# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-11T15:08:29+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2004 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1100111","7.13566","","10.3924","","9.24771","","90","","92.9905","","90","","684.85","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B12 H12 N2 O12 -","- B12 H12 N2 O12 -","- B24 H24 N4 O24 -","2","0.5","","Daniel J. Stasko; Kevin J. Perzynski; Mark A. Wasil; Julia K. Brodbeck; Kristin Kirschbaum; Yong Wah Kim; Cora Lind","An Addition to the Oxoacid Family: H2B12(OH)12","Inorganic Chemistry","2004","43","","3786","3788","10.1021/ic049564k","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1100119","7.6996","0.0016","8.838","0.002","12.197","0.004","105.87","0.02","97.74","0.03","106.317","0.015","745.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[HN(CH2CH2NH3)3].(Al2F10).H2O","","","- C6 H24 Al2 F10 N4 O -","- C6 H24 Al2 F10 N4 O -","- C12 H48 Al4 F20 N8 O2 -","2","1","","K. Adil; M. Leblanc; V. Maisonneuve","[H~4~tren].(Al~2~F~10~).H~2~O","Acta Crystallographica, Section E","2004","60","10","m1379","m1381","10.1107/S1600536804020203","","","0.71069","MoKα","","0.0749","0.0432","","","0.1075","0.1233","","","","","","1.053","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100139","11.3215","0.001","11.908","0.002","16.4596","0.0014","71.538","0.017","71.675","0.007","78.681","0.013","1986.6","0.5","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H37 Au Br4 N12 O9 -","- C27 H30 Au Br4 N12 O9 -","- C54 H60 Au2 Br8 N24 O18 -","2","1","","Esther R. Acuna-Cueva; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros","","Structural Chemistry","2004","15","","159","163","10.1023/B:STUC.0000011250.33484.84","","","0.71073","MoKα","","0.1194","0.089","","","0.2346","0.2771","","","","","","1.017","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100152","19.666","0.002","11.7586","0.0008","13.4808","0.0009","90","","103.69","0.008","90","","3028.8","0.5","295","1","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(2,2'-biimidazole)copper(II) perchlorate bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one","","- C22 H20 Cl2 Cu N16 O10 -","- C22 H20 Cl2 Cu N16 O10 -","- C88 H80 Cl8 Cu4 N64 O40 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","Structure of the adduct of bis(2,2'biimidazole)copper(II) perchlorate with 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one","Journal of Chemical Crystallography","2004","34","8","549","552","10.1023/B:JOCC.0000042024.70444.a0","","","0.71073","MoKα","","0.1388","0.0806","","","0.1905","0.2456","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100156","9.17","0.003","10.936","0.003","12.717","0.004","106.91","0.007","110.208","0.006","90.172","0.007","1137.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 Ni O6 -","- C22 H22 N4 Ni O6 -","- C44 H44 N8 Ni2 O12 -","2","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1784","0.0541","","","0.0629","0.0816","","","","","","0.644","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100157","9.2191","0.0011","29.972","0.004","12.5644","0.0015","90","","94.428","0.003","90","","3461.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 N6 Ni O6 -","- C37 H34 N6 Ni O6 -","- C148 H136 N24 Ni4 O24 -","4","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.2271","0.1056","","","0.1633","0.2022","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100158","5.528","0.002","7.267","0.003","13.626","0.005","75.045","0.005","85.826","0.006","75.613","0.007","512.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 Cu N2 O6 -","- C7 H10 Cu N2 O6 -","- C14 H20 Cu2 N4 O12 -","2","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0965","0.0675","","","0.1157","0.1259","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100159","5.422","0.003","13.436","0.007","17","0.009","90","","92.324","0.011","90","","1237.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu N2 O6 -","- C9 H14 Cu N2 O6 -","- C36 H56 Cu4 N8 O24 -","4","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.2235","0.0495","","","0.0686","0.0926","","","","","","0.753","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100160","9.6623","0.0015","17.63","0.003","9.7978","0.0016","90","","118.748","0.003","90","","1463.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 Cu N2 O6 -","- C11 H18 Cu N2 O6 -","- C44 H72 Cu4 N8 O24 -","4","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1503","0.0448","","","0.0511","0.0634","","","","","","0.694","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1100161","20.4557","0.0018","10.4408","0.0009","15.0918","0.0013","90","","90","","90","","3223.2","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H19 N4 O6.5 Zn -","- C12 H18 N4 O6.5 Zn -","- C96 H144 N32 O52 Zn8 -","8","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1021","0.0401","","","0.0869","0.0986","","","","","","0.924","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100162","10.7634","0.0009","10.7634","0.0009","16.442","0.003","90","","90","","90","","1904.8","0.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N4 O6 Zn -","- C14 H22 N4 O6 Zn -","- C56 H88 N16 O24 Zn4 -","4","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0369","0.0326","","","0.0809","0.0828","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100163","12.9507","0.0017","9.0191","0.0011","22.209","0.003","90","","119.763","0.006","90","","2251.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N12 O6 Zn -","- C46 H46 N12 O6 Zn -","- C92 H92 N24 O12 Zn2 -","2","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1162","0.0621","","","0.1005","0.1152","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100164","19.392","0.007","8.477","0.003","11.412","0.004","90","","111.795","0.007","90","","1741.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 Ni O6 -","- C14 H22 N4 Ni O6 -","- C56 H88 N16 Ni4 O24 -","4","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0409","0.0317","","","0.0663","0.0691","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100165","7.543","0.0008","13.1384","0.0012","17.2599","0.001","90","","90","","90","","1710.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaqua bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one-N3)zinc(II) tetrah","","- C10 H18 N8 O8 Zn -","- C10 H18 N8 O8 Zn -","- C40 H72 N32 O32 Zn4 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","743","747","10.1016/j.poly.2003.11.052","","","0.71073","MoKα","","0.1402","0.0872","","","0.2186","0.276","","","","","","1.025","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100166","17.417","0.003","21.402","0.004","11.298","0.002","90","","117.15","0.03","90","","3747.4","1.2","546","2","546","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44.75 H32 Ag O2 P2 -","- C44.82 H32 Ag O2 P2 -","- C179.28 H128 Ag4 O8 P8 -","4","0.5","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.0963","0.094","","","0.3306","0.3336","","","","","","1.587","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100169","12.864","0.002","14.634","0.002","30.703","0.003","90","","90","","90","","5779.7","1.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Tetrakis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3,N4) dipalladium(II) tetrahydrate","","- C20 H20 N16 O8 Pd2 -","- C20 H12 N16 O8 Pd2 -","- C160 H96 N128 O64 Pd16 -","8","1","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.0857","0.0765","","","0.1864","0.1972","","","","","","1.256","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100170","19.688","0.012","14.219","0.012","14.448","0.006","90","","110.02","0.04","90","","3800","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3-N4) bis(phenanthroline)dipalladium(II) nitrate tetrahydrate","","- C34 H30 N14 O12 Pd2 -","- C34 H22 N14 O12 Pd2 -","- C136 H88 N56 O48 Pd8 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.1484","0.0793","","","0.192","0.2325","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100171","10.2842","0.0015","18.92","0.003","18.45","0.003","90","","104.117","0.01","90","","3481.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3,N4) bis(trans-diaminociclohexane) dipalladium(II) nitrate tetrahydrate","","- C22 H40 N14 O11 Pd2 -","- C22 H34 N14 O11 Pd2 -","- C88 H136 N56 O44 Pd8 -","4","1","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.0604","0.0487","","","0.1171","0.1238","","","","","","1.136","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1100172","10.432","0.0003","5.645","0.0002","16.783","0.0002","90","","94.943","0.003","90","","984.65","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Phynylglycinium nitrate","D-Phenylglycinium nitrate","","- C8 H10 N2 O5 -","- C8 H10 N2 O5 -","- C32 H40 N8 O20 -","4","2","","Bouchouit, Karim; Bendheif, Leulmi; Benali-Cherif, Nouredine","D-Phenylglycinium nitrate","Acta Crystallographica, Section E","2004","60","","o272","o274","10.1107/S1600536804000972","","","0.71073","MoKα","","0.0858","0.0563","","","0.116","0.1381","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100688","18.381","0.004","6.1799","0.0012","6.1865","0.0012","90","","90","","90","","702.7","0.2","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","2,3-bis(4-methylphenyl)tetrazolidine-5-thione","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C30 H32 N8 S2 -","2","0.5","","Zhao, Pu Su; Jian, Fang Fang; Xiao, Hai Lian; Hou, Yu Xia","A Novel Synthesis and Crystal Structure of 2,3-Substituted-1,4-2H-tetrazolthione","Bulletin of the Korean Chemical Society","2004","25","12","1935","1936","10.5012/bkcs.2004.25.12.1935","","","0.71073","MoKα","","0.1207","0.1089","","","0.3064","0.3127","","","","","","1.219","","","","has coordinates","176838","2020-10-21","18:00:00",""
"1100690","7.733","0.003","10.511","0.002","7.715","0.002","98.17","0.02","109.89","0.02","82.79","0.02","581.7","0.3","296.2","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H32 N4 O16 P4 -","- C8 H32 N4 O16 P4 -","- C8 H32 N4 O16 P4 -","1","0.5","","Hemissi, Hanène; Abid, Sonia; Rzaigui, Mohamed","Structural Characterization of a New Organic Cyclotetraphosphate, [C~4~H~8~N~2~H~4~]~2~P~4~O~12~·4H~2~O","Analytical Sciences: X-ray Structure Analysis Online","2004","20","","x1","x2","10.2116/analscix.20.x1","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","134161","2020-10-21","18:00:00",""
"1100691","11.082","0.003","35.856","0.008","12.135","0.003","90","","106.04","0.02","90","","4634","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrakis(N,N-dimethyl,N'-phenylthiourea-S)cadmium(II)diperchlorate","","- C36 H48 Cd Cl2 N8 O8 S4 -","- C36 H48 Cd Cl2 N8 O8 S4 -","- C144 H192 Cd4 Cl8 N32 O32 S16 -","4","1","","Cherni, Saoussen Namouchi; Samba, Mohamadou; Dachraoui, Mohamed","Crystal Structure of Tetrakis(N,N-dimethyl, N'-phenylthiourea-S) cadmium(II) diperchlorate [Cd((CH~3~)~2~NCSNHPh)~4~](ClO~4~)~2~","Analytical Sciences: X-ray Structure Analysis Online","2004","20","","x3","x4","10.2116/analscix.20.x3","","","0.71073","MoKα","","0.0981","0.0496","","","0.118","0.1515","","","","","","1.024","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100692","6.985","0.002","9.045","0.002","10.256","0.003","111.87","0.02","104.25","0.02","102","0.02","549.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","hexapotassium dibismuth diphosphate","","- Bi2 K6 O21 P6 -","- Bi2 K6 O21 P6 -","- Bi2 K6 O21 P6 -","1","1","","Falah, Chiraz; Boughzala, Habib; Jouini, Tahar","Preparation and the Crystal Structure of Non-centrosymmetric K~6~Bi~2~(P~2~O~7~)~3~","Analytical Sciences: X-ray Structure Analysis Online","2004","20","","x17","x18","10.2116/analscix.20.x17","","","0.71073","MoKα","","0.077","0.0732","","","0.1715","0.1753","","","","","","1.053","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100873","12.6218","0.0005","13.3776","0.0005","14.3654","0.0005","92.678","0.001","91.051","0.001","109.958","0.001","2275.91","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 O13 P Pt Ru5 -","- C38 H42 O13 P Pt Ru5 -","- C76 H84 O26 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0578","0.0454","","","0.1139","0.1227","","","","","","1.037","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1101169","44.567","0.01","25.766","0.007","20.626","0.005","90","","104.526","0.014","90","","22928","9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Al13)2(V2W4)3","","","- Al13 O82.1 V3 W5.98 -","- Al13 O82.08 V3 W5.977 -","- Al104 O656.64 V24 W47.816 -","8","1","","Jung-Ho Son; Young-Uk Kwon","Crystal Engineering through Face Interactions between Tetrahedral and Octahedral Building Blocks: Crystal Structure of [ε-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O","Inorganic Chemistry","2004","43","","1929","1932","10.1021/ic035278h","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501599","11.8715","0.0003","11.8715","0.0003","40.004","0.002","90","","90","","90","","5637.9","0.3","226","2","226","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C109 H180 N24 O20 -","- C109 H180 N24 O20 -","- C218 H360 N48 O40 -","2","0.25","","Danielle Boils; Marie-Eve Perron; Francis Monchamp; Hugues Duval; Thierry Maris; James D. Wuest","Molecular Tectonics. Disruption of Self-Association in Melts Derived from Hydrogen-Bonded Solids","Macromolecules","2004","37","","7351","7357","10.1021/ma035977d","","","1.54178","CuKα","","0.0876","0.0868","","","0.2183","0.2195","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501609","11.649","0.0001","11.4547","0.0001","20.5132","0.0001","90","","95.89","","90","","2722.74","0.04","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 N4 S4 -","- C29 H16 N4 S4 -","- C116 H64 N16 S16 -","4","1","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.0711","0.0609","","","0.1727","0.181","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501610","24.9135","0.0008","24.9135","0.0008","7.1597","0.0002","90","","90","","90","","4443.9","0.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I -4","I -4","82","","","","- C45 H56 N4 O10 -","- C45 H56 N4 O10 -","- C180 H224 N16 O40 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1304","0.0688","","","0.1599","0.1795","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501611","17.7781","0.0002","17.7781","0.0002","7.1904","0.0001","90","","90","","90","","2272.6","0.05","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 42/n :2","-P 4bc","86","","","","- C44 H56 N4 O12 Si -","- C44 H56 N4 O12 Si -","- C88 H112 N8 O24 Si2 -","2","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.0879","0.0724","","","0.2024","0.216","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501612","17.2392","0.0003","17.2392","0.0003","17.3495","0.0003","90","","90","","90","","5156.1","0.16","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41","I 4bw","80","","","","- C47 H64 N8 O8 -","- C47 H60 N8 O8 -","- C188 H240 N32 O32 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1357","0.1089","","","0.2813","0.3059","","","","","","1.265","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501613","17.7201","0.0006","17.7201","0.0006","16.0845","0.0007","90","","90","","90","","5050.6","0.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41","I 4bw","80","","","","- C55 H80 N4 O8 -","- C48 H56 N4 O8 -","- C192 H224 N16 O32 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1946","0.1022","","","0.2493","0.2888","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501614","17.281","0.002","17.281","0.002","20.591","0.002","90","","90","","90","","6149.2","1.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4 21 c","P -4 2n","114","","","","- C53 H80 N8 O16 y -","- C61 H83.84 N8 O8 S2 -","- C244 H335.36 N32 O32 S8 -","4","0.5","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks","Can. J. Chem.","2004","82","","386","398","10.1139/v03-208","","","1.54178","CuKα","","0.1589","0.0989","","","0.2505","0.2721","","","","","","1.249","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506794","7.8919","0.0016","14.421","0.003","23.706","0.005","90","","96.36","0.03","90","","2681.4","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 O11 P2 -","- C23 H30 O11 P2 -","- C92 H120 O44 P8 -","4","1","","Chen, Xiao-Lan; Qu, Ling-Bo; Zhang, Ting; Liu, Hong-Xia; Yu, Fei; Yu, Youzhu; Liao, Xincheng; Zhao, Yu-Fen","The nature of phosphorylated chrysin-protein interactions involved in noncovalent complex formation by electrospray ionization mass spectroscopy.","Analytical chemistry","2004","76","1","211","217","10.1021/ac035027q","","","0.71073","MoKα","","0.1034","0.0669","","","0.1736","0.1911","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506795","6.1115","0.0013","13.323","0.003","8.8714","0.0019","90","","93.246","0.004","90","","721.2","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C28 H38 N2 O8 S2 -","2","1","","Kawulka, Karen E.; Sprules, Tara; Diaper, Christopher M.; Whittal, Randy M.; McKay, Ryan T.; Mercier, Pascal; Zuber, Peter; Vederas, John C.","Structure of subtilosin A, a cyclic antimicrobial peptide from Bacillus subtilis with unusual sulfur to alpha-carbon cross-links: formation and reduction of alpha-thio-alpha-amino acid derivatives.","Biochemistry","2004","43","12","3385","3395","10.1021/bi0359527","","","0.71073","MoKα","","0.0561","0.0483","","","0.1151","0.1187","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506796","13.4948","0.0019","13.8511","0.0019","23.133","0.003","93.354","0.003","100.455","0.003","119.018","0.002","3664","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 F12 N5 O2 P2 -","- C21 H17 F12 N5 O2 P2 -","- C126 H102 F72 N30 O12 P12 -","6","3","","Phillips, Tim; Haq, Ihtshamul; Meijer, Anthony J. H. M.; Adams, Harry; Soutar, Ian; Swanson, Linda; Sykes, Matthew J.; Thomas, Jim A.","DNA binding of an organic dppz-based intercalator.","Biochemistry","2004","43","43","13657","13665","10.1021/bi049146r","","","0.71073","MoKα","","0.1555","0.0919","","","0.2502","0.2958","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506797","4.5905","0.0012","12.887","0.004","25.03","0.007","90","","95.149","0.006","90","","1474.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C76 H56 N16 O4 -","4","1","","Phillips, Tim; Haq, Ihtshamul; Meijer, Anthony J. H. M.; Adams, Harry; Soutar, Ian; Swanson, Linda; Sykes, Matthew J.; Thomas, Jim A.","DNA binding of an organic dppz-based intercalator.","Biochemistry","2004","43","43","13657","13665","10.1021/bi049146r","","","0.71073","MoKα","","0.1281","0.0792","","","0.2028","0.2402","","","","","","0.936","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506798","10.135","0.002","17.391","0.004","20.788","0.004","90","","98.25","0.03","90","","3626.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Al N2 O2 -","- C37 H57 Al N2 O2 -","- C148 H228 Al4 N8 O8 -","4","1","","Tang, Zhaohui; Chen, Xuesi; Pang, Xuan; Yang, Yongkun; Zhang, Xuefei; Jing, Xiabin","Stereoselective Polymerization ofrac-Lactide Using a Monoethylaluminum Schiff Base Complex","Biomacromolecules","2004","5","3","965","","10.1021/bm034467o","","","0.71073","MoKα","","0.1068","0.0524","","","0.1144","0.1232","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506799","11.3899","0.0008","12.0714","0.0008","17.4959","0.0011","87.675","0.001","72.756","0.001","65.371","0.001","2078.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4,6-Diphenyl-3,4-dihydro-1H-pyrimidine-2-thione","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C96 H84 N12 S6 -","6","3","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.1408","0.0464","","","0.0831","0.101","","","","","","0.74","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506800","12.7346","0.0017","6.0351","0.0008","16.4","0.002","90","","99.31","0.003","90","","1243.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)-5,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0698","0.055","","","0.1306","0.1393","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506801","5.2746","0.0003","16.1821","0.0008","20.485","0.001","90","","90","","90","","1748.48","0.16","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Methoxyphenyl)-2,6-diphenylpyrimidine","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0576","0.0492","","","0.1266","0.1313","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506802","8.11","0.0006","17.9243","0.0014","21.3183","0.0016","90","","90","","90","","3099","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,6-dimethyl-2-phenylpyrimidine","","- C14 H12 N4 O4 S -","- C14 H12 N4 O4 S -","- C112 H96 N32 O32 S8 -","8","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0678","0.0499","","","0.1203","0.1284","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506803","4.3791","0.0005","9.2158","0.0011","26.681","0.003","90","","92.748","0.002","90","","1075.5","0.2","243","2","243","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","resveratrol","trans [2,5,4'-trihydroxydiphenyl] ethylene","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Caruso, Francesco; Tanski, Joseph; Villegas-Estrada, Adriel; Rossi, Miriam","Structural basis for antioxidant activity of trans-resveratrol: ab initio calculations and crystal and molecular structure.","Journal of agricultural and food chemistry","2004","52","24","7279","7285","10.1021/jf048794e","","","0.71073","MoKα","","0.1355","0.0602","","","0.1298","0.1509","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506804","9.907","0.0004","10.077","0.0003","19.678","0.0004","90","","90","","90","","1964.51","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F N2 O3 -","- C19 H27 F N2 O3 -","- C76 H108 F4 N8 O12 -","4","1","","Saitton, Stina; Del Tredici, Andria L.; Mohell, Nina; Vollinga, Roeland C.; Boström, Dan; Kihlberg, Jan; Luthman, Kristina","Design, synthesis and evaluation of a PLG tripeptidomimetic based on a pyridine scaffold.","Journal of medicinal chemistry","2004","47","26","6595","6602","10.1021/jm049484q","","x-ray","0.71073","MoKα","","0.0668","0.0423","","","0.0862","0.0939","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506805","9.0694","0.0007","22.47","0.0012","8.1591","0.0006","90","","97.872","0.009","90","","1647.1","0.2","173","2","173","1","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","4-(but-1-enyl)-2,6-dimethoxyphenylpiridine-3-carboxylate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Grabowski, Sławomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin","Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives","The Journal of Physical Chemistry B","2004","108","6","1831","","10.1021/jp0351829","","","0.71073","MoKα","","0.0485","0.0325","","","0.0801","0.0851","","","","","","0.915","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506806","8.9277","0.0006","23.583","0.001","8.1672","0.0005","90","","98.186","0.008","90","","1702.02","0.17","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(pent-1-enyl)-2,6-dimethoxyphenylpiridine-3-carboxylate","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Grabowski, Sławomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin","Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives","The Journal of Physical Chemistry B","2004","108","6","1831","","10.1021/jp0351829","","","0.71073","MoKα","","0.0682","0.0555","","","0.1545","0.1633","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506807","13.147","0.001","8.9501","0.0009","12.378","0.001","90","","108.09","0.002","90","","1384.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","01392","Lithium perchlorate monoglyme (1:2)","","- C8 H20 Cl Li O8 -","- C8 H20 Cl Li O8 -","- C32 H80 Cl4 Li4 O32 -","4","0.5","","Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G.","LiClO4Electrolyte Solvate Structures","The Journal of Physical Chemistry A","2004","108","1","225","","10.1021/jp035836d","","","0.71073","MoKα","","0.0332","0.0301","","","0.0831","0.0854","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506808","31.229","0.004","12.075","0.002","15.127","0.002","90","","90","","90","","5704.2","1.4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","01358","Lithium perchlorate diglyme (1:2)","","- C12 H28 Cl Li O10 -","- C12 H28 Cl Li O10 -","- C144 H336 Cl12 Li12 O120 -","12","1.5","","Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G.","LiClO4Electrolyte Solvate Structures","The Journal of Physical Chemistry A","2004","108","1","225","","10.1021/jp035836d","","","0.71073","MoKα","","0.0621","0.04","","","0.0973","0.1133","","","","","","1.023","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1506809","13.515","0.003","11.858","0.003","10.593","0.003","90","","90","","90","","1697.6","0.7","297.2","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H19 N4 O2 -","- C18 H19 N4 O2 -","- C72 H76 N16 O8 -","4","1","","Nagashima, Hideaki; Inoue, Hidenari; Yoshioka, Naoki","An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal: The Role of the Hydrogen Bond.","The journal of physical chemistry. B","2004","108","20","6144","6151","10.1021/jp035849r","","","0.71073","MoKα","","","0.041","","","","0.082","","","","","","0.83","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506810","13.181","0.002","13.563","0.001","14.545","0.002","91.87","0.01","96.19","0.01","110.94","0.01","2407.3","0.6","145","2","145","2","","","","","","","2-methyl imidazole, pentane","5","P -1","-P 1","2","","","","- C46 H54 N14 Ni O8 -","- C46 H54 N14 Ni O8 -","- C92 H108 N28 Ni2 O16 -","2","1","","Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack","Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins","The Journal of Physical Chemistry B","2004","108","7","2173","","10.1021/jp036398d","","","0.9398","synchrotron","","0.0657","0.0498","","0.1323","","0.1138","","","1.063","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506811","14.351","0.002","22.677","0.002","15.373","0.002","90","","103.05","0.01","90","","4873.7","1","100","2","100","2","","","","","","","methylene chloride, pentane","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 N14 Ni O8 -","- C49 H55 N13 Ni O8 -","- C196 H220 N52 Ni4 O32 -","4","1","","Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack","Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins","The Journal of Physical Chemistry B","2004","108","7","2173","","10.1021/jp036398d","","","0.91","synchrotron","","0.0639","0.0578","","0.1627","","0.1566","","","1.07","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506812","12.795","0.002","13.686","0.002","15.496","0.002","107.75","0.01","104.22","0.01","106.73","0.02","2303.7","0.7","107","2","107","2","","","","","","","methylene chloride/pentane","6","P -1","-P 1","2","","","","- C43 H50 Cl2 N12 Ni O8 -","- C43 H50 Cl2 N12 Ni O8 -","- C86 H100 Cl4 N24 Ni2 O16 -","2","1","","Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack","Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins","The Journal of Physical Chemistry B","2004","108","7","2173","","10.1021/jp036398d","","","0.9391","synchrotron","","0.0881","0.0716","","0.1997","","0.1809","","","1.082","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506813","18.917","0.002","23.658","0.002","12.853","0.001","90","","105.1","0.01","90","","5553.6","0.9","293","2","293","2","","","","","","","methylene chloride/pentane","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 N14 Ni O8 Se3 -","- C54 H48 N14 Ni O8 Se3 -","- C216 H192 N56 Ni4 O32 Se12 -","4","1","","Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack","Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins","The Journal of Physical Chemistry B","2004","108","7","2173","","10.1021/jp036398d","","","1.54178","CuKα","","0.1418","0.1017","","","0.2822","0.3293","","","1.045","","","1.117","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506814","9.4889","0.0009","8.3221","0.0006","7.718","0.0005","90","","90","","90","","609.47","0.08","233","2","233","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H5 Cl2 N O -","- C3 H5 Cl2 N O -","- C12 H20 Cl8 N4 O4 -","4","0.5","","Hinchley, Sarah L.; Robertson, Heather E.; McLachlan, Lorna J.; Morrison, Carole A.; Rankin, David W. H.; Simpson, Stephen J.; Thomas, Emrys W.","Conformational Analysis with Both Experimental and Computational Data for Both Gaseous and Crystalline Phases: Unexpected Interactions inN-Methyldichloroacetamide","The Journal of Physical Chemistry A","2004","108","1","185","","10.1021/jp036478h","","","0.71073","MoKα","","0.0437","0.0328","","0.0881","0.082","","","","1.07","1.106","1.106","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506815","7.252","0.0015","22.588","0.005","13.668","0.003","90","","103.53","0.03","90","","2176.8","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C80 H64 N32 S8 -","8","2","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.","Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†","The Journal of Physical Chemistry B","2004","108","25","8531","","10.1021/jp0367528","","","0.71073","MoKα","","0.2058","0.0655","","","0.154","0.2022","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506816","6.631","0.0013","28.084","0.006","7.325","0.0015","90","","90.12","0.03","90","","1364.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N5 S -","- C12 H11 N5 S -","- C48 H44 N20 S4 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.","Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†","The Journal of Physical Chemistry B","2004","108","25","8531","","10.1021/jp0367528","","","0.71073","MoKα","","0.2457","0.079","","","0.1927","0.2639","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506817","6.894","0.0014","12.355","0.003","13.064","0.003","90","","102.27","0.03","90","","1087.3","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C40 H32 N16 S4 -","4","2","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.","Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†","The Journal of Physical Chemistry B","2004","108","25","8531","","10.1021/jp0367528","","","0.71073","MoKα","","0.1666","0.0765","","","0.215","0.2714","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506818","24.447","0.005","40.453","0.008","3.815","0.0008","90","","90","","90","","3772.9","1.3","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H7 N4 O1.5 -","- C9 H7 N4 O1.5 -","- C144 H112 N64 O24 -","16","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.","Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†","The Journal of Physical Chemistry B","2004","108","25","8531","","10.1021/jp0367528","","","0.71073","MoKα","","0.0675","0.0519","","","0.1209","0.1307","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506819","10.208","0.002","22.983","0.005","5.041","0.001","90","","90","","90","","1182.7","0.4","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.","Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†","The Journal of Physical Chemistry B","2004","108","25","8531","","10.1021/jp0367528","","","0.71073","MoKα","","0.087","0.0419","","","0.1034","0.1213","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506820","8.437","0.0017","11.525","0.002","16.874","0.003","90","","101.16","0.03","90","","1609.7","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N5 -","- C19 H15 N5 -","- C76 H60 N20 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V.","Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials†","The Journal of Physical Chemistry B","2004","108","25","8531","","10.1021/jp0367528","","","0.71073","MoKα","","0.2611","0.0645","","","0.134","0.1852","","","","","","0.972","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506821","11.8218","0.001","17.0636","0.0015","18.9362","0.0016","90","","98.624","0.002","90","","3776.7","0.6","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H43 Fe2 N6 O4 S2 -","- C36 H43 Fe2 N6 O4 S2 -","- C144 H172 Fe8 N24 O16 S8 -","4","2","","Bediako-Amoa, Irene; Sutherland, Todd C.; Li, Chen-Zhong; Silerova, Roberta; Kraatz, Heinz-Bernhard","Electrochemical and Surface Study of Ferrocenoyl Oligopeptides","The Journal of Physical Chemistry B","2004","108","2","704","","10.1021/jp0368785","","","0.71073","MoKα","","0.1244","0.0839","","","0.1855","0.2056","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506822","10.411","0.001","13.338","0.001","21.948","0.001","90","","90","","90","","3047.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrafluoroisophthalonitrile","2,4,5,6-tetrafluoro-1,3-benzenedicarbonitrile","","- C16 F8 N4 -","- C16 F8 N4 -","- C128 F64 N32 -","8","1","","Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B.","Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile","The Journal of Physical Chemistry B","2004","108","11","3663","","10.1021/jp037700l","","","0.7107","MoKα","","0.031","0.031","","","","","","","","","","0.58","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506823","5.655","0.001","10.644","0.001","12.35","0.001","90","","90","","90","","743.37","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","tetrafluorophthalonitrile","3,4,5,6-tetrafluoro-1,2-benzenedicarbonitrile","","- C8 F4 N2 -","- C8 F4 N2 -","- C32 F16 N8 -","4","1","","Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B.","Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile","The Journal of Physical Chemistry B","2004","108","11","3663","","10.1021/jp037700l","","","0.7107","MoKα","","0.031","0.031","","","","","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506824","12.049","0.002","13.986","0.003","18.529","0.004","96.74","0.03","104.78","0.03","90.23","0.03","2996.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 N3 O3.5 P0.5 Tb0.5 -","- C33 H36 N3 O3.5 P0.5 Tb0.5 -","- C132 H144 N12 O14 P2 Tb2 -","4","2","","Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui","The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes","The Journal of Physical Chemistry B","2004","108","30","10796","","10.1021/jp037816h","","","0.71073","MoKα","","0.0583","0.0464","","","0.1199","0.1299","","","","","","1.067","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506825","12.8867","0.0017","13.9288","0.0015","19.09","0.003","69.13","0.01","77.076","0.008","65.411","0.004","2899.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H66 Cl3 N8 O6 Tb -","- C61 H66 Cl3 N8 O6 Tb -","- C122 H132 Cl6 N16 O12 Tb2 -","2","1","","Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui","The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes","The Journal of Physical Chemistry B","2004","108","30","10796","","10.1021/jp037816h","","","0.71073","MoKα","","0.1281","0.0594","","","0.091","0.1023","","","","","","0.761","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506826","15.4491","0.0005","23.7237","0.0007","15.08","0.0005","90","","118.064","0.001","90","","4877.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 N6 O7 Tb -","- C48 H58 N6 O7 Te -","- C192 H232 N24 O28 Te4 -","4","1","","Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui","The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes","The Journal of Physical Chemistry B","2004","108","30","10796","","10.1021/jp037816h","","","0.71073","MoKα","","0.1218","0.0494","","","0.116","0.1245","","","","","","0.831","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506827","8.8436","0.0018","5.3476","0.0011","18.839","0.004","90","","99.62","0.03","90","","878.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N O3 -","- C9 H10 N O3 -","- C36 H40 N4 O12 -","4","1","","Jian, Fang F.; Zhao, Pu S.; Yu, Qing; Wang, Qing X.; Jiao, Kui","Density Functional Calculations, Synthesis, and Characterization on Two Novel Quadruple Hydrogen-Bonded Supramolecular Complexes","The Journal of Physical Chemistry A","2004","108","24","5258","","10.1021/jp037926o","","","0.71073","MoKα","","0.0801","0.0511","","","0.1456","0.1584","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506828","10.4104","0.0005","9.5076","0.0005","26.2207","0.0013","90","","95.623","0.001","90","","2582.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 B N O2 -","- C33 H28 B N O2 -","- C132 H112 B4 N4 O8 -","4","1","","Yu, Jen-Kan; Cheng, Yi-Ming; Hu, Ya-Hui; Chou, Pi-Tai; Chen, Yao-Lun; Lee, Shin-Wun; Chi, Yun","Probing Triplet State Properties of Organic Chromophores via Design and Synthesis of Os(II)-Diketonate Complexes: The Triplet State Intramolecular Charge Transfer","The Journal of Physical Chemistry B","2004","108","52","19908","","10.1021/jp0453111","","","0.71073","MoKα","","0.1585","0.0848","","","0.1898","0.2356","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506829","6.0381","0.0034","5.351","0.0012","8.359","0.0056","90","","90","","90","","270.1","0.2","295","2","295","2","","","","","","","","2","C m c a","-C 2ac 2","64","","carbon disulfide","","- C S2 -","- C S2 -","- C4 S8 -","4","","","Dziubek, Kamil F.; Katrusiak, Andrzej","Compression of Intermolecular Interactions in CS2Crystal","The Journal of Physical Chemistry B","2004","108","50","19089","","10.1021/jp0458250","","","0.71073","MoKα","","0.0337","0.0257","","","0.0486","0.0519","","","","","","1.21","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506830","5.8154","0.004","5.215","0.0015","8.0463","0.0058","90","","90","","90","","244","0.3","293","2","295","2","","","","","","","","2","C m c a","-C 2ac 2","64","","carbon disulfide","","- C S2 -","- C S2 -","- C4 S8 -","4","","","Dziubek, Kamil F.; Katrusiak, Andrzej","Compression of Intermolecular Interactions in CS2Crystal","The Journal of Physical Chemistry B","2004","108","50","19089","","10.1021/jp0458250","","","0.71073","MoKα","","0.0918","0.0738","","","0.184","0.1982","","","","","","1.349","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506831","6.978","0.0001","14.5287","0.001","20.0342","0.0011","78.023","0.008","75.2","0.02","78","0.02","1895","0.3","193.1","","","","","","","","","","","4","P -1","-P 1","2","","4-Amino-1-[3-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-benzyl]-1H-pyrimidin-2-one","","- C18 H22 N5 O3 -","- C18 H22 N5 O3 -","- C72 H88 N20 O12 -","4","2","","Shiomi, Daisuke; Nozaki, Mikito; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Cytosine-Substituted Nitronylnitroxide Radical: A Key Component for Bio-Inspired Molecule-Based Magnetics","The Journal of Physical Chemistry B","2004","108","43","16606","","10.1021/jp046621m","","","0.7107","MoKα","","","0.121","","","","0.207","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506832","10.8932","0.0001","11.2079","0.0001","6.8424","0.0001","104.969","0.0006","101.473","0.0008","83.805","0.0003","789.501","0.016","301","","301","","","","","","","","","5","P -1","-P 1","2","melaminium pyrophosphate","bis(2,4,6-triamino-1,3,5-triazinium) pyrophosphate","","- C6 H16 N12 O7 P2 -","- C6 H16 N12 O7 P2 -","- C12 H32 N24 O14 P4 -","2","1","","Brodski, Vladimir; Peschar, René; Schenk, Henk; Brinkmann, Andreas; van Eck, Ernst R. H.; Kentgens, Arno P. M.; Coussens, Betty; Braam, Ad","Structure of Melaminium Dihydrogenpyrophosphate and Its Formation from Melaminium Dihydrogenphosphate Studied with Powder Diffraction Data, Solid-State NMR, and Theoretical Calculations","The Journal of Physical Chemistry B","2004","108","39","15069","","10.1021/jp047625u","powder diffraction","","0.79942","synchrotron","","","","","","","","","","6.71","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506833","5.4385","0.001","6.3885","0.001","8.6809","0.001","98.381","0.005","107.406","0.005","105.573","0.005","268.72","0.07","100","1","100","1","","","","","","","","4","P -1","-P 1","2","2,3,5,6-pyrazinetetracarboxylic acid dihydrate","2,3,5,6-pyrazinetetracarboxylic acid dihydrate","","- C8 H8 N2 O10 -","- C8 H7.956 N2 O10 -","- C8 H7.956 N2 O10 -","1","0.5","","Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.","Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array","The Journal of Physical Chemistry A","2004","108","43","9406","","10.1021/jp0476848","","neutron","0.8397","neutron","","0.0271","0.0233","","","0.0447","0.046","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506834","5.4606","0.001","6.4133","0.001","8.7164","0.001","98.962","0.005","107.408","0.005","105.348","0.005","271.57","0.07","200","1","200","1","","","","","","","","4","P -1","-P 1","2","2,3,5,6-pyrazinetetracarboxylic acid dihydrate","2,3,5,6-pyrazinetetracarboxylic acid dihydrate","","- C8 H8 N2 O10 -","- C8 H7.952 N2 O9.992 -","- C8 H7.952 N2 O9.992 -","1","0.5","","Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.","Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array","The Journal of Physical Chemistry A","2004","108","43","9406","","10.1021/jp0476848","","neutron","0.8397","neutron","","0.0237","0.0206","","","0.0464","0.0481","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506835","5.4361","0.001","6.3699","0.001","8.6672","0.001","97.911","0.005","107.546","0.005","105.718","0.005","267.48","0.07","20","1","20","1","","","","","","","","4","P -1","-P 1","2","2,3,5,6-pyrazinetetracarboxylic acid dihydrate","2,3,5,6-pyrazinetetracarboxylic acid dihydrate","","- C8 H8 N2 O10 -","- C8 H7.92 N2 O9.998 -","- C8 H7.92 N2 O9.998 -","1","0.5","","Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.","Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array","The Journal of Physical Chemistry A","2004","108","43","9406","","10.1021/jp0476848","","neutron","0.8397","neutron","","0.0213","0.0198","","","0.0434","0.0439","","","","","","1.222","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506836","5.495","0.001","6.441","0.001","8.767","0.001","99.393","0.006","107.565","0.007","105.174","0.007","275.44","0.08","293","1","293","1","","","","","","","","4","P -1","-P 1","2","2,3,5,6-pyrazinetetracarboxylic acid dihydrate","2,3,5,6-pyrazinetetracarboxylic acid dihydrate","","- C8 H8 N2 O10 -","- C8 H7.974 N2 O10 -","- C8 H7.974 N2 O10 -","1","0.5","","Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.","Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array","The Journal of Physical Chemistry A","2004","108","43","9406","","10.1021/jp0476848","","neutron","0.8397","neutron","","0.0253","0.0219","","","0.0453","0.0468","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506837","5.347","0.0002","13.0286","0.0004","11.7443","0.0004","90","","99.036","0.001","90","","808","0.05","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3-Pyrazine dicarboxylic acid dihydrate","2,3-Pyrazine dicarboxylic acid dihydrate","","- C6 H8 N2 O6 -","- C6 H8 N2 O6 -","- C24 H32 N8 O24 -","4","0.5","","Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.","Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array","The Journal of Physical Chemistry A","2004","108","43","9406","","10.1021/jp0476848","","","0.71073","MoKα","","0.032","0.0295","","","0.0838","0.0871","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506838","5.283","0.0003","6.6497","0.0003","13.8423","0.0007","93.064","0.002","90.513","0.002","103.009","0.002","473.02","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2,3,5-Pyrazine tricarboxylic acid dihydrate","2,3,5-Pyrazine tricarboxylic acid dihydrate","","- C7 H8 N2 O8 -","- C7 H8 N2 O8 -","- C14 H16 N4 O16 -","2","1","","Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K.","Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array","The Journal of Physical Chemistry A","2004","108","43","9406","","10.1021/jp0476848","","","0.71073","MoKα","","0.0381","0.0331","","","0.0937","0.0981","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506839","18.849","0.004","5.5418","0.0007","22.618","0.003","90","","96.956","0.013","90","","2345.2","0.7","221","","221","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 F9 N O S -","- C22 H24 F9 N O S -","- C88 H96 F36 N4 O4 S4 -","4","1","","Smith, Jeremy A.; DiStasio, Robert A.; Hannah, Nicole A.; Winter, Rolf W.; Weakley, Timothy J. R.; Gard, Gary L.; Rananavare, Shankar B.","SF5-Terminated Fluorinated Schiff Base Liquid Crystals","The Journal of Physical Chemistry B","2004","108","52","19940","","10.1021/jp047732o","","","0.71073","MoKα","","0.083","0.054","","0.111","","0.053","","","1.42","","","1.64","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506840","17.6569","0.0008","15.4289","0.0007","25.5819","0.0009","90","","90","","90","","6969.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H52 Al2 N8 O21 P4 -","- C12 H42 Al2 N8 O21 P4 -","- C96 H336 Al16 N64 O168 P32 -","8","1","","Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard","Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16)","The Journal of Physical Chemistry B","2004","108","52","20020","","10.1021/jp0485901","","","0.71073","MoKα","","0.1562","0.0749","","","0.1547","0.197","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506841","16.6607","0.0001","16.6607","0.0001","16.6607","0.0001","90","","90","","90","","4624.66","0.05","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","MIL-74 (Li2Al7)","","","- C24 H116 Al7 Li3 N16 O64 P12 -","- C24 Al7.02 Li2.98 N16 O64 P12 -","- C48 Al14.04 Li5.96 N32 O128 P24 -","2","0.0416667","","Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard","Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga)","The Journal of Physical Chemistry B","2004","108","52","20011","","10.1021/jp048592l","","","0.71073","MoKα","","0.0368","0.0364","","","0.1084","0.109","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506842","16.8395","0.0002","16.8395","0.0002","16.8395","0.0002","90","","90","","90","","4775.16","0.1","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","MIL-74 (Li2Ga7)","","","- C24 H116 Ga7 Li3 N16 O64 P12 -","- C24 Ga7.02 Li2.98 N16 O64 P12 -","- C48 Ga14.04 Li5.96 N32 O128 P24 -","2","0.0416667","","Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard","Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga)","The Journal of Physical Chemistry B","2004","108","52","20011","","10.1021/jp048592l","","","0.71073","MoKα","","0.0373","0.035","","","0.0979","0.0992","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506843","16.7444","0.0001","16.7444","0.0001","16.7444","0.0001","90","","90","","90","","4694.71","0.05","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","MIL-74 (Na2Al7)","","","- C24 H116 Al7 N16 Na3 O64 P12 -","- C24 Al7.02 N16 Na2.98 O64 P12 -","- C48 Al14.04 N32 Na5.96 O128 P24 -","2","0.0416667","","Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard","Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga)","The Journal of Physical Chemistry B","2004","108","52","20011","","10.1021/jp048592l","","","0.71073","MoKα","","0.0536","0.0521","","","0.1483","0.1503","","","","","","1.165","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506844","13.2938","0.0016","7.32","0.0017","12.7067","0.0011","90","","103.61","0.03","90","","1201.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O4 -","- C30 H26 O4 -","- C60 H52 O8 -","2","0.5","","Zhang, Haiquan; Yang, Bing; Zheng, Yan; Yang, Guangdi; Ye, Ling; Ma, Yuguang; Chen, Xinfang; Cheng, Gang; Liu, Shiyong","New Biphenyl Derivative with Planar Phenyl−Phenyl Conformation in Crystal at Room Temperature Exhibits Highly Efficient UV Light-Emitting","The Journal of Physical Chemistry B","2004","108","28","9571","","10.1021/jp048600y","","","0.71073","MoKα","","0.1117","0.0391","","","0.1158","0.1294","","","","","","0.837","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506845","8.062","0.001","14.302","0.002","7.977","0.001","90","","103.46","0.01","90","","894.5","0.2","297.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C44 H48 N4 -","2","0.5","","Nishiumi, Toyohiko; Nomura, Yasuhiro; Chimoto, Yuya; Higuchi, Masayoshi; Yamamoto, Kimihisa","The Class II/III Transition Electron Transfer on an Infrared Vibrational Time Scale forN,N‘-Diphenyl-1,4-phenylenediamine Structures","The Journal of Physical Chemistry B","2004","108","23","7992","","10.1021/jp0492265","","","0.71073","MoKα","","","0.06","","","","0.201","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506846","10.0075","0.0005","10.7197","0.0006","12.8122","0.0007","101.67","0.001","109.882","0.001","95.533","0.001","1245.28","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H76 P2 Pt -","- C56 H76 P2 Pt -","- C56 H76 P2 Pt -","1","0.5","","Haskins-Glusac, Ksenija; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.","Photophysics and Photochemistry of Stilbene-Containing Platinum Acetylides","The Journal of Physical Chemistry B","2004","108","16","4969","","10.1021/jp0496811","","","0.71073","MoKα","","0.0327","0.0327","","","0.0852","0.0852","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506847","8.6816","0.0009","4.8578","0.0005","26.25","0.003","90","","91.46","0.002","90","","1106.7","0.2","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","12-[(N-beta-D-glucopyranosyl)carbamoyl]dodecanoic acid","","- C20 H36 N Na O8 -","- C20 H36 N Na O8 -","- C40 H72 N2 Na2 O16 -","2","1","","Masuda, Mitsutoshi; Shimizu, Toshimi","Lipid Nanotubes and Microtubes: Experimental Evidence for Unsymmetrical Monolayer Membrane Formation from Unsymmetrical Bolaamphiphiles","Langmuir","2004","20","14","5969","","10.1021/la049085y","","","0.71073","MoKα","","0.0843","0.0771","","","0.1806","0.1843","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506848","17.547","0.002","25.181","0.002","9.817","0.001","90","","90","","90","","4337.7","0.7","193.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H34 Cl4 N5 Rh -","- C50 H34 Cl4 N5 Rh -","- C200 H136 Cl16 N20 Rh4 -","4","1","","Ikeda, Taichi; Asakawa, Masumi; Goto, Midori; Miyake, Koji; Ishida, Takao; Shimizu, Toshimi","STM Observation of Alkyl-Chain-Assisted Self-Assembled Monolayers of Pyridine-Coordinated Porphyrin Rhodium Chlorides","Langmuir","2004","20","13","5454","","10.1021/la049577a","","","0.7107","MoKα","","","0.056","","","","0.1549","","","","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506849","7.3568","0.0014","9.8242","0.0018","15.334","0.003","87.701","0.003","87.867","0.003","87.491","0.003","1105.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N2 O S3 -","- C9 H10 N2 O S3 -","- C36 H40 N8 O4 S12 -","4","2","","Hu, Jun; Liu, Yubiao; Khemtong, Chalermchai; El Khoury, Jouliana M.; McAfoos, Timothy J.; Taschner, Ian S.","Photochemical Patterning of a Self-Assembled Monolayer of 7-Diazomethylcarbonyl-2,4,9-trithiaadmantane on Gold Films via Wolff Rearrangement","Langmuir","2004","20","12","4933","","10.1021/la049629w","","","0.71073","MoKα","","0.0642","0.056","","","0.138","0.1438","","","","","","1.076","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506850","10.3053","0.0001","15.147","0.001","17.1861","0.0001","101.277","0.0005","106.609","0.0003","103.697","0.003","2395.7","0.17","103.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H108 F8 N8 O4 S16 -","- C88 H108 F8 N8 O4 S16 -","- C88 H108 F8 N8 O4 S16 -","1","0.5","","Akutagawa, Tomoyuki; Kakiuchi, Keiko; Hasegawa, Tatsuo; Nakamura, Takayoshi; Christensen, Christian A.; Becher, Jan","Langmuir−Blodgett Films of Amphiphilic Bis(tetrathiafulvalene) Macrocycles with Four Alkyl Chains","Langmuir","2004","20","10","4187","","10.1021/la049950e","","","0.7107","MoKα","","","0.056","","","","0.094","","","","","","1.15","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506851","13.1","0.003","16.206","0.003","14.737","0.002","90","","110.651","0.015","90","","2927.6","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 Cl2 F10 N2 O2 Zr -","- C28 H14 Cl2 F10 N2 O2 Zr -","- C112 H56 Cl8 F40 N8 O8 Zr4 -","4","1","","Lamberti, Marina; Gliubizzi, Rocco; Mazzeo, Mina; Tedesco, Consiglia; Pellecchia, Claudio","Bis(phenoxyimine)zirconium and -titanium Catalysts Affording Prevailingly Syndiotactic Polypropylenes via Opposite Modes of Monomer Insertion†","Macromolecules","2004","37","2","276","","10.1021/ma035120g","","","0.71069","MoKα","","0.1246","0.0391","","","0.0665","0.0734","","","","","","1.479","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506852","14.121","0.003","5.579","0.001","12.938","0.003","90","","113.76","0.01","90","","932.9","0.3","298","1","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C52 H40 N4 -","2","0.5","","Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa","First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion","Macromolecules","2004","37","7","2661","","10.1021/ma035370x","","","0.71073","MoKα","","","0.043","","","","0.168","","","","","","0.64","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506853","10.36","0.004","18.181","0.006","18.481","0.006","96.53","0.03","88.67","0.03","99.57","0.03","3410","2","93","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H26 Cl3 F3 N2 O10 -","- C34 H24.75 Cl3 F3 N2 O9.995 -","- C136 H99 Cl12 F12 N8 O39.98 -","4","2","","Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa","First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion","Macromolecules","2004","37","7","2661","","10.1021/ma035370x","","","0.71075","MoKα","","","0.0842","","","","0.2092","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506854","12.947","0.002","7.04","0.001","9.542","0.002","90","","94.4","0.01","90","","867.2","0.3","298","1","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C44 H48 N4 -","2","0.5","","Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa","First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion","Macromolecules","2004","37","7","2661","","10.1021/ma035370x","","","0.71073","MoKα","","","0.043","","","","0.126","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506855","4.7799","0.0006","9.3152","0.0009","24.7353","0.0019","90","","90","","90","","1101.36","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","","Vriezema, Dennis M.; Kros, Alexander; de Gelder, René; Cornelissen, Jeroen J. L. M.; Rowan, Alan E.; Nolte, Roeland J. M.","Electroformed Giant Vesicles from Thiophene-Containing Rod−Coil Diblock Copolymers","Macromolecules","2004","37","12","4736","","10.1021/ma035789n","","","0.71073","MoKα","","0.1477","0.0606","","0.1728","0.1336","0.1728","","","1.035","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506856","15.6063","0.001","8.9275","0.0006","19.2262","0.0013","90","","98.979","0.002","90","","2645.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H48 I2 O2 -","- C68 H48 I2 O2 -","- C136 H96 I4 O4 -","2","0.5","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.0705","0.0541","","","0.1256","0.1348","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506857","14.2586","0.0019","15.31","0.002","17.941","0.002","75.054","0.003","78.969","0.003","64.198","0.002","3392.6","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H62 O2 -","- C86 H62 O2 -","- C172 H124 O4 -","2","1","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.1181","0.0809","","","0.2259","0.2496","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506858","8.0944","0.0004","13.7017","0.0006","16.9431","0.0008","90","","90","","90","","1879.11","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 I2 O2 -","- C18 H20 I2 O2 -","- C72 H80 I8 O8 -","4","0.5","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.0209","0.0201","","","0.0524","0.053","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506859","12.56","0.0016","12.9515","0.0017","23.031","0.003","84.628","0.003","81.298","0.002","76.837","0.002","3599.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C75.69 H63.38 Cl3.38 I2 O2 -","- C75.69 H63.38 Cl3.38 I2 O2 -","- C151.38 H126.76 Cl6.76 I4 O4 -","2","1","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.1866","0.1695","","","0.3945","0.4056","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506860","15.8462","0.0009","7.6297","0.0004","9.3907","0.0006","90","","105.906","0.001","90","","1091.88","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I2 O6 -","- C20 H24 I2 O6 -","- C40 H48 I4 O12 -","2","0.5","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.0196","0.0189","","","0.0474","0.0479","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506861","14.0146","0.0007","9.5327","0.0005","11.9678","0.0006","90","","105.98","0.001","90","","1537.08","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 Cu N2 O2 -","- C12 H20 Cl2 Cu N2 O2 -","- C48 H80 Cl8 Cu4 N8 O8 -","4","1","","Nagel, Megan; Paxton, Walter F.; Sen, Ayusman; Zakharov, Lev; Rheingold, Arnold L.","Metal-Mediated Polymerization of Acrylates: Relevance of Radical Traps?","Macromolecules","2004","37","25","9305","","10.1021/ma0485437","","","0.71073","MoKα","","0.0319","0.0277","","","0.0767","0.0916","","","","","","0.409","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506862","21.303","0.003","38.332","0.005","19.564","0.002","90","","90","","90","","15976","3","203.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H124 Cl2 P8 Pd2 Pt2 -","- C62 H124 Cl2 P8 Pd2 Pt2 -","- C496 H992 Cl16 P64 Pd16 Pt16 -","8","1","","Onitsuka, Kiyotaka; Yabe, Ken-ichiro; Ohshiro, Nobuaki; Shimizu, Atsushi; Okumura, Reiko; Takei, Fumie; Takahashi, Shigetoshi","Di- and Trifunctional Initiators Containing Pt−Pd μ-Ethynediyl Units for Living Polymerization of Aryl Isocyanides","Macromolecules","2004","37","22","8204","","10.1021/ma048612h","","","0.7107","MoKα","","","0.0595","","","","0.078","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506863","5.811","0.002","4.857","0.001","32.313","0.009","90","","90.49","0.02","90","","912","0.4","203.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 O4 -","- C20 H16 Br2 O4 -","- C40 H32 Br4 O8 -","2","0.5","","Matsumoto, Akikazu; Nakazawa, Hideyuki","Two-Step and Reversible Phase Transitions of Organic Polymer Crystals Produced by Topochemical Polymerization","Macromolecules","2004","37","23","8538","","10.1021/ma048905a","","","0.7107","MoKα","","","0.077","","","","0.125","","","","","","1.174","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506864","5.837","0.002","4.856","0.001","32.742","0.009","90","","91.05","0.02","90","","927.9","0.5","303.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 O4 -","- C20 H16 Br2 O4 -","- C40 H32 Br4 O8 -","2","0.5","","Matsumoto, Akikazu; Nakazawa, Hideyuki","Two-Step and Reversible Phase Transitions of Organic Polymer Crystals Produced by Topochemical Polymerization","Macromolecules","2004","37","23","8538","","10.1021/ma048905a","","","0.7107","MoKα","","","0.064","","","","0.091","","","","","","1.203","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506865","15.184","0.012","32.51","0.02","15.639","0.01","90","","102.62","0.07","90","","7533","9","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H116 O91 S6 -","- C108 H116 O91 S6 -","- C216 H232 O182 S12 -","2","1","","Takashima, Yoshinori; Oizumi, Yoshihumi; Sakamoto, Kazuya; Miyauchi, Masahiko; Kamitori, Shigehiro; Harada, Akira","Crystal Structure of the Complex of β-Cyclodextrin with Bithiophene and Their Oxidative Polymerization in Water","Macromolecules","2004","37","11","3962","3964","10.1021/ma049763n","","","0.7107","MoKα","","0.171","0.1163","","","0.2809","0.2937","","","","","","1.589","","","","has coordinates","219205","2020-10-21","18:00:00",""
"1506866","15.212","0.003","9.1575","0.0019","18.012","0.004","90","","90.05","0.004","90","","2509.1","0.9","172","2","172","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H43 N O2 Si Ti -","- C23 H43 N O2 Si Ti -","- C92 H172 N4 O8 Si4 Ti4 -","4","1","","Rodriguez-Delgado, Antonio; Mariott, Wesley R.; Chen, Eugene Y.-X.","Living and Syndioselective Polymerization of Methacrylates by Constrained Geometry Titanium Alkyl and Enolate Complexes","Macromolecules","2004","37","9","3092","","10.1021/ma049774g","","","0.71073","MoKα","","0.0683","0.0537","","","0.1378","0.1488","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506867","22.4112","0.0003","4.59","","24.6403","0.0003","90","","113.19","0.001","90","","2329.89","0.05","120","2","120","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C26 H32 Br2 -","- C26 H32 Br2 -","- C104 H128 Br8 -","4","1","","Heeney, Martin; Bailey, Clare; Giles, Mark; Shkunov, Maxim; Sparrowe, David; Tierney, Steve; Zhang, Weimin; McCulloch, Iain","Alkylidene Fluorene Liquid Crystalline Semiconducting Polymers for Organic Field Effect Transistor Devices","Macromolecules","2004","37","14","5250","","10.1021/ma049798n","","","0.71073","MoKα","","0.0345","0.0272","","","0.0663","0.0699","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506868","15.189","0.005","7.53","0.003","15.593","0.005","90","","95.72","0.03","90","","1774.5","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H62 O8 -","- C37 H62 O8 -","- C74 H124 O16 -","2","1","","Clericuzio, Marco; Mella, Mariella; Vita-Finzi, Paola; Zema, Michele; Vidari, Giovanni","Cucurbitane triterpenoids from Leucopaxillus gentianeus.","Journal of natural products","2004","67","11","1823","1828","10.1021/np049883o","","","0.71073","MoKα","","0.218","0.0607","","","0.109","0.1466","","","","","","0.971","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506869","10.044","0.002","10.216","0.002","21.784","0.004","90","","90","","90","","2235.2","0.7","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","","Ma, Chun-Hui; Chen, Bin; Qi, Hua-Yi; Li, Bo-Gang; Zhang, Guo-Lin","Two pyranocoumarins from the seeds of Calophyllum polyanthum.","Journal of natural products","2004","67","9","1598","1600","10.1021/np0499158","","","0.71073","MoKα","","0.1146","0.0365","","","0.0606","0.07","","","","","","0.801","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506870","4.054","0.001","16.202","0.006","23.979","0.009","90","","90","","90","","1575","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Benyahia, Samira; Benayache, Samir; Benayache, Fadila; Quintana, José; López, Matías; León, Francisco; Hernández, Juan C; Estévez, Francisco; Bermejo, Jaime","Isolation from Eucalyptus occidentalis and identification of a new kaempferol derivative that induces apoptosis in human myeloid leukemia cells.","Journal of natural products","2004","67","4","527","531","10.1021/np049960f","","","0.71073","MoKα","","0.081","0.0548","","","0.1173","0.129","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506871","8.1092","0.0003","15.8014","0.0006","12.6836","0.0005","90","","108.122","0.001","90","","1544.62","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 B N -","- C19 H28 B N -","- C76 H112 B4 N4 -","4","1","","Wagner, Carl E.; Shea, Kenneth J.","Synthesis and first molecular structure of a bis-2-spiro-1-boraadamantane derivative.","Organic letters","2004","6","3","313","316","10.1021/ol035661q","","","0.71073","MoKα","","0.0633","0.0401","","","0.0923","0.1079","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506872","12.0028","0.0009","11.6863","0.0008","13.3982","0.001","90","","107.782","0.001","90","","1789.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 B2 N2 -","- C44 H56 B2 N2 -","- C88 H112 B4 N4 -","2","0.5","","Wagner, Carl E.; Shea, Kenneth J.","Synthesis and first molecular structure of a bis-2-spiro-1-boraadamantane derivative.","Organic letters","2004","6","3","313","316","10.1021/ol035661q","","","0.71073","MoKα","","0.0738","0.0493","","","0.1115","0.1284","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506873","8.3435","0.0006","6.6015","0.0004","9.8836","0.0007","90","","90.892","0.001","90","","544.32","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","0.5","","Wagner, Carl E.; Shea, Kenneth J.","Synthesis and first molecular structure of a bis-2-spiro-1-boraadamantane derivative.","Organic letters","2004","6","3","313","316","10.1021/ol035661q","","","0.71073","MoKα","","0.0485","0.0389","","","0.1123","0.1196","","","","","","1.476","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506874","10.6406","0.0009","11.014","0.001","21.713","0.002","92.496","0.001","94.349","0.001","97.292","0.001","2513.2","0.4","151.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H82 Cl N2 O P2 Rh -","- C52.79 H52 Cl N2 P2 Rh -","- C105.58 H104 Cl2 N4 P4 Rh2 -","2","1","","Lewis, Jared C.; Wiedemann, Sean H.; Bergman, Robert G.; Ellman, Jonathan A.","Arylation of heterocycles via rhodium-catalyzed C-H bond functionalization.","Organic letters","2004","6","1","35","38","10.1021/ol035985e","","","0.7107","MoKα","","","0.0527","","","","0.063","","","","","","1.865","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506875","10.842","0.005","30.34","0.004","10.832","0.006","90","","92.77","0.02","90","","3559","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Cl6 O4 P -","- C32 H37 Cl6 O4 P -","- C128 H148 Cl24 O16 P4 -","4","1","","Kommana, Praveen; Satish Kumar, N.; Vittal, Jagadese J.; Jayasree, E. G.; Jemmis, E. D.; Kumara Swamy, K. C.","Does a sterically bulky group occupy the equatorial site in trigonal bipyramidal phosphorus?","Organic letters","2004","6","2","145","148","10.1021/ol035990i","","","0.71073","MoKα","","0.1066","0.0539","","","0.1476","0.188","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506876","9.5164","0.0007","10.9825","0.0009","17.8763","0.0014","84.208","0.002","81.966","0.002","82.869","0.002","1829","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H43 Cl4 O4 P -","- C36.5 H43 Cl4 O4 P -","- C73 H86 Cl8 O8 P2 -","2","1","","Kommana, Praveen; Satish Kumar, N.; Vittal, Jagadese J.; Jayasree, E. G.; Jemmis, E. D.; Kumara Swamy, K. C.","Does a sterically bulky group occupy the equatorial site in trigonal bipyramidal phosphorus?","Organic letters","2004","6","2","145","148","10.1021/ol035990i","","","0.71073","MoKα","","0.059","0.0436","","","0.1042","0.1091","","","","","","1.004","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506877","6.8202","0.0007","9.76","0.001","11.627","0.002","78.101","0.004","76.898","0.005","75.658","0.007","721.02","0.16","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 O2 Si -","- C12 H24 O2 Si -","- C24 H48 O4 Si2 -","2","1","","Gorman, Jeffrey S. T.; Iacono, Scott T.; Pagenkopf, Brian L.","Selective oxidation of zirconocyclopentenes via organoboranes.","Organic letters","2004","6","1","67","70","10.1021/ol036031r","","","0.71073","MoKα","","0.29","0.1139","","","0.2067","0.2396","","","","","","1.488","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506878","6.0993","0.0006","9.9481","0.001","13.1235","0.0013","90","","90","","90","","796.29","0.14","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Du, Yanming; Creighton, Christopher J.; Tounge, Brett A.; Reitz, Allen B.","Noncovalent self-assembly of bicyclo[4.2.2]diketopiperazines: influence of saturation in the bridging carbacyclic ring.","Organic letters","2004","6","3","309","312","10.1021/ol036101u","","","0.71073","MoKα","","0.0668","0.0415","","","0.0764","0.0827","","","","","","0.969","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506879","7.5275","0.001","9.8141","0.0013","11.7768","0.0016","90","","96.537","0.002","90","","864.4","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","2","","Du, Yanming; Creighton, Christopher J.; Tounge, Brett A.; Reitz, Allen B.","Noncovalent self-assembly of bicyclo[4.2.2]diketopiperazines: influence of saturation in the bridging carbacyclic ring.","Organic letters","2004","6","3","309","312","10.1021/ol036101u","","","0.71073","MoKα","","0.0692","0.0521","","","0.1249","0.1315","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506880","4.972","0.0013","8.259","0.002","10.597","0.003","91.59","0.005","96.686","0.005","105.419","0.004","415.85","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","1","0.5","","Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting","Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.","Organic letters","2004","6","2","229","232","10.1021/ol036108b","","","0.71073","MoKα","","0.1196","0.0667","","","0.172","0.1937","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506881","7.3659","0.0012","13.482","0.002","13.783","0.002","108.707","0.003","104.395","0.003","90.589","0.004","1249.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O8 -","- C28 H28 N2 O8 -","- C56 H56 N4 O16 -","2","1","","Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting","Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.","Organic letters","2004","6","2","229","232","10.1021/ol036108b","","","0.71073","MoKα","","0.108","0.0541","","","0.1084","0.1234","","","","","","0.784","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506882","4.0457","0.0006","9.8264","0.0016","28.394","0.004","90","","91.477","0.003","90","","1128.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O8 -","- C26 H24 N2 O8 -","- C52 H48 N4 O16 -","2","0.5","","Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting","Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.","Organic letters","2004","6","2","229","232","10.1021/ol036108b","","","0.71073","MoKα","","0.1085","0.0569","","","0.1249","0.1397","","","","","","0.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506883","19.0887","0.0014","27.889","0.002","28.778","0.002","90","","90","","90","","15320.4","1.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C153 H186 Cl2 O8 P8 Pt4 -","- C153 H185 Cl2 O8 P8 Pt4 -","- C612 H740 Cl8 O32 P32 Pt16 -","4","1","","Hua, Jiang; Lin, Wenbin","Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.","Organic letters","2004","6","6","861","864","10.1021/ol036111v","","","0.71073","MoKα","","0.1825","0.0759","","","0.1766","0.2403","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506884","13.9988","0.001","38.171","0.003","14.5336","0.0011","90","","114.387","0.001","90","","7073.1","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H88 O5 P4 Pt2 -","- C74 H83.25 O5 P4 Pt2 -","- C296 H333 O20 P16 Pt8 -","4","2","","Hua, Jiang; Lin, Wenbin","Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.","Organic letters","2004","6","6","861","864","10.1021/ol036111v","","","0.71073","MoKα","","0.1034","0.0676","","","0.1352","0.152","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506885","12.131","0.006","13.169","0.004","19.099","0.006","94.45","0.03","96.33","0.04","110.15","0.03","2825","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 O12 -","- C67 H67 O12 -","- C134 H134 O24 -","2","1","","Ihm, Chaesang; In, Youngyong; Park, Youngja; Paek, Kyungsoo","Small cavitands specifically binding a water molecule.","Organic letters","2004","6","3","369","372","10.1021/ol036206x","","","0.7107","MoKα","","0.1094","0.0531","","","0.1276","0.1591","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506886","7.792","0.004","15.115","0.013","8.009","0.009","90","","98.12","0.06","90","","933.8","1.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 N2 O4 -","- C18 H30 N2 O4 -","- C36 H60 N4 O8 -","2","1","","Periasamy, Mariappan; Sivakumar, Sangarappan; Reddy, Meda Narsi; Padmaja, Meduri","Toward homogeneity of chirality via selective formation of homochiral or heterochiral aggregates.","Organic letters","2004","6","2","265","268","10.1021/ol036240b","","","0.71073","MoKα","","0.0835","0.0549","","","0.1323","0.1516","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506887","14.9262","0.0015","15.3584","0.001","17.1309","0.0013","111.443","0.004","95.318","0.003","90.261","0.003","3636.4","0.5","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C88 H80 N8 O12 -","- C88 H80 N8 O12 -","- C176 H160 N16 O24 -","2","1","","Ma, Bao-Qing; Vieira Ferreira, Luis F.; Coppens, Philip","Structure and photoluminescence of a benzil nanocolumn in a C-methylcalix[4]resorcinarene-based framework.","Organic letters","2004","6","7","1087","1090","10.1021/ol036249d","","","0.71073","MoKα","","0.0973","0.0465","","","0.0936","0.1094","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506888","7.504","0.002","15.354","0.004","11.812","0.004","90","0","105.48","0.03","90","0","1311.6","0.7","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 -","- C15 H17 N3 -","- C60 H68 N12 -","4","1","","Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado","Cyclizations of N-stannylaminyl radicals onto nitriles.","Organic letters","2004","6","3","417","420","10.1021/ol036268n","","","1.54178","CuKα","","0.071","0.042","","0.1113","","0.0965","","","0.991","","","1.122","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506889","10.819","0.002","9.869","0.002","22.487","0.005","90","0","90","0","90","0","2401","0.8","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C112 H120 N24 -","8","1","","Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado","Cyclizations of N-stannylaminyl radicals onto nitriles.","Organic letters","2004","6","3","417","420","10.1021/ol036268n","","","1.54178","CuKα","","0.1023","0.0471","","0.1129","","0.0912","","","0.938","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506890","8.8733","0.0008","11.502","0.001","11.502","0.001","90","","112.22","0.01","90","","1086.73","0.18","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 S3 -","- C12 H6 S3 -","- C48 H24 S12 -","4","1","","Nicolas, Yohann; Blanchard, Philippe; Levillain, Eric; Allain, Magali; Mercier, Nicolas; Roncali, Jean","Planarized star-shaped oligothiophenes with enhanced pi-electron delocalization.","Organic letters","2004","6","2","273","276","10.1021/ol0362764","","x-ray","0.71073","MoKα","","0.0803","0.0652","","","0.1782","0.1922","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506891","31.901","0.0019","31.901","0.0019","15.8767","0.0009","90","","90","","90","","16157.3","1.6","143","1","143","1","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C31.25 H29.25 Cl8.75 N5 O4 Ru S2 -","- C31.0613 H28.865 Cl8.184 N5 O4 Ru S2 -","- C496.98 H461.84 Cl130.944 N80 O64 Ru16 S32 -","16","1","","Zhang, Lilu; Carroll, Patrick; Meggers, Eric","Ruthenium complexes as protein kinase inhibitors.","Organic letters","2004","6","4","521","523","10.1021/ol036283s","","","0.71069","MoKα","","0.071","0.0606","","","0.1594","0.1749","","","","","","1.049","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1506892","7.728","0.004","10.467","0.005","15.821","0.008","101.849","0.009","94.878","0.01","108.82","0.009","1169.6","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl N2 O7 S -","- C21 H21 Cl N2 O7 S -","- C42 H42 Cl2 N4 O14 S2 -","2","1","","Dinsmore, Andrew; Billing, David G.; Mandy, Karen; Michael, Joseph P.; Mogano, Daniel; Patil, Shivaputra","Magnesiation employing Grignard reagents and catalytic amine. Application to the functionalization of N-phenylsulfonylpyrrole.","Organic letters","2004","6","2","293","296","10.1021/ol036288p","","","0.71073","MoKα","","0.162","0.0707","","","0.1929","0.2365","","","","","","0.988","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506893","9.5168","0.0014","10.0609","0.0014","14.103","0.002","77.431","0.012","77.178","0.012","79.479","0.012","1272.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C62 H58 N2 O14 -","2","1","","Renaudet, Olivier; Reymond, Jean-Louis","Synthesis of ether oligomers.","Organic letters","2004","6","3","397","400","10.1021/ol036300d","","","0.71073","MoKα","","0.0548","0.0375","","","0.0917","0.099","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506894","8.7426","0.0008","10.6484","0.0009","14.4952","0.0013","96.122","0.007","99.555","0.007","104.529","0.007","1272.5","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O8 -","- C30 H27 N O8 -","- C60 H54 N2 O16 -","2","1","","Renaudet, Olivier; Reymond, Jean-Louis","Synthesis of ether oligomers.","Organic letters","2004","6","3","397","400","10.1021/ol036300d","","","0.71073","MoKα","","0.0449","0.0357","","","0.0851","0.0909","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506895","13.0619","0.0009","14.127","0.002","11.692","0.001","108.13","0.01","109.703","0.005","77.28","0.02","1914.2","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H45 Cl5 P2 Pd S -","- C33.5 H44 Cl5 P2 Pd S -","- C67 H88 Cl10 P4 Pd2 S2 -","2","1","","Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki","Preparation and coordination properties including catalytic activities of a bulky 2-methyl-3-thioxo-1,3-diphosphapropene.","Organic letters","2004","6","3","425","427","10.1021/ol036330g","","","0.7107","MoKα","","","0.0618","","","","0.1631","","","","","","1.571","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506896","8.123","0.0012","8.1163","0.0011","13.096","0.002","102.015","0.01","87.435","0.006","119.834","0.015","730.8","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.1352","0.1099","","","0.2721","0.2923","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506897","8","0.0005","8.006","0.0005","12.842","0.0008","96.645","0.0019","92.52","0.002","119.6","0.003","705.47","0.08","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.0936","0.0747","","","0.1629","0.1767","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506898","8.487","0.009","12.456","0.008","16.095","0.008","96.32","0.03","105.32","0.04","110.1","0.14","1503","3","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","(+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid methane solvate","","- C15.25 H21 O5 -","- C15.25 H20 O5 -","- C61 H80 O20 -","4","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.0714","0.0675","","","0.215","0.2207","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506899","8.546","0.001","12.52","0.001","16.036","0.002","96.47","0.01","105.18","0.02","109.35","0.01","1524.4","0.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","(+/-)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid dichlorometane solvate","","- C15.5 H21 Cl O5 -","- C15.5 H20.669 Cl O5 -","- C62 H82.676 Cl4 O20 -","4","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71069","MoKα","","0.0813","0.0623","","","0.1768","0.2035","","","","","","0.82","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506900","8.497","0.002","12.436","0.003","16.119","0.004","96.498","0.012","104.91","0.005","109.739","0.015","1511.3","0.7","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","(±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid chloroform solvate","","- C15.25 H20.25 Cl0.75 O5 -","- C15.125 H20.25 Cl0.625 O5 -","- C60.5 H81 Cl2.5 O20 -","4","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71069","MoKα","","0.1184","0.0776","","","0.203","0.2326","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506901","7.967","0.0004","26.203","0.0017","19.314","0.0013","90","","100.247","0.003","90","","3967.7","0.4","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-7,7-Dicyclopropyl-6-oxabicyclo[3.2.1]octane-1,5-dicarboxylic acid carbon tetrachloride solvate","","- C20 H20 O5 -","- C16 H20 Cl4 O5 -","- C128 H160 Cl32 O40 -","8","2","","Febles, Martín; Pérez, Cirilo; Foces-Foces, Concepción; Rodríguez, Matías L; Pérez-Hernández, Natalia; Morales, Ezequiel Q.; Martín, Julio D","Cause of hydration/dehydration in condensed organic materials: synthesis of hydrophobic pores.","Organic letters","2004","6","6","877","880","10.1021/ol036335d","","","0.71073","MoKα","","0.1581","0.1053","","","0.2682","0.3074","","","","","","1.033","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506902","9.9279","0.0006","7.8341","0.0004","15.8873","0.0009","90","","95.946","0.001","90","","1229.01","0.12","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-endo-6-exo-bis(chloromethanesulfonyl)bicyclo[2.2.1]hept-2-ene","","- C9 H12 Cl2 O4 S2 -","- C9 H12 Cl2 O4 S2 -","- C36 H48 Cl8 O16 S8 -","4","2","","Block, Eric; Jeon, Hak Rim; Zhang, Shao-Zhong; Dikarev, Evgeny V.","Chloromethanesulfonylethene and dichloromethanesulfonylethene: new reagents for tandem Diels-Alder/Ramberg-Bäcklund reactions.","Organic letters","2004","6","3","437","440","10.1021/ol0363523","","","0.71073","MoKα","","0.0299","0.0291","","","0.0739","0.0744","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506903","16.9447","0.0014","10.3611","0.0014","12.0903","0.0015","90","","119.267","0.009","90","","1851.7","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0284","0.0266","","","0.0679","0.0692","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506904","14.8764","0.0017","13.5218","0.0013","27.438","0.003","90","","90","","90","","5519.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N3 O4 Si -","- C28 H33 N3 O4 Si -","- C224 H264 N24 O32 Si8 -","8","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.132","0.0945","","","0.1984","0.2242","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506905","14.007","0.003","18.438","0.004","29.115","0.006","90","","95.24","0.03","90","","7488","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 N3 O5.5 Si2 -","- C34.75 H42.5 N3 O5.5 Si2 -","- C278 H340 N24 O44 Si16 -","8","2","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.1656","0.0888","","0.3269","0.2448","","","","0.997","1.08","1.08","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506906","22.019","0.004","10.433","0.002","12.03","0.002","90","","93.25","0.03","90","","2759.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O4 Si -","- C28 H33 N3 O4 Si -","- C112 H132 N12 O16 Si4 -","4","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0925","0.0678","","0.1863","0.1739","","","","1.037","1.226","1.226","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506907","6.8014","0.0001","12.835","0.0002","21.757","0.0003","90","","90","","90","","1899.3","0.05","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl Hg N O4 S -","- C18 H26 Cl Hg N O4 S -","- C72 H104 Cl4 Hg4 N4 O16 S4 -","4","1","","Nguyen, Giang; Perlmutter, Patrick; Rose, Mark L.; Vounatsos, Filisaty","A new nucleophilic addition/ring-closure sequence. Enantioselective synthesis of 3-deoxy-8-oxatropanes.","Organic letters","2004","6","6","893","895","10.1021/ol036404o","","","0.7107","MoKα","","0.0465","0.0382","","0.0358","","0.0351","","","2.553","","","2.676","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506908","12.665","0.006","13.21","0.007","13.883","0.008","104.02","0.03","95.65","0.03","95.33","0.02","2226","2","100","","100","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","2","","Wang, Pingshan; Moorefield, Charles N.; Newkome, George R.","Synthesis, X-ray structure, and self-assembly of functionalized bis(2,2':6',2' '-terpyridinyl)arenes.","Organic letters","2004","6","8","1197","1200","10.1021/ol0364529","","","0.71073","MoKα","","0.129","0.057","","","0.109","0.133","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506909","8.8878","0.0018","13.261","0.003","15.659","0.003","65.805","0.003","85.892","0.004","72.284","0.004","1600.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30 N6 O -","- C43 H30 N6 O -","- C86 H60 N12 O2 -","2","1","","Wang, Pingshan; Moorefield, Charles N.; Newkome, George R.","Synthesis, X-ray structure, and self-assembly of functionalized bis(2,2':6',2' '-terpyridinyl)arenes.","Organic letters","2004","6","8","1197","1200","10.1021/ol0364529","","","0.71073","MoKα","","0.0679","0.0619","","","0.1539","0.1576","","","","","","1.114","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506910","21.838","0.001","9.844","0.002","12.235","0.001","90","","90","","90","","2630.2","0.6","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H39 N O2 Si2 -","- C22 H39 N O2 Si2 -","- C88 H156 N4 O8 Si8 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","1.54178","CuKα","","0.0691","0.0522","","","0.1398","0.1528","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506911","9.245","0.001","11.945","0.001","32.509","0.001","90","","90","","90","","3590","0.5","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 N O2 Si Sn -","- C37 H45 N O2 Si Sn -","- C148 H180 N4 O8 Si4 Sn4 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","0.71073","MoKα","","0.0682","0.0396","","","0.0607","0.0677","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506912","9.895","0.001","11.67","0.001","22.943","0.001","90","","90","","90","","2649.3","0.4","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 N O3 Si -","- C24 H39 N O3 Si -","- C96 H156 N4 O12 Si4 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","0.71073","MoKα","","0.0774","0.047","","","0.1048","0.1166","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506913","7.9045","0.0012","8.5305","0.0012","9.0461","0.0014","85.166","0.004","66.051","0.003","84.758","0.004","554.38","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C26 H38 N2 O4 -","2","1","","Zeng, Yibin; Reddy, D. Srinivasa; Hirt, Erin; Aubé, Jeffrey","Domino reactions that combine an azido-Schmidt ring expansion with the Diels-Alder reaction.","Organic letters","2004","6","26","4993","4995","10.1021/ol047809r","","","0.71073","MoKα","","0.044","0.0434","","","0.1114","0.112","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506914","15.128","0.0002","6.86","0.0001","19.886","0.0004","90","","104.813","0.0007","90","","1995.14","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Depsilairdin","","","- C38 H67 N3 O10 -","- C38 H67 N3 O10 -","- C76 H134 N6 O20 -","2","1","","Pedras, M Soledade C; Chumala, Paulos B.; Quail, J. Wilson","Chemical mediators: the remarkable structure and host-selectivity of depsilairdin, a sesquiterpenic depsipeptide containing a new amino acid.","Organic letters","2004","6","24","4615","4617","10.1021/ol0478786","","","0.71073","MoKα","","0.0611","0.0433","","","0.0845","0.0918","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506915","11.5796","0.0004","12.316","0.0005","12.741","0.0005","69.9597","0.0013","65.776","0.0014","88.9354","0.0012","1540.85","0.11","120","","120","","","","","","","","?","5","P -1","-P 1","2","","4'',5'-bisNN-2,2'-bipyridine","","- C28 H33 Cl3 N8 O4 -","- C28 H33 Cl3 N8 O4 -","- C56 H66 Cl6 N16 O8 -","2","1","","Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin","A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.","Organic letters","2004","6","26","4929","4932","10.1021/ol0479040","","","0.71073","MoKα","","","0.0512","","","","0.0571","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506916","6.66","0.0004","10.93","0.0005","23.157","0.0007","90","","96.362","0.0013","90","","1675.3","0.14","120","","120","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","6-bromo-5'nitronylnitroxide-2,2'-bipyridine","","- C17 H18 Br N4 O2 -","- C17 H18 Br N4 O2 -","- C68 H72 Br4 N16 O8 -","4","1","","Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin","A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.","Organic letters","2004","6","26","4929","4932","10.1021/ol0479040","","","0.71073","MoKα","","","0.0405","","","","0.0448","","","","","","1.0815","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506917","6.569","","21.561","","20.662","","90","","90.8","","90","","2926.16","","120","","120","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","terpyridine","","- C29 H37 N7 O6 -","- C29 H37 N7 O6 -","- C116 H148 N28 O24 -","4","1","","Zoppellaro, Giorgio; Enkelmann, Volker; Geies, Ahmed; Baumgarten, Martin","A multifunctional high-spin biradical pyrazolylbipyridine-bisnitronylnitroxide.","Organic letters","2004","6","26","4929","4932","10.1021/ol0479040","","","0.71073","MoKα","","","0.0645","","","","0.0666","","","","","","1.0293","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506918","6.3768","0.0005","8.3652","0.0006","23.9945","0.0018","90","","90","","90","","1279.94","0.17","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O9 -","- C11 H14 O9 -","- C44 H56 O36 -","4","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0361","0.0355","","","0.0885","0.089","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506919","8.0032","0.0018","10.171","0.002","8.0938","0.0018","90","","99.584","0.005","90","","649.6","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O8 -","- C11 H14 O8 -","- C22 H28 O16 -","2","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0333","0.0291","","","0.0561","0.0572","","","","","","0.968","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506920","8.3616","0.0006","10.4148","0.0007","11.2854","0.0007","90","","90","","90","","982.78","0.11","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 O8 -","- C8 H10 O8 -","- C32 H40 O32 -","4","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0348","0.034","","","0.0935","0.0942","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506921","8.0511","0.0005","14.5143","0.001","8.4402","0.0006","90","","91.624","0.001","90","","985.89","0.12","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H10 O8 -","- C8 H10 O8 -","- C32 H40 O32 -","4","2","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0358","0.034","","","0.0838","0.085","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506922","14.7787","0.0008","11.8125","0.001","8.9824","0.0005","90","","116.602","0.005","90","","1402.09","0.17","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","2,3-benzo-7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane hydrochloride","","- C15 H18 Cl F2 N O -","- C15 H18 Cl F2 N O -","- C60 H72 Cl4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0318","0.0293","","","0.0757","0.0776","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506923","9.6971","0.0007","15.91","0.0017","8.8887","0.0012","90","","107.646","0.009","90","","1306.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-benzo-7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane","","- C15 H17 F2 N O -","- C15 H17 F2 N O -","- C60 H68 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0512","0.038","","","0.0933","0.101","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506924","9.0862","0.0014","12.3385","0.0019","11.885","0.003","90","","99.55","0.019","90","","1314","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8,8-difluoro-1-(morpholin-4-yl)bicyclo[5.1.0]octane hydrochloride","","- C12 H20 Cl F2 N O -","- C12 H20 Cl F2 N O -","- C48 H80 Cl4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0596","0.0418","","","0.102","0.1125","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506925","15.7559","0.0009","12.6574","0.0009","14.6957","0.0012","90","","118.97","0.005","90","","2564","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7,7-difluoro-1-(morpholin-4-yl)bicyclo[4.1.0]heptane hydrochloride hydrate","","- C11 H19 Cl F2 N O1.5 -","- C11 H19 Cl F2 N O1.5 -","- C88 H152 Cl8 F16 N8 O12 -","8","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","","0.71073","MoKalpha","","0.0505","0.0395","","","0.0996","0.1078","","","","","","1.038","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506926","12.6119","0.0008","7.2008","0.0006","16.4798","0.0013","90","","108.231","0.006","90","","1421.5","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9,9-difluoro-1-(morpholin-1-yl)bicyclo[6.1.0]nonane hydrobromide","","- C13 H22 Br F2 N O -","- C13 H22 Br F2 N O -","- C52 H88 Br4 F8 N4 O4 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes.","Organic letters","2004","6","25","4767","4770","10.1021/ol047943b","","x-ray","0.71073","MoKalpha","","0.0514","0.0371","","","0.0904","0.0982","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506927","6.4482","0.0009","19.473","0.003","12.0535","0.0017","90","","102.17","0.003","90","","1479.5","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl5 N2 O2 S2 -","- C23 H31 Cl5 N2 O2 S2 -","- C46 H62 Cl10 N4 O4 S4 -","2","1","","Zhong, Yu-Wu; Izumi, Kenji; Xu, Ming-Hua; Lin, Guo-Qiang","Highly diastereoselective and enantioselective synthesis of enantiopure C2-Symmetrical vicinal diamines by reductive homocoupling of chiral N-tert-butanesulfinyl imines.","Organic letters","2004","6","25","4747","4750","10.1021/ol0479803","","","0.71073","MoKα","","0.1229","0.0526","","","0.0897","0.1081","","","","","","0.746","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506928","5.2748","0.0003","10.1002","0.0006","15.4153","0.0009","94.272","0.001","94.662","0.001","95.663","0.001","811.74","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N O3 -","- C18 H24 N O3 -","- C36 H48 N2 O6 -","2","1","","Chamberland, Stephen; Woerpel, K. A.","Using nucleophilic substitution reactions to understand how a remote alkyl or alkoxy substituent influences the conformation of eight-membered ring oxocarbenium ions.","Organic letters","2004","6","25","4739","4741","10.1021/ol047998d","","","0.71073","MoKα","","0.0627","0.0536","","","0.1419","0.1522","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506929","8.729","0.008","11.35","0.01","20.09","0.02","90","","90","","90","","1990","3","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","","Takano, Masashi; Umino, Akinori; Nakada, Masahisa","Synthetic studies on cyathins: enantioselective total synthesis of (+)-allocyathin B2.","Organic letters","2004","6","26","4897","4900","10.1021/ol048010i","","","0.7107","MoKα","","","0.032","","","","0.082","","","","","","0.954","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506930","11.413","0.003","12.631","0.003","22.655","0.005","90","","95.192","0.004","90","","3252.5","1.4","207","2","207","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C60 H54 F12 N10 O4 P2 Ru2 -","- C59.4 H52.2 F12 N10 O3.7 P2 Ru2 -","- C118.8 H104.4 F24 N20 O7.4 P4 Ru4 -","2","0.5","","Rastegar, Majid F.; Todd, Erin K.; Tang, Hongding; Wang, Zhi Yuan","A new class of near-infrared electrochromic oxamide-based dinuclear ruthenium complexes.","Organic letters","2004","6","24","4519","4522","10.1021/ol048021b","","","0.71073","MoKα","","0.093","0.0672","","","0.1482","0.1559","","","","","","1.208","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506931","17.2335","0.0011","14.9473","0.0009","9.4343","0.0006","90","","97.164","0.001","90","","2411.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N3 O7 -","- C29 H21 N3 O7 -","- C116 H84 N12 O28 -","4","1","","Zhang, Yan; Wang, Lei; Zhang, Min; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [4 + 4] cycloadditions of o-quinones with oxazoles.","Organic letters","2004","6","26","4893","4895","10.1021/ol048028t","","","0.71073","MoKα","","0.0697","0.053","","","0.1353","0.1468","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506932","10.5543","0.0001","12.653","0.0004","13.6927","0.0003","90","","103.879","0.001","90","","1775.19","0.07","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Zhang, Yan; Wang, Lei; Zhang, Min; Fun, Hoong-Kun; Xu, Jian-Hua","Photoinduced [4 + 4] cycloadditions of o-quinones with oxazoles.","Organic letters","2004","6","26","4893","4895","10.1021/ol048028t","","","0.71073","MoKα","","0.1468","0.0566","","","0.1138","0.1378","","","","","","0.792","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506933","6.3777","0.001","14.081","0.0018","14.2429","0.0015","90","","97.89","0.014","90","","1267","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H22 Cl2 N2 O5 S -","- C25 H22 Cl2 N2 O5 S -","- C50 H44 Cl4 N4 O10 S2 -","2","1","","Xu, Xin; Kotti, S. R. S. Saibabu; Liu, Junying; Cannon, John F.; Headley, Allan D.; Li, Guigen","Ionic liquid media resulted in the first asymmetric aminohalogenation reaction of alkenes.","Organic letters","2004","6","26","4881","4884","10.1021/ol048045i","","","0.71073","MoKα","","0.0723","0.0513","","","0.1161","0.1318","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506934","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Saitoh, Terunobu; Yoshida, Suguru; Ichikawa, Junji","1,8-bis(diphenylmethylium)naphthalenediyl dication as an organic oxidant: synthesis of benzidines via self-coupling of N,N-dialkylanilines.","Organic letters","2004","6","24","4563","4565","10.1021/ol048058w","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506935","11.17","0.01","16.42","0.01","24.14","0.02","90","","90","","90","","4428","6","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H31 N Si -","- C26 H31 N Si -","- C208 H248 N8 Si8 -","8","1","","Yagi, Kazunari; Shinokubo, Hiroshi; Oshima, Koichiro","Synthesis of silyl aziridines and alpha-amino acylsilanes with silyldibromomethyllithium.","Organic letters","2004","6","23","4339","4341","10.1021/ol048092a","","","0.7107","MoKα","","","0.054","","","","0.068","","","","","","1.168","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506936","10.6541","0.0009","9.4448","0.0008","14.5765","0.0012","90","","109.205","0.002","90","","1385.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N2 O3 -","- C14 H22 N2 O3 -","- C56 H88 N8 O12 -","4","1","","Kim, Yi Jin; Lee, Daesung","Use of N-N bond stereodynamics in ring-closing metathesis to form medium-sized rings and macrocycles.","Organic letters","2004","6","23","4351","4353","10.1021/ol048136f","","","0.71073","MoKα","","0.0487","0.0391","","","0.1019","0.1067","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506937","7.423","0.0015","14.598","0.003","13.89","0.003","90","","92.82","0.03","90","","1503.3","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Muthyala, Rajeev S.; Subramaniam, Gopal; Todaro, Louis","The use of squaric acid as a scaffold for cofacial phenyl rings.","Organic letters","2004","6","25","4663","4665","10.1021/ol048139s","","","0.71073","MoKα","","0.1277","0.0698","","","0.1431","0.1666","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506938","7.2663","0.0007","9.8732","0.001","26.502","0.003","90","","95.2","0.003","90","","1893.5","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O8 -","- C18 H26 O8 -","- C72 H104 O32 -","4","1","","Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon","Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.","Organic letters","2004","6","23","4343","4345","10.1021/ol048140r","","","1.54178","CuKα","","0.0824","0.0589","","","0.1538","0.168","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506939","5.794","0.001","7.595","0.002","40.65","0.006","90","","90.91","0.01","90","","1788.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl O4 -","- C19 H23 Cl O4 -","- C76 H92 Cl4 O16 -","4","1","","Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon","Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.","Organic letters","2004","6","23","4343","4345","10.1021/ol048140r","","","1.54178","CuKα","","0.0783","0.0644","","","0.1728","0.1833","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506940","8.748","0.001","9.689","0.001","11.773","0.001","81.91","0.01","85.5","0.01","66.42","0.01","905.18","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Hulin, Bernard; Newton, Linda S.; Cabral, Shawn; Walker, Aaron J.; Bordner, Jon","Three-component, stereoselective palladium-catalyzed synthesis of functionalized bicyclopentanoids.","Organic letters","2004","6","23","4343","4345","10.1021/ol048140r","","","1.54178","CuKα","","0.0464","0.0433","","","0.1182","0.122","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506941","20.496","0.003","10.883","0.0016","20.523","0.003","90","","114.23","0.003","90","","4174.5","1.1","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 H50 -","- C60 H50 -","- C240 H200 -","4","0.5","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase.","Organic letters","2004","6","23","4355","4357","10.1021/ol0481434","","","0.71073","MoKα","","0.1152","0.0489","","","0.1062","0.1296","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506942","8.8482","0.0005","17.6806","0.0011","29.5631","0.0019","90","","90","","90","","4624.9","0.5","223","2","223","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C33 H28 -","- C33 H28 -","- C264 H224 -","8","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase.","Organic letters","2004","6","23","4355","4357","10.1021/ol0481434","","","0.71073","MoKα","","0.1468","0.0594","","","0.1224","0.1506","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506943","34.174","0.0017","6.545","0.0003","8.939","0.0006","90","","103.211","0.002","90","","1946.46","0.19","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H22 N O6 V -","- C18 H22 N O6 V -","- C72 H88 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.1029","0.0742","","","0.1643","0.1972","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506944","6.661","0.0002","9.106","0.0002","32.605","0.001","90","","90","","90","","1977.66","0.1","293","2","293","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C19 H24 N O6 V -","- C19 H24 N O6 V -","- C76 H96 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0899","0.0537","","","0.1134","0.143","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506945","9.521","0.002","32.527","0.007","6.7189","0.0013","90","","90","","90","","2080.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N O6 V -","- C19 H24 N O6 V -","- C76 H96 N4 O24 V4 -","4","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0695","0.0379","","0.0927","0.0824","","","","1.002","1.124","1.124","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506946","11.097","0.0004","7.218","0.0003","13.391","0.0007","90","","105.166","0.002","90","","1035.24","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N O6 V -","- C22 H22 N O6 V -","- C44 H44 N2 O12 V2 -","2","1","","Chen, Chien-Tien; Lin, Jin-Sheng; Kuo, Jen-Huang; Weng, Shiue-Shien; Cuo, Ting-Shen; Lin, Yi-Wen; Cheng, Chien-Chung; Huang, Yan-Chen; Yu, Jen-Kan; Chou, Pi-Tai","Site-selective DNA photocleavage involving unusual photoinitiated tautomerization of chiral tridentate vanadyl(V) complexes derived from N-salicylidene alpha-amino acids.","Organic letters","2004","6","24","4471","4474","10.1021/ol048156h","","","0.71073","MoKα","","0.0627","0.0519","","","0.1251","0.1396","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506947","6.36","0.013","7.68","0.03","14.36","0.04","89.06","0.13","79.77","0.17","73.49","0.13","661","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O2 S -","- C13 H16 N2 O2 S -","- C26 H32 N4 O4 S2 -","2","1","","Han, Hoon; Bae, Imhyuck; Yoo, Eun Jeong; Lee, Junseong; Do, Youngkyu; Chang, Sukbok","Notable coordination effects of 2-pyridinesulfonamides leading to efficient aziridination and selective aziridine ring opening.","Organic letters","2004","6","22","4109","4112","10.1021/ol0481784","","","0.71073","MoKα","","0.1226","0.1092","","","0.2914","0.3048","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506948","8.8086","0.0007","8.4239","0.0006","11.2036","0.001","90","","113.233","0.003","90","","763.92","0.11","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C32 H36 O12 -","2","1","","Le, Julie Cong-Dung; Pagenkopf, Brian L.","A new class of substituted aryl bis(oxazoline) ligands for highly enantioselective copper-catalyzed asymmetric aldol addition of dienolsilane to pyruvate and glyoxylate esters.","Organic letters","2004","6","22","4097","4099","10.1021/ol048179w","","","0.71073","MoKα","","0.08","0.0766","","","0.1357","0.1373","","","","","","1.327","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506949","10.2344","0.0002","9.9456","0.0003","15.2225","0.0004","90","","109.187","0.002","90","","1463.39","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C62 H84 N4 O8 -","2","1","","Le, Julie Cong-Dung; Pagenkopf, Brian L.","A new class of substituted aryl bis(oxazoline) ligands for highly enantioselective copper-catalyzed asymmetric aldol addition of dienolsilane to pyruvate and glyoxylate esters.","Organic letters","2004","6","22","4097","4099","10.1021/ol048179w","","","0.7107","MoKα","","0.0686","0.0429","","","0.0803","0.09","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506950","10.6312","0.0006","13.4978","0.0009","24.4697","0.0016","90","","90","","90","","3511.3","0.4","243","2","243","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 B F9 N2 O4 P S2 -","- C27 H43 B F9 N2 O4 P S2 -","- C108 H172 B4 F36 N8 O16 P4 S8 -","4","1","","Duncan, Andrew P.; Leighton, James L.","Enantioselective Cu-catalyzed conjugate addition of diethylzinc to acyclic aliphatic enones.","Organic letters","2004","6","22","4117","4119","10.1021/ol048191o","","","0.71073","MoKα","","0.0779","0.0526","","","0.1346","0.1472","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506951","8.6269","0.0003","6.722","0.0002","10.4529","0.0003","90","","92.173","0.002","90","","605.73","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I.","Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations.","Organic letters","2004","6","24","4487","4489","10.1021/ol048212e","","","1.54178","CuKα","","0.0401","0.0375","","","0.1341","0.1563","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506952","7.208","","7.208","","42.0575","0.0005","90","","90","","120","","1892.36","0.02","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C11 H17 Br O4 -","- C11 H17 Br O4 -","- C66 H102 Br6 O24 -","6","1","","Bravo, Fernando; McDonald, Frank E.; Neiwert, Wade A.; Hardcastle, Kenneth I.","Alkene substituents for selective activation of endo-regioselective polyepoxide oxacyclizations.","Organic letters","2004","6","24","4487","4489","10.1021/ol048212e","","","1.54178","CuKα","","0.027","0.0251","","","0.0857","0.0979","","","","","","1.152","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506953","12.7183","0.0005","15.7674","0.0007","16.5468","0.0007","67.448","0.002","67.65","0.002","71.824","0.002","2780.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 F24 O3 P2 -","- C56 H34 F24 O3 P2 -","- C112 H68 F48 O6 P4 -","2","1","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.1314","0.0973","","","0.2669","0.3056","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506954","28.7227","0.0013","8.4943","0.0004","17.9976","0.001","90","","109.824","0.002","90","","4130.8","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 F12 O2 P2 -","- C48 H28 F12 O2 P2 -","- C192 H112 F48 O8 P8 -","4","0.5","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.1205","0.0656","","","0.1655","0.2044","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506955","13.3186","0.0002","14.8047","0.0002","15.3134","0.0003","85.932","0.001","72.993","0.001","73.854","0.001","2773.35","0.08","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 F24 O P2 -","- C56 H34 F24 O P2 -","- C112 H68 F48 O2 P4 -","2","1","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.1398","0.1057","","","0.3239","0.357","","","","","","1.412","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506956","28.4224","0.0006","8.0575","0.0002","18.7865","0.0006","90","","110.05","0.001","90","","4041.61","0.19","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 F12 P2 -","- C48 H28 F12 P2 -","- C192 H112 F48 P8 -","4","0.5","","Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.","Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.","Organic letters","2004","6","25","4675","4678","10.1021/ol048227c","","","0.71073","MoKα","","0.0753","0.0608","","","0.161","0.1713","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506957","24.287","0.025","5.089","0.007","26.519","0.028","90","","103.94","0.01","90","","3181","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H41 N3 O8 -","- C30 H41 N3 O8 -","- C120 H164 N12 O32 -","4","1","","Ray, Sudipta; Haldar, Debasish; Drew, Michael G. B.; Banerjee, Arindam","A new motif in the formation of peptide nanotubes: the crystallographic signature.","Organic letters","2004","6","24","4463","4465","10.1021/ol048253a","","","0.71073","MoKα","","0.0909","0.068","","0.1924","0.1703","","","","1.166","1.215","1.215","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506958","24.3","0.029","5.062","0.006","25.97","0.026","90","","102.882","0.01","90","","3114","6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H39 N3 O8 -","- C29 H39 N3 O8 -","- C116 H156 N12 O32 -","4","1","","Ray, Sudipta; Haldar, Debasish; Drew, Michael G. B.; Banerjee, Arindam","A new motif in the formation of peptide nanotubes: the crystallographic signature.","Organic letters","2004","6","24","4463","4465","10.1021/ol048253a","","","0.71073","MoKα","","0.113","0.0776","","0.1839","0.1603","","","","1.185","1.272","1.272","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506959","6.9465","0.0003","13.0021","0.0005","20.3093","0.0008","90","","90","","90","","1834.32","0.13","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 S -","- C19 H26 N2 O3 S -","- C76 H104 N8 O12 S4 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.036","0.0307","","","0.0703","0.0729","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506960","7.9972","0.0004","11.8432","0.0005","14.5588","0.0006","90","","90","","90","","1378.9","0.11","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N3 O S -","- C13 H21 N3 O S -","- C52 H84 N12 O4 S4 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0252","0.024","","","0.0623","0.0634","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506961","7.323","0.002","17.75","0.005","19.552","0.005","81.888","0.004","88.834","0.005","88.885","0.005","2515.1","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H42 O3 S2 Si -","- C23 H42 O3 S2 Si -","- C92 H168 O12 S8 Si4 -","4","2","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.1355","0.1218","","","0.3458","0.3552","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506962","14.0471","0.0006","7.9277","0.0003","11.5877","0.0005","90","","102.849","0.001","90","","1258.11","0.09","163","2","163","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H18 O3 S2 -","- C11 H18 O3 S2 -","- C44 H72 O12 S8 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0221","0.0218","","","0.0579","0.0583","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506963","61.439","0.002","10.1168","0.0004","31.402","0.0012","90","","97.819","0.001","90","","19337","1.2","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O3 S3 -","- C23 H32 N2 O3 S3 -","- C736 H1024 N64 O96 S96 -","32","4","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0917","0.0473","","","0.1009","0.1223","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506964","12.1406","0.0018","13.1539","0.0019","12.965","0.0019","90","","113.258","0.002","90","","1902.2","0.5","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0695","0.0509","","","0.1321","0.1492","","","","","","1.032","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506965","9.4195","0.0003","21.7175","0.0006","10.4372","0.0003","90","","90.8136","0.0007","90","","2134.9","0.11","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl O4 -","- C24 H23 Cl O4 -","- C96 H92 Cl4 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio","In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.","Organic letters","2004","6","24","4475","4478","10.1021/ol0482846","","","0.7107","MoKα","","","0.08","","","","0.1689","","","","","","2.229","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506966","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2011","2","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio","In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.","Organic letters","2004","6","24","4475","4478","10.1021/ol0482846","","","0.7107","MoKα","","","0.0589","","","","0.1297","","","","","","1.661","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506967","15.306","0.003","11.1614","0.0018","9.8395","0.0016","90","","94.631","0.003","90","","1675.5","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","","Andreana, Peter R.; Liu, Chang C.; Schreiber, Stuart L.","Stereochemical control of the Passerini reaction.","Organic letters","2004","6","23","4231","4233","10.1021/ol0482893","","x-ray","0.71073","MoKα","","0.1004","0.073","","","0.1967","0.2173","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506968","9.4372","0.0008","20.8127","0.0016","36.61","0.003","90","","90","","90","","7190.7","1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O4 -","- C17 H18 Br N O4 -","- C272 H288 Br16 N16 O64 -","16","4","","Andreana, Peter R.; Liu, Chang C.; Schreiber, Stuart L.","Stereochemical control of the Passerini reaction.","Organic letters","2004","6","23","4231","4233","10.1021/ol0482893","","","0.71073","MoKα","","0.142","0.0622","","","0.0992","0.1229","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506969","6.1123","0.001","19.495","0.003","9.2417","0.0016","90","","107.676","0.003","90","","1049.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 F2 N2 O3 -","- C10 H12 F2 N2 O3 -","- C40 H48 F8 N8 O12 -","4","1","","Yang, Yan-Yan; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of 2',3'-dideoxy-6',6'-difluorocarbocyclic nucleosides.","Organic letters","2004","6","23","4257","4259","10.1021/ol0482947","","","0.71073","MoKα","","0.0703","0.0519","","","0.1306","0.1386","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506970","13.6603","0.0009","13.6603","0.0009","40.766","0.004","90","","90","","90","","7607.1","1","293.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-methylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C17 H24 N O2 P S -","- C17 H21 N O2 P S -","- C272 H336 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.0586","","","","0.0575","","","","","","0.679","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506971","13.7121","0.0011","13.7121","0.0011","40.339","0.003","90","","90","","90","","7584.6","1","293.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-chlorophenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C16 H21 Cl N O2 P S -","- C16 H21 Cl N O2 P S -","- C256 H336 Cl16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.0508","","","","0.0472","","","","","","0.556","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506972","13.8231","0.0008","13.8231","0.0008","39.921","0.003","90","","90","","90","","7628","0.8","123.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","(R)-1-(p-bromophenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","- C16 H21 Br N O2 P S -","- C16 H21 Br N O2 P S -","- C256 H336 Br16 N16 O32 P16 S16 -","16","2","","Kobayashi, Yuka; Morisawa, Fumi; Saigo, Kazuhiko","A new hydrogen-bonding motif for chiral recognition in the diastereomeric salts of racemic 1-phenylethylamine derivatives with enantiopure O-ethyl phenylphosphonothioic acid.","Organic letters","2004","6","23","4227","4230","10.1021/ol0483145","","","0.7107","MoKα","","","0.1041","","","","0.1137","","","","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506973","9.882","0.002","10.758","0.002","12.086","0.002","109.18","0.03","93.91","0.03","106.21","0.03","1147","0.5","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 Cl2 F12 N8 P2 Pd -","- C36 H62 Cl2 F12 N8 P2 Pd -","- C36 H62 Cl2 F12 N8 P2 Pd -","1","0.5","","Xiao, Ji-Chang; Twamley, Brendan; Shreeve, Jean'ne M.","An ionic liquid-coordinated palladium complex: a highly efficient and recyclable catalyst for the Heck reaction.","Organic letters","2004","6","21","3845","3847","10.1021/ol048327i","","","0.71073","MoKα","","0.0621","0.0495","","","0.1057","0.1112","","","","","","1.079","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1506974","9.6476","0.0017","8.9745","0.0016","11.493","0.002","90","","97.917","0.003","90","","985.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 F3 N O5 S -","- C18 H26 F3 N O5 S -","- C36 H52 F6 N2 O10 S2 -","2","1","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0459","0.0421","","","0.1035","0.1059","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506975","6.4665","0.0004","17.5592","0.001","23.0312","0.0013","90","","90","","90","","2615.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 F3 N O5 S -","- C28 H30 F3 N O5 S -","- C112 H120 F12 N4 O20 S4 -","4","1","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0314","0.0281","","","0.0791","0.0827","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506976","7.3611","0.0006","36.908","0.003","11.4393","0.0009","90","","90.954","0.001","90","","3107.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H42 Cl N O6 -","- C31 H42 Cl N O6 -","- C124 H168 Cl4 N4 O24 -","4","2","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0519","0.0485","","","0.1159","0.1176","","","","","","1.126","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506977","11.692","0.0008","8.756","0.0003","18.745","0.0012","90","","98.724","0.003","90","","1896.82","0.19","298","","","","","","","","","","Nakamura laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 F3 O4 S -","- C19 H21 F3 O4 S -","- C76 H84 F12 O16 S4 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.061","0.056","","0.123","0.123","0.123","","","0.443","0.456","0.456","0.456","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506978","8.134","0.0002","12.218","0.0007","18.929","0.0009","90","","90","","90","","1881.19","0.15","298","","","","","","","","","","Nakamura laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.04","0.039","","0.091","0.091","0.091","","","0.235","0.234","0.234","0.234","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506979","6.368","0.0003","8.179","0.0003","38.824","0.0009","90","","90","","90","","2022.1","0.13","298","","","","","","","","","","Nakamura laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C84 H96 O28 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.044","0.042","","0.094","0.094","0.094","","","0.297","0.294","0.294","0.294","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506980","15.563","0.0009","20.862","0.0011","12.575","0.0004","90","","99.303","0.003","90","","4029.1","0.3","298","","","","","","","","","","Nakamura laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C160 H224 O56 -","8","2","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.081","0.073","","0.186","0.184","0.184","","","0.526","0.552","0.552","0.552","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506981","8.661","0.0004","9.298","0.0007","12.915","0.001","90.589","0.004","99.965","0.005","108.2","0.005","970.81","0.12","298","","","","","","","","","","Nakamura laboratory","4","P -1","-P 1","2","","","","- C17 H26 O6 Si -","- C17 H26 O6 Si -","- C34 H52 O12 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.054","0.05","","0.103","0.103","0.103","","","0.355","0.347","0.347","0.347","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506982","6.424","0.0014","12.052","0.004","12.936","0.005","106.82","","103.22","0.02","105.12","0.02","873.9","0.5","298","","","","","","","","","","Nakamura laboratory","4","P -1","-P 1","2","","","","- C15 H24 O4 Si -","- C15 H24 O4 Si -","- C30 H48 O8 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.114","0.079","","0.204","0.197","0.197","","","0.927","0.598","0.598","0.598","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506983","10.319","0.0011","10.573","0.0006","10.446","0.001","90","","114.405","0.005","90","","1037.85","0.17","298","","","","","","","","","","Nakamura laboratory","4","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 Si -","- C21 H28 O4 Si -","- C42 H56 O8 Si2 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.1","0.091","","0.327","0.326","0.326","","","0.933","0.819","0.819","0.819","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506984","14.929","0.002","5.821","0.0003","21.044","0.002","90","","133.076","0.01","90","","1335.8","0.3","298","","","","","","","","","","Nakamura laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O6 -","- C28 H34 O6 -","- C56 H68 O12 -","2","0.5","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.168","0.141","","0.318","0.315","0.315","","","0.983","1.128","1.128","1.128","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506985","12.038","0.002","10.37","0.0006","18.678","0.002","90","","107.431","0.005","90","","2224.6","0.5","298","","","","","","","","","","Nakamura laboratory","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O9 -","- C24 H24 O9 -","- C96 H96 O36 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.138","0.091","","0.184","0.176","0.176","","","1.348","1.355","1.355","1.355","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506986","9.973","0.0005","11.377","0.001","10.87","0.001","94.578","0.004","99.652","0.005","104.643","0.005","1166.7","0.16","298","","","","","","","","","","Nakamura laboratory","3","P -1","-P 1","2","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C54 H60 O12 -","2","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.173","0.167","","0.486","0.486","0.486","","","1.142","1.242","1.242","1.242","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506987","13.4279","0.0002","16.455","0.0002","17.0828","0.0002","90","","90","","90","","3774.55","0.08","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H50 N2 O3 Si2 -","- C40 H50 N2 O3 Si2 -","- C160 H200 N8 O12 Si8 -","4","1","","Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony","Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams.","Organic letters","2004","6","24","4443","4446","10.1021/ol048348c","","","0.71073","MoKα","","0.0721","0.0419","","","0.0858","0.0978","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506988","11.5143","0.0003","13.7567","0.0004","12.1798","0.0004","90","","115.37","0.0013","90","","1743.21","0.09","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H50 N2 O3 Si2 -","- C33 H50 N2 O3 Si2 -","- C66 H100 N4 O6 Si4 -","2","1","","Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony","Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams.","Organic letters","2004","6","24","4443","4446","10.1021/ol048348c","","","0.71073","MoKα","","0.0447","0.04","","","0.0996","0.1042","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506989","22.321","0.005","23.158","0.005","10.204","0.005","90","0.005","90","0.005","90","0.005","5275","3","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C36 H40 S -","- C36 H40 S -","- C288 H320 S8 -","8","0.5","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0459","0.0406","","","0.0903","0.0921","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506990","22.182","0.005","9.474","0.005","19.654","0.005","90","0.005","90","0.005","90","0.005","4130","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H44 Cl10 S Sb -","- C38 H44 Cl10 S Sb -","- C152 H176 Cl40 S4 Sb4 -","4","0.5","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0844","0.0411","","","0.0504","0.0561","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506991","21.228","0.005","13.527","0.005","27.025","0.005","90","0.005","90","0.005","90","0.005","7760","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cl9 S Sb -","- C37 H42 Cl9 S Sb -","- C296 H336 Cl72 S8 Sb8 -","8","1","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0924","0.043","","","0.053","0.058","","","","","","0.858","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506992","8.66","0.001","13.115","0.001","23.23","0.001","90","","90","","90","","2638.4","0.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C112 H156 N4 O16 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0714","0.0564","","","0.1411","0.1524","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506993","8.88","0.001","18.897","0.001","14.191","0.001","90","","100.24","0.01","90","","2343.4","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C100 H132 N4 O16 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0755","0.0535","","","0.1431","0.1581","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506994","8.395","0.001","16.627","0.001","17.977","0.001","90","","92.14","0.01","90","","2507.5","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N O5 -","- C25 H39 N O5 -","- C100 H156 N4 O20 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0523","0.0419","","","0.1306","0.1373","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506995","9.286","0.0011","9.9036","0.0012","17.026","0.002","86.919","0.002","78.776","0.002","70.616","0.002","1448.7","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Compound 6","","","- C36 H33 N3 O4 -","- C36 H33 N3 O4 -","- C72 H66 N6 O8 -","2","1","","Hwang, Sung Hee; Lehman, Alan; Cong, Xin; Olmstead, Marilyn M.; Lam, Kit S.; Lebrilla, Carlito B.; Kurth, Mark J.","OBOC small-molecule combinatorial library encoded by halogenated mass-tags.","Organic letters","2004","6","21","3829","3832","10.1021/ol048408e","","","0.71073","MoKα","","0.0637","0.041","","","0.0918","0.0959","","","","","","0.865","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506996","28.551","0.009","5.731","0.002","12.165","0.003","90","","107.15","0.02","90","","1902","1","123.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C42 H40 Cl2 Rh2 -","- C42 H40 Cl2 Rh2 -","- C84 H80 Cl4 Rh4 -","2","0.5","","Shintani, Ryo; Ueyama, Kazuhito; Yamada, Ichiro; Hayashi, Tamio","Chiral norbornadienes as efficient ligands for the rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids to fumaric and maleic compounds.","Organic letters","2004","6","19","3425","3427","10.1021/ol048421z","","","0.7107","MoKα","","","0.038","","","","0.063","","","","","","0.878","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506997","5.321","0.0008","18.986","0.003","9.2062","0.0014","90","","99.43","0.003","90","","917.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 F2 N O4 S -","- C17 H21 F2 N O4 S -","- C34 H42 F4 N2 O8 S2 -","2","1","","Wu, Yun-Yun; Zhang, Xingang; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of new 2',3'-dideoxy-6',6'-difluoro-3'-thionucleoside from gem-difluorohomoallyl alcohol.","Organic letters","2004","6","22","3941","3944","10.1021/ol048423j","","","0.71073","MoKα","","0.0715","0.0528","","","0.0948","0.102","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506998","11.017","0.002","9.2673","0.0019","17.859","0.004","90","","107.935","0.004","90","","1734.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 F2 N O6 -","- C14 H25 F2 N O6 -","- C56 H100 F8 N4 O24 -","4","1","","Wu, Yun-Yun; Zhang, Xingang; Meng, Wei-Dong; Qing, Feng-Ling","Synthesis of new 2',3'-dideoxy-6',6'-difluoro-3'-thionucleoside from gem-difluorohomoallyl alcohol.","Organic letters","2004","6","22","3941","3944","10.1021/ol048423j","","","0.71073","MoKα","","0.1547","0.0543","","","0.1163","0.141","","","","","","0.772","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506999","22.8855","0.0009","16.1409","0.0006","17.7713","0.0007","90","","124.173","0.001","90","","5431.2","0.4","200","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C272 H256 N32 O16 -","8","1","","Zimmerman, Howard E.; Pushechnikov, Alexei","Synthesis of a highly reactive heterocyclic reactant and its unusual photochemistry; mechanistic and exploratory organic photochemistry.","Organic letters","2004","6","21","3779","3780","10.1021/ol048438h","","","0.71073","MoKα","","0.0557","0.0432","","","0.1159","0.131","","","","","","1.111","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507000","8.9324","0.0008","18.4511","0.0016","14.0752","0.0012","90","","92.582","0.002","90","","2317.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N2 O2.5 S -","- C22 H32 N2 O2.4405 S -","- C88 H128 N8 O9.762 S4 -","4","2","","Zhong, Yu-Wu; Xu, Ming-Hua; Lin, Guo-Qiang","Samarium diiodide-induced asymmetric synthesis of optically pure unsymmetrical vicinal diamines by reductive cross-coupling of nitrones with N-tert-butanesulfinyl imines.","Organic letters","2004","6","22","3953","3956","10.1021/ol048444d","","","0.71073","MoKα","","0.1232","0.059","","","0.1309","0.1845","","","","","","0.888","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507001","56.1718","0.0013","10.7872","0.0002","22.9569","0.0006","90","","101.543","0.001","90","","13629.1","0.5","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl3 F6 N3 O15.5 P3 -","- C50 H78 Cl3 F6 N3 O15.5 P3 -","- C400 H624 Cl24 F48 N24 O124 P24 -","8","1","","Hung, Wei-Chung; Liao, Kang-Shyang; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Mild and high-yielding syntheses of diethyl phosphoramidate-stoppered [2]rotaxanes.","Organic letters","2004","6","23","4183","4186","10.1021/ol0484557","","","0.71073","MoKα","","0.2418","0.1386","","","0.3632","0.4067","","","","","","1.224","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507002","6.1035","0.0003","8.9701","0.0005","9.7458","0.0005","117.015","0.001","93.643","0.001","94.915","0.001","470.44","0.04","170.2","","","","","","","","","","","5","P 1","P 1","1","","","","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","1","1","","Schenkel, Laurie B.; Ellman, Jonathan A.","Self-condensation of N-tert-butanesulfinyl aldimines: application to the rapid asymmetric synthesis of biologically important amine-containing compounds.","Organic letters","2004","6","20","3621","3624","10.1021/ol048458j","","","0.7107","MoKα","","","0.0293","","","","0.0335","","","","","","1.411","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507003","8.2637","0.0004","8.5345","0.0004","21.871","0.001","90","","90","","90","","1542.49","0.13","169.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N2 O2 S2 -","- C14 H28 N2 O2 S2 -","- C56 H112 N8 O8 S8 -","4","1","","Schenkel, Laurie B.; Ellman, Jonathan A.","Self-condensation of N-tert-butanesulfinyl aldimines: application to the rapid asymmetric synthesis of biologically important amine-containing compounds.","Organic letters","2004","6","20","3621","3624","10.1021/ol048458j","","","0.7107","MoKα","","","0.0335","","","","0.0432","","","","","","1.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507004","8.9292","0.0017","13.439","0.003","16.334","0.003","109.518","0.003","99.424","0.004","93.348","0.004","1809","0.6","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N2 O11 -","- C38 H44 N2 O11 -","- C76 H88 N4 O22 -","2","1","","Davies, Mark W.; Maskell, Lesley; Shipman, Michael; Slawin, Alexandra M. Z.; Vidot, Sandrine M. E.; Whatmore, Jacqueline L.","Studies toward the synthesis of luminacin D: assembly of simplified analogues devoid of the epoxide displaying antiangiogenic activity.","Organic letters","2004","6","22","3909","3912","10.1021/ol048462v","","","0.71073","MoKα","","0.1365","0.0732","","","0.166","0.2","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507005","9.6884","0.0011","17.902","0.002","11.163","0.0013","90","","93.511","0.002","90","","1932.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","03113b","","","- C18 H24 I N O3 -","- C18 H24 I N O3 -","- C72 H96 I4 N4 O12 -","4","2","","Koposov, Alexey Y.; Boyarskikh, Vyacheslav V.; Zhdankin, Viktor V.","Amino acid-derived iodobenzene dicarboxylates: reagents for oxidative conversion of alkenes to amino acid esters.","Organic letters","2004","6","20","3613","3615","10.1021/ol0484714","","","0.71073","MoKα","","0.0648","0.0513","","","0.1318","0.1418","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507006","9.5718","0.0009","6.7804","0.0006","19.5091","0.0018","90","","99.319","0.002","90","","1249.4","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 Cl2 O3 -","- C12 H14 Cl2 O3 -","- C48 H56 Cl8 O12 -","4","2","","Kim, Tae Woo; Kool, Eric T.","A set of nonpolar thymidine nucleoside analogues with gradually increasing size.","Organic letters","2004","6","22","3949","3952","10.1021/ol048487u","","","0.71073","MoKα","","0.0419","0.0345","","","0.0722","0.0742","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507007","36.82","0.003","29.693","0.003","38.2","0.003","90","","113.646","0.002","90","","38257","6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C89 H81 Br N8 O9 -","- C87.885 H36.5 Br0.9 N8 O8.7575 -","- C1406.16 H584 Br14.4 N128 O140.12 -","16","2","","Ihm, Hyejae; Ahn, Jae-Suk; Lah, Myoung Soo; Ko, Young Ho; Paek, Kyungsoo","Oligobisvelcraplex: self-assembled linear oligomer by solvophobic pi-pistacking interaction of bisvelcrands based on resorcin[4]arene.","Organic letters","2004","6","22","3893","3896","10.1021/ol048539f","","","0.71073","MoKα","","0.4691","0.2233","","","0.5004","0.5895","","","","","","1.296","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507008","8.7139","0.0008","12.3265","0.0012","19.2851","0.0019","90","","101.066","0.002","90","","2032.9","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MAGYT03","","","- C24 H26 O3 S -","- C24 H26 O3 S -","- C96 H104 O12 S4 -","4","1","","Magomedov, Nabi A.; Ruggiero, Piero L.; Tang, Yuchen","Chemoselective cyclizations of divinyl ketones to cyclohexenones mediated by Lewis acid and base.","Organic letters","2004","6","19","3373","3375","10.1021/ol048545b","","","0.71073","MoKα","","0.1278","0.0671","","","0.1427","0.1654","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507009","9.1625","0.0006","9.4824","0.0007","11.9168","0.0008","74.035","0.001","74.343","0.001","71.973","0.001","927.03","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGYT04","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","","Magomedov, Nabi A.; Ruggiero, Piero L.; Tang, Yuchen","Chemoselective cyclizations of divinyl ketones to cyclohexenones mediated by Lewis acid and base.","Organic letters","2004","6","19","3373","3375","10.1021/ol048545b","","","0.71073","MoKα","","0.0758","0.0591","","","0.1519","0.1625","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507010","8.3304","0.0002","9.7389","0.0003","11.381","0.0003","75.956","0.001","88.214","0.001","83.302","0.001","889.61","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","MAGYT05","","","- C21 H20 O3 S -","- C21 H20 O3 S -","- C42 H40 O6 S2 -","2","1","","Magomedov, Nabi A.; Ruggiero, Piero L.; Tang, Yuchen","Chemoselective cyclizations of divinyl ketones to cyclohexenones mediated by Lewis acid and base.","Organic letters","2004","6","19","3373","3375","10.1021/ol048545b","","","0.71073","MoKα","","0.058","0.0554","","","0.1447","0.1468","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507011","14.065","0.004","13.737","0.004","21.407","0.006","90","","97.789","0.004","90","","4098","2","173.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl2 F6 P2 Rh Sb -","- C44 H38 Cl2 F6 P2 Rh Sb -","- C176 H152 Cl8 F24 P8 Rh4 Sb4 -","4","1","","Mikami, Koichi; Kataoka, Shohei; Yusa, Yukinori; Aikawa, Kohsuke","Racemic but tropos (chirally flexible) BIPHEP ligands for Rh(I)-complexes: highly enantioselective ene-type cyclization of 1,6-enynes.","Organic letters","2004","6","21","3699","3701","10.1021/ol048604l","","","0.7107","MoKα","","","0.062","","","","0.081","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507012","6.2915","0.001","16.082","0.003","30.679","0.005","90","","90","","90","","3104.1","0.9","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H54 O2 -","- C35 H54 O2 -","- C140 H216 O8 -","4","1","","Chen, Shui-Ling; Hu, Qi-Ying; Loh, Teck-Peng","Highly efficient chemical kinetic resolution of bishomoallylic alcohols: synthesis of (R)-sulcatol.","Organic letters","2004","6","19","3365","3367","10.1021/ol048608q","","","0.71073","MoKα","","0.1117","0.083","","","0.1702","0.1836","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507013","7.8878","0.0011","26.234","0.004","8.5049","0.0012","90","","98.916","0.003","90","","1738.6","0.4","190","2","190","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0422","0.0411","","","0.0999","0.1008","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507014","8.7254","0.0006","11.6057","0.0008","14.7488","0.001","95.048","0.001","103.587","0.001","92.874","0.001","1442.23","0.17","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H29 N3 O4 -","- C37 H29 N3 O4 -","- C74 H58 N6 O8 -","2","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0733","0.0462","","","0.0872","0.0938","","","","","","0.968","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507015","15.6207","0.0014","8.2864","0.0007","25.983","0.002","90","","97.171","0.002","90","","3336.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 N2 O6 -","- C42 H32 N2 O6 -","- C168 H128 N8 O24 -","4","1","","Shotwell, Sandra; Windscheif, Paul M.; Smith, Mark D.; Bunz, Uwe H. F.","Pyridine-capped, oligomeric (o-phenyleneethynylene)s.","Organic letters","2004","6","23","4151","4154","10.1021/ol048609i","","","0.71073","MoKα","","0.0746","0.0482","","","0.0982","0.108","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507016","8.5498","0.0005","14.413","0.001","14.731","0.002","89.934","0.004","90.007","0.006","82.093","0.002","1798","0.3","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cu I N Si -","- C12.8 H15.2 Cu0.8 I0.8 N0.8 Si0.8 -","- C64 H76 Cu4 I4 N4 Si4 -","5","2.5","","Itami, Kenichiro; Ushiogi, Yousuke; Nokami, Toshiki; Ohashi, Youichi; Yoshida, Jun-ichi","Stereoselective synthesis of multisubstituted butadienes through directed Mizoroki-Heck reaction and homocoupling reaction of vinyl(2-pyridyl)silane.","Organic letters","2004","6","21","3695","3698","10.1021/ol048620i","","","0.7107","MoKα","","","0.041","","","","0.068","","","","","","2.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507017","6.7316","0.0003","6.8747","0.0004","7.3778","0.0004","97.952","0.002","111.418","0.002","109.334","0.002","286.57","0.03","100","","","","","","","","","","Eschenmoser group","4","P -1","-P 1","2","","","","- C5 H4 N4 O2 -","- C5 H4 N4 O2 -","- C10 H8 N8 O4 -","2","1","","Han, Bo; Jaun, Bernhard; Krishnamurthy, Ramanarayanan; Eschenmoser, Albert","Mannich-type C-nucleosidations in the 5,8-diaza-7,9-dicarba-purine family.","Organic letters","2004","6","21","3691","3694","10.1021/ol048649m","","","0.71073","MoKα","","0.0669","0.0527","","","0.154","0.168","","","","","","1.138","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507018","8.5098","0.0002","11.748","0.0002","12.9896","0.0004","76.8314","0.001","86.725","0.001","68.9497","0.001","1179.64","0.05","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","1","0.5","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.0813","0.0534","","","0.1455","0.1622","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507019","11.223","0.0001","17.554","0.0002","22.035","0.0003","91.115","0.0006","99.432","0.0006","95.104","0.0005","4262.85","0.09","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 S2 Si2 -","- C48 H50 S2 Si2 -","- C192 H200 S8 Si8 -","4","2","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.1675","0.1183","","","0.3257","0.3475","","","","","","2.234","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507020","8.7865","0.0003","17.6967","0.0007","12.1065","0.0005","90","","90.4638","0.0018","90","","1882.4","0.13","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 S2 Si2 -","- C40 H50 S2 Si2 -","- C80 H100 S4 Si4 -","2","0.5","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.1011","0.0452","","","0.086","0.1009","","","","","","1.389","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507021","8.6921","0.0002","17.7256","0.0004","13.3778","0.0003","90","","100.094","0.001","90","","2029.25","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 S2 Si2 -","- C44 H52 S2 Si2 -","- C88 H104 S4 Si4 -","2","1","","Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.","Stable, crystalline acenedithiophenes with up to seven linearly fused rings.","Organic letters","2004","6","19","3325","3328","10.1021/ol048686d","","","0.71073","MoKα","","0.0958","0.0552","","","0.1131","0.1294","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507022","9.095","0.005","9.85","0.005","24.523","0.005","90","0.005","92.51","0.005","90","0.005","2194.8","1.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-sila-2-indenyl)benzene","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C104 H104 Si8 -","4","1","","Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.","Organic letters","2004","6","21","3707","3710","10.1021/ol0486932","","","0.71069","MoKα","","0.0583","0.0451","","","0.1092","0.1162","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507023","6.75","0.004","16.542","0.01","20.635","0.012","90","","90","","90","","2304","2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C104 H104 Si8 -","4","0.5","","Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.","Organic letters","2004","6","21","3707","3710","10.1021/ol0486932","","","0.7107","MoKα","","0.0638","0.0574","","","0.1533","0.1597","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507024","10.713","0.001","12.332","0.002","15.377","0.003","82.115","0.012","82.148","0.012","62.851","0.008","1784.3","0.5","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Cl2 N3 S3 -","- C43 H29 Cl2 N3 S3 -","- C86 H58 Cl4 N6 S6 -","2","1","","Okamoto, Toshihiro; Kuratsu, Masato; Kozaki, Masatoshi; Hirotsu, Ken; Ichimura, Akio; Matsushita, Toshio; Okada, Keiji","Remarkable structure deformation in phenothiazine trimer radical cation.","Organic letters","2004","6","20","3493","3496","10.1021/ol048698z","","","0.7107","MoKα","","","0.078","","","","0.173","","","","","","0.926","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507025","27.6","0.03","9.129","0.008","15.39","0.01","90","","94.647","0.013","90","","3865","6","113.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H27 F6 N3 P S3 -","- C42 H27 F6 N3 P S3 -","- C168 H108 F24 N12 P4 S12 -","4","1","","Okamoto, Toshihiro; Kuratsu, Masato; Kozaki, Masatoshi; Hirotsu, Ken; Ichimura, Akio; Matsushita, Toshio; Okada, Keiji","Remarkable structure deformation in phenothiazine trimer radical cation.","Organic letters","2004","6","20","3493","3496","10.1021/ol048698z","","","0.7107","MoKα","","","0.087","","","","0.234","","","","","","0.934","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507026","21.64","0.003","5.7416","0.0007","9.5059","0.0012","90","","92.236","0.002","90","","1180.2","0.3","206","2","206","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 S -","- C12 H15 N O2 S -","- C48 H60 N4 O8 S4 -","4","1","","Dong, Chune; Alper, Howard","Highly regioselective synthesis of tetrahydro-2H-1,3-thiazin-2-ones via rhodium-catalyzed carbonylation of N-alkylisothiazolidines.","Organic letters","2004","6","20","3489","3492","10.1021/ol048706b","","","0.71073","MoKα","","0.0957","0.0609","","","0.1262","0.1377","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507027","9.2256","0.0004","16.5536","0.0008","21.0141","0.001","90","","90","","90","","3209.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Fe N2 O3 P -","- C37 H35 Fe N2 O3 P -","- C148 H140 Fe4 N8 O12 P4 -","4","1","","Hou, Xue-Long; Sun, Na","Construction of chiral quaternary carbon centers by Pd-catalyzed asymmetric allylic substitution with P,N-1,1'-ferrocene ligands.","Organic letters","2004","6","24","4399","4401","10.1021/ol048729q","","","0.71073","MoKα","","0.0995","0.0362","","","0.0482","0.0539","","","","","","0.645","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507028","14.1031","0.0014","14.1003","0.0011","7.1912","0.0007","90","","104.698","0.008","90","","1383.2","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F3 N O -","- C17 H12 F3 N O -","- C68 H48 F12 N4 O4 -","4","1","","Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido","One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.","Organic letters","2004","6","20","3477","3480","10.1021/ol048759t","","","0.71073","MoKα","","0.0541","0.0406","","","0.1028","0.1089","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507029","7.588","0.0008","21.2436","0.0017","7.9723","0.0009","90","","92.095","0.009","90","","1284.2","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido","One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.","Organic letters","2004","6","20","3477","3480","10.1021/ol048759t","","","0.71073","MoKα","","0.047","0.0342","","","0.0856","0.0908","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507030","8.3974","0.0015","9.0952","0.0013","10.0046","0.0015","95.733","0.017","111.551","0.018","97.026","0.019","696.6","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","","Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido","One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.","Organic letters","2004","6","20","3477","3480","10.1021/ol048759t","","","0.71073","MoKα","","0.076","0.039","","","0.0831","0.093","","","","","","0.849","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507031","9.8136","0.001","37.446","0.004","15.032","0.0016","90","","90.095","0.002","90","","5524","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H29 N O2 S -","- C34 H29 N O2 S -","- C272 H232 N8 O16 S8 -","8","4","","Hong, Bor-Cherng; Wu, Jian-Lin; Gupta, Arun Kumar; Hallur, Mahanandeesha Siddappa; Liao, Ju-Hsiou","Azadiene Diels-Alder cycloaddition of fulvenes: a facile approach to the [1]pyrindine system","Organic Letters","2004","6","20","3453","3456","10.1021/ol048762c","","","0.71073","MoKα","","0.1334","0.0852","","","0.1495","0.1701","","","","","","1.093","","","","has coordinates","218599","2020-10-21","18:00:00",""
"1507032","17.5841","0.0015","9.7852","0.0008","18.2955","0.0015","90","","110.924","0.001","90","","2940.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Br2 N O2 S -","- C34 H27 Br2 N O2 S -","- C136 H108 Br8 N4 O8 S4 -","4","1","","Hong, Bor-Cherng; Wu, Jian-Lin; Gupta, Arun Kumar; Hallur, Mahanandeesha Siddappa; Liao, Ju-Hsiou","Azadiene Diels-Alder cycloaddition of fulvenes: a facile approach to the [1]pyrindine system","Organic Letters","2004","6","20","3453","3456","10.1021/ol048762c","","","0.71073","MoKα","","0.0611","0.0457","","","0.125","0.1357","","","","","","1.039","","","","has coordinates","218599","2020-10-21","18:00:00",""
"1507033","10.9208","0.0019","19.911","0.004","7.9921","0.0014","90","","90","","90","","1737.8","0.6","206","2","206","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Sauer, Effiette L. O.; Barriault, Louis","Studies toward the total synthesis of Wiedemannic acid.","Organic letters","2004","6","19","3329","3332","10.1021/ol0487635","","","0.71073","MoKα","","0.0887","0.0646","","","0.1373","0.1455","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507034","10.848","0.0003","11.075","0.0002","44.85","0.0015","90","","90","","90","","5388.4","0.3","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O3 S -","- C32 H30 N2 O3 S -","- C256 H240 N16 O24 S8 -","8","2","","Scott, Mark E.; Han, Wooseok; Lautens, Mark","A highly diastereoselective MgI2-mediated ring expansion of methylenecyclopropanes.","Organic letters","2004","6","19","3309","3312","10.1021/ol048769u","","","0.71073","MoKα","","0.0604","0.0441","","","0.0983","0.108","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507035","13.408","0.001","15.869","0.001","9.591","0.001","90","","90","","90","","2040.7","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","(20E,1S,4R,7S,10S,13R,16S)-4,13-dibenzyl-7,8,16,17- di(propane-1,3-diyl)-2,5,8,11,14,17-hexaaza- bicyclo[8.8.4]docos-20-ene-3,6,9,12,15,18-hexaone","","- C36 H52 N6 O11 -","- C36 H52 N6 O11 -","- C72 H104 N12 O22 -","2","0.5","","Giovannoni, Jérôme; Didierjean, Claude; Durand, Philippe; Marraud, Michel; Aubry, André; Renaut, Patrice; Martinez, Jean; Amblard, Muriel","Synthesis and structure of symmetrical bicyclic hexapeptides bridged by metathesis reaction.","Organic letters","2004","6","20","3449","3452","10.1021/ol0487940","","x-ray","1.5418","CuKα","","0.0615","0.0589","","","0.1676","0.1731","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507036","13.815","0.004","30.518","0.009","11.346","0.004","90","","109.457","0.006","90","","4510","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 N O7 -","- C55 H57 N O7 -","- C220 H228 N4 O28 -","4","1","","Bu, Jian-Hua; Zheng, Qi-Yu; Chen, Chuan-Feng; Huang, Zhi-Tang","New fluorescence-quenching process through resumption of PET process induced by complexation of alkali metal ion.","Organic letters","2004","6","19","3301","3303","10.1021/ol0487985","","","0.71073","MoKα","","0.2026","0.0794","","","0.1723","0.2152","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507037","10.057","0.003","5.0142","0.0014","14.802","0.004","90","","102.739","0.006","90","","728.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C34 H30 Br2 O2 -","2","1","","Li, Ming; Yan, Xiao-Xia; Hong, Wei; Zhu, Xia-Zhen; Cao, Bo-Xun; Sun, Jie; Hou, Xue-Long","Palladium-catalyzed enantioselective ring opening of oxabicyclic alkenes with organozinc halides.","Organic letters","2004","6","16","2833","2835","10.1021/ol048816i","","","0.71073","MoKα","","0.1153","0.0676","","","0.1446","0.1676","","","","","","0.928","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507038","4.776","0.001","13.918","0.003","14.7","0.003","90","","90","","90","","977.1","0.4","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C10 H4 S4 -","- C10 H4 S4 -","- C40 H16 S16 -","4","0.5","","Nenajdenko, Valentine G.; Sumerin, Viktor V.; Chernichenko, Konstantin Yu; Balenkova, Elizabeth S.","A new route to annulated oligothiophenes.","Organic letters","2004","6","20","3437","3439","10.1021/ol048835s","","","0.71073","MoKα","","0.035","0.027","","","0.0671","0.0686","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507039","9.62","0.002","13.402","0.002","15.351","0.003","106.18","0.02","96.31","0.02","98.8","0.02","1854","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N6 O6 -","- C42 H42 N6 O6 -","- C84 H84 N12 O12 -","2","1","","Jiang, Hua; Léger, Jean-Michel; Guionneau, Philippe; Huc, Ivan","Strained aromatic oligoamide macrocycles as new molecular clips.","Organic letters","2004","6","17","2985","2988","10.1021/ol0488643","","","1.5418","CuKα","","0.0684","0.0611","","","0.1695","0.1769","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507040","33.03","0.001","33.03","0.001","56.6","0.003","90","","90","","120","","53477","4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C118 H117 Cl N16 O18 -","- C118 H117 Cl N16 O18 -","- C2124 H2106 Cl18 N288 O324 -","18","1","","Jiang, Hua; Léger, Jean-Michel; Guionneau, Philippe; Huc, Ivan","Strained aromatic oligoamide macrocycles as new molecular clips.","Organic letters","2004","6","17","2985","2988","10.1021/ol0488643","","","0.71073","MoKα","","0.2166","0.1258","","","0.3308","0.4137","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507041","11.5732","0.0007","13.1817","0.0008","13.4093","0.0008","90","","94.826","0.001","90","","2038.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 F3 N O3 Sn -","- C17 H24 F3 N O3 Sn -","- C68 H96 F12 N4 O12 Sn4 -","4","1","","Schulz, Mark J.; Coats, Steven J.; Hlasta, Dennis J.","Microwave-assisted preparation of aryltetrazoleboronate esters.","Organic letters","2004","6","19","3265","3268","10.1021/ol048896q","","","0.71073","MoKα","","0.0316","0.0288","","","0.0805","0.0823","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507042","9.7408","0.0004","17.4668","0.0007","25.7256","0.0012","90","","90","","90","","4377","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4:15,16-dibenzo-5,8,11,14-tetraoxa-bicyclo[16.3.1]docosa-1(21),3,15,18(22),19-pentaen-22-ol","","- C26 H28 O5 -","- C26 H28 O5 -","- C208 H224 O40 -","8","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.2851","0.067","","","0.0983","0.1496","","","","","","0.936","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507043","15.8459","0.0002","16.8743","0.0003","19.5577","0.0004","71.975","0.001","75.676","0.001","72.658","0.001","4676.92","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18,24,27(31),28-decaene-31,32-diol aniline solvate","","- C115 H112.5 N4.5 O12 -","- C115 H102 N4.5 O12 -","- C230 H204 N9 O24 -","2","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.2074","0.0681","","","0.1462","0.185","","","","","","0.943","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507044","12.3043","0.0003","12.9833","0.0003","15.1589","0.0004","78.598","0.001","71.58","0.001","64.698","0.001","2071.61","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18,24,27(31),28-decaene-31,32-diol ethylenediamine/dichloromethane inclusion complex","","- C47 H50 Cl2 N2 O6 -","- C47 H50 Cl2 N2 O6 -","- C94 H100 Cl4 N4 O12 -","2","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.1354","0.0511","","","0.1088","0.1321","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507045","9.2697","0.0003","12.5253","0.0003","12.7887","0.0004","98.471","0.001","107.044","0.001","110.474","0.001","1277.17","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18,24,27(31),28-decaene-31,32-diol phenylisopropylamine inclusion complex","","- C62 H66 N2 O6 -","- C62 H66 N2 O6 -","- C62 H66 N2 O6 -","1","0.5","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.111","0.0737","","","0.1951","0.2205","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507046","5.8657","0.0002","13.2154","0.0004","30.0592","0.001","90","","90","","90","","2330.12","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4:15,16-Dibenzo-5,14-dioxa-bicyclo[16.3.1]docosa-1,3,15,17-tetraen-22-one","","- C28 H32 O3 -","- C28 H32 O3 -","- C112 H128 O12 -","4","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.1755","0.0627","","","0.12","0.1505","","","","","","0.901","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507047","11.4843","0.0002","23.5263","0.0003","8.0456","0.0001","90","","90","","90","","2173.79","0.05","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3,4:15,16-Dibenzo-5,8,11,14-tetraoxa-bicyclo[16.3.1]docosa-1,3,15,17-tetraen-22-one","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.073","0.0528","","","0.1377","0.1497","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507048","18.0398","0.0005","8.829","0.0005","25.0282","0.0002","90","","107.302","0.003","90","","3805.9","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo[25.3.1.112,16]-dotriaconta-1,3,9,11,16,18,24,26-octaene-31,32-dione acetonitrile dichloromethane solvate","","- C91.5 H86 Cl3 N O12 -","- C91.5 H83 Cl3 N O12 -","- C183 H166 Cl6 N2 O24 -","2","0.25","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.2822","0.1016","","","0.2066","0.2711","","","","","","0.948","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507049","14.167","0.003","6.0636","0.0011","15.534","0.003","90","","101.632","0.008","90","","1307","0.4","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-(2'-Methylphenyl)ethanol (1S,2R)-2-amino-1,2-diphenylethanol benzoic acid","","- C30 H33 N O4 -","- C30 H33 N O4 -","- C60 H66 N2 O8 -","2","1","","Kobayashi, Yuka; Kodama, Koichi; Saigo, Kazuhiko","Supramolecular architecture consisting of an enantiopure amine and an achiral carboxylic acid: application to the enantioseparation of racemic alcohols.","Organic letters","2004","6","17","2941","2944","10.1021/ol048948b","","","0.7107","MoKα","","","0.062","","","","0.109","","","","","","0.967","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507050","10.471","0.002","9.614","0.002","22.286","0.005","90","","96.47","0.02","90","","2229.2","0.8","302","2","302","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O9 -","- C24 H20 N2 O9 -","- C96 H80 N8 O36 -","4","1","","Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao","Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.","Organic letters","2004","6","18","3071","3074","10.1021/ol0489494","","","0.71073","MoKα","","0.0626","0.0365","","","0.0836","0.0892","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507051","21.029","0.005","13.441","0.003","8.726","0.002","90","","94.38","0.02","90","","2459.2","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O7 -","- C27 H25 N O7 -","- C108 H100 N4 O28 -","4","1","","Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao","Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.","Organic letters","2004","6","18","3071","3074","10.1021/ol0489494","","","0.71073","MoKα","","0.0931","0.0386","","","0.0666","0.0757","","","","","","0.81","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507052","14.663","0.003","10.387","0.001","16.994","0.003","90","","110.84","0.01","90","","2418.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O7 -","- C27 H25 N O7 -","- C108 H100 N4 O28 -","4","1","","Lu, Chong-Dao; Chen, Zhi-Yong; Liu, Hui; Hu, Wen-Hao; Mi, Ai-Qiao","Highly chemoselective 2,4,5-triaryl-1,3-dioxolane formation from intermolecular 1,3-dipolar addition of carbonyl ylide with aryl aldehydes.","Organic letters","2004","6","18","3071","3074","10.1021/ol0489494","","","0.71073","MoKα","","0.0802","0.0389","","","0.0791","0.0877","","","","","","0.829","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507053","5.2929","0.0009","12.414","0.002","24.582","0.004","90","","94.917","0.003","90","","1609.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O5 S2 -","- C14 H14 N2 O5 S2 -","- C56 H56 N8 O20 S8 -","4","1","","Sanchez, Sylvie; Bateson, John H.; O'Hanlon, Peter J; Gallagher, Timothy","S-alkyl dithioformates as 1,3-dipolarophiles. Generation of C(2)-unsubstituted penems.","Organic letters","2004","6","16","2781","2783","10.1021/ol048991z","","","0.71073","MoKα","","0.1516","0.0551","","","0.094","0.1172","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507054","16.099","","18.769","","16.86","","90","","91.67","","90","","5092.29","","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H78 O12 -","- C51 H71 O12 -","- C204 H284 O48 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Martino, Marco; Gavuzzo, Enrico; Neri, Placido","Oxygenation of calixarene phenol rings.","Organic letters","2004","6","18","3027","3030","10.1021/ol048992r","","","1.54178","CuKα","","0.083","0.083","","0.089","0.089","","","","4.234","4.234","4.234","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507055","11.856","0.0003","24.0874","0.0006","24.6255","0.0007","90","","90","","90","","7032.6","0.3","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C71 H72 Cl2 N2 P2 Ru Si2 -","- C71 H72 Cl2 N2 P2 Ru Si2 -","- C284 H288 Cl8 N8 P8 Ru4 Si8 -","4","1","","Hu, Aiguo; Ngo, Helen L.; Lin, Wenbin","4,4'-Disubstituted BINAPs for highly enantioselective Ru-catalyzed asymmetric hydrogenation of ketones.","Organic letters","2004","6","17","2937","2940","10.1021/ol048993j","","","0.71073","MoKα","","0.0692","0.0615","","","0.1763","0.1835","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507056","12.75","0.003","12.54","0.002","33.75","0.007","90","","99.36","0.03","90","","5324.3","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","calixarene","","","- C53 H66 Cl3 N3 O6 -","- C53 H66 Cl3 N3 O6 -","- C212 H264 Cl12 N12 O24 -","4","1","","Yakovenko, Anton V.; Boyko, Vyacheslav I.; Kushnir, Oleg V.; Tsymbal, Ivan F.; Lipkowski, Janusz; Shivanyuk, Alexander; Kalchenko, Vitaly I.","Selective mono-O-acylation of C2V-symmetrical calix[4]arenediols with acylisocyanates.","Organic letters","2004","6","16","2769","2772","10.1021/ol049030n","","","0.71073","MoKα","","0.1338","0.0839","","","0.2227","0.2916","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507057","11.134","0.0005","6.498","0.0003","10.429","0.0005","90","","90","","90","","754.52","0.06","298","","","","","","","","","","Local laboratory","4","P c a 21","P 2c -2ac","29","","7,8-Dithiabicyclo[4.2.1]nonane 7-exo-oxide","","- C7 H8 O S2 -","- C7 H8 O S2 -","- C28 H32 O4 S8 -","4","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","0.71073","MoKα","","0.0281","0.0279","","","0.0793","0.0796","","","","","","1.193","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507058","19.794","0.002","6.216","0.0007","12.889","0.0013","90","","90","","90","","1585.9","0.3","298","","","","","","","","","","Local laboratory","4","P c a 21","P 2c -2ac","29","","7,8-Dithiabicyclo[4.2.1]nonane 7-exo, 8-exo-dioxide","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C56 H64 O16 S16 -","8","2","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","0.71073","MoKα","","0.0773","0.069","","","0.1801","0.1868","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507059","6.8235","0.0008","10.803","0.002","11.2552","0.0014","90","","107.058","0.009","90","","793.2","0.2","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","7,8-Dithiabicyclo[4.2.1]nona-2,4-diene 7,7-dioxide","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C28 H32 O8 S8 -","4","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","1.54178","CuKα","","0.0357","0.0355","","","0.097","0.097","","","","","","1.142","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507060","25.122","0.008","7.078","0.002","7.922","0.003","90","","90","","90","","1408.6","0.8","298","","","","","","","","","","Local laboratory","4","P n m a","-P 2ac 2n","62","","8-Thiabicyclo[3.2.1]octa-2,6-diene 8,8-dioxide","","- C7 H8 O2 S2 -","- C7 H5 O2 S -","- C56 H40 O16 S8 -","8","1","","Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo","First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.","Organic letters","2004","6","15","2623","2626","10.1021/ol049031f","","","1.54178","CuKα","","0.0993","0.0934","","","0.244","0.2494","","","","","","1.154","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507061","14.0191","0.0002","9.9445","0.0001","18.9747","0.0003","90","","102.571","0.0013","90","","2581.9","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 N4 O8 -","- C60 H62 N4 O8 -","- C120 H124 N8 O16 -","2","0.5","","Suijkerbuijk, Bart M. J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Pincer-porphyrin hybrids.","Organic letters","2004","6","18","3023","3026","10.1021/ol049034s","","","0.71073","MoKα","","0.0611","0.0443","","","0.1184","0.1299","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507062","15.0209","0.0002","17.1924","0.0002","17.7209","0.0003","68.0524","0.0007","86.0962","0.0007","89.2137","0.0007","4234.49","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H169.93 Cl4 N4 Pd4.04 S8 -","- C160 H169.926 Cl4 N4 Pd4.037 S8 -","- C160 H169.926 Cl4 N4 Pd4.037 S8 -","1","0.5","","Suijkerbuijk, Bart M. J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Pincer-porphyrin hybrids.","Organic letters","2004","6","18","3023","3026","10.1021/ol049034s","","","0.71073","MoKα","","0.0918","0.0506","","","0.117","0.1277","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507063","8.8599","0.0009","20.656","0.002","9.0612","0.0009","90","","114.216","0.002","90","","1512.4","0.3","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 F3 N O3 -","- C14 H22 F3 N O3 -","- C56 H88 F12 N4 O12 -","4","1","","Wolckenhauer, Scott A.; Rychnovsky, Scott D.","Generation and utility of tertiary alpha-aminoorganolithium reagents.","Organic letters","2004","6","16","2745","2748","10.1021/ol049039p","","","0.71073","MoKα","","0.0633","0.0422","","","0.0958","0.1098","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507064","10.733","0.001","6.3666","0.0005","24.617","0.002","90","","94.813","0.003","90","","1676.2","0.2","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 N O3 Si -","- C15 H23 N O3 Si -","- C60 H92 N4 O12 Si4 -","4","1","","Suga, Seiji; Kageyama, Yasuhisa; Babu, Govindarajulu; Itami, Kenichiro; Yoshida, Jun-ichi","Cationic carbohydroxylation of alkenes and alkynes using the cation pool method.","Organic letters","2004","6","16","2709","2711","10.1021/ol049049q","","","0.7107","MoKα","","","0.046","","","","0.016","","","","","","9.488","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507065","8.6888","0.0012","16.996","0.002","43.583","0.006","90","","90","","90","","6436.1","1.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72.1 H84.4 N6 O6.1 -","- C72.1 H78 N6 O6.1 -","- C288.4 H312 N24 O24.4 -","4","1","","Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.","Direct observation of enantioselective synergism at trimetallic centers.","Organic letters","2004","6","14","2453","2455","10.1021/ol049156k","","","0.71073","MoKα","","0.1372","0.0603","","","0.144","0.1575","","","","","","0.832","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507066","15.5481","0.0017","26.735","0.003","27.74","0.003","90","","90","","90","","11531","2","110","2","110","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C46.5 H69 Cl3 N6 O14.5 Zn3 -","- C46.5 H69 Cl3.005 N6 O14.5 Zn3 -","- C372 H552 Cl24.04 N48 O116 Zn24 -","8","1","","Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.","Direct observation of enantioselective synergism at trimetallic centers.","Organic letters","2004","6","14","2453","2455","10.1021/ol049156k","","","0.71073","MoKα","","0.1586","0.0857","","","0.1911","0.2239","","","","","","1.034","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507067","10.9757","0.0013","15.4466","0.0018","13.6421","0.0013","90","","99.547","0.002","90","","2280.8","0.4","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.","Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.","Organic letters","2004","6","16","2653","2656","10.1021/ol0491639","","","0.71073","MoKα","","0.2607","0.0659","","","0.1331","0.1837","","","","","","0.771","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507068","8.8406","0.001","9.5462","0.0011","16.604","0.002","88.872","0.002","74.665","0.002","65.16","0.002","1219.7","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O5 -","- C30 H28 O5 -","- C60 H56 O10 -","2","1","","Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.","Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.","Organic letters","2004","6","16","2653","2656","10.1021/ol0491639","","","0.71073","MoKα","","0.1964","0.0578","","","0.1096","0.1516","","","","","","0.807","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507069","11.246","0.0007","14.8004","0.0009","16.0461","0.001","109.146","0.0012","90.7286","0.0012","109.001","0.0011","2364.1","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H66.5 Na O5 -","- C49.5 H66.5 Na O5 -","- C99 H133 Na2 O10 -","2","1","","Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M.","Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system.","Organic letters","2004","6","16","2653","2656","10.1021/ol0491639","","","0.71073","MoKα","","0.1299","0.0938","","","0.2611","0.298","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507070","11.2747","0.0002","12.9814","0.0002","16.4661","0.0004","79.582","0.001","85.451","0.001","85.545","0.001","2357.87","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","resorcinarene","","","- C52 H72 O12 -","- C52 H72 O12 -","- C104 H144 O24 -","2","1","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.0632","0.0521","","","0.1349","0.1433","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507071","16.3988","0.0004","17.0717","0.0004","22.1524","0.0005","97.988","0.001","109.672","0.001","96.773","0.001","5692.1","0.2","173","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H88 O12 -","- C60 H83.5 O12 -","- C240 H334 O48 -","4","2","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.1935","0.0918","","","0.178","0.2202","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507072","18.0215","0.0002","24.0218","0.0003","36.5073","0.0004","90","","90","","90","","15804.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61.75 H66.5 Br4 Cl11.5 O16 -","- C61.75 H66.5 Br4 Cl11.5 O16 -","- C494 H532 Br32 Cl92 O128 -","8","2","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.1125","0.0785","","","0.2057","0.2279","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507073","17.9079","0.0004","16.969","0.0004","22.4574","0.0003","90","","103.24","0.001","90","","6642.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65.1 H72 Cl O25.1 -","- C65.11 H72 Cl O25.11 -","- C260.44 H288 Cl4 O100.44 -","4","0.5","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.0975","0.0633","","","0.1745","0.1975","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507074","20.959","0.002","9.5785","0.0009","10.3711","0.001","90","","90","","90","","2082.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H28 N4 O5 -","- C17 H28 N4 O5 -","- C68 H112 N16 O20 -","4","1","","Liu, Ke-Gang; Yan, Shi; Wu, Yu-Lin; Yao, Zhu-Jun","Synthesis of 4-azido-4-deoxy-Neu5,7,8,9Ac42en1Me. A key intermediate for the synthesis of GG167 from D-glucono-delta-lactone.","Organic letters","2004","6","13","2269","2272","10.1021/ol0491890","","","0.71073","MoKα","","0.15","0.0467","","","0.0616","0.0759","","","","","","0.693","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507075","8.2921","0.0017","11.639","0.002","12.066","0.002","64.65","0.03","88.22","0.03","74.29","0.03","1008.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N5 O6 -","- C19 H21 N5 O6 -","- C38 H42 N10 O12 -","2","1","","Mase, Nobuyuki; Thayumanavan, Rajeswari; Tanaka, Fujie; Barbas, 3rd, Carlos F","Direct asymmetric organocatalytic Michael reactions of alpha,alpha-disubstituted aldehydes with beta-nitrostyrenes for the synthesis of quaternary carbon-containing products.","Organic letters","2004","6","15","2527","2530","10.1021/ol049196o","","","0.71073","MoKα","","0.1614","0.074","","","0.1795","0.2328","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507076","28.606","0.011","5.033","0.002","13.201","0.005","90","","111.107","0.006","90","","1773.1","1.2","180","2","180","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","Double-bent [5]phenylene","","","- C30 H14 -","- C30 H14 -","- C120 H56 -","4","0.5","","Bong, Dennis T.-Y.; Chan, Eugene W. L.; Diercks, Rainer; Dosa, Peter I.; Haley, Michael M.; Matzger, Adam J.; Miljanić, Ognjen S; Vollhardt, K Peter C; Bond, Andrew D.; Teat, Simon J.; Stanger, Amnon","Syntheses of syn and anti doublebent [5]phenylene.","Organic letters","2004","6","13","2249","2252","10.1021/ol049225v","","","0.69","synchrotron","","0.0835","0.0567","","","0.1319","0.146","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507077","9.058","0.0018","9.751","0.002","10.809","0.002","76.41","0.03","86.49","0.03","80.15","0.03","914.1","0.3","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O5 S2 -","- C18 H17 N O5 S2 -","- C36 H34 N2 O10 S4 -","2","1","","He, Ling; Chan, Philip Wai Hong; Tsui, Wai-Man; Yu, Wing-Yiu; Che, Chi-Ming","Ruthenium(II) porphyrin-catalyzed amidation of aromatic heterocycles.","Organic letters","2004","6","14","2405","2408","10.1021/ol049232j","","","0.71073","MoKα","","0.0554","0.0477","","","0.145","0.1496","","","","","","1.082","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507078","11.785","0.002","6.113","0.0012","25.017","0.005","90","","101.95","0.03","90","","1763.2","0.6","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N3 O3 S -","- C18 H15 N3 O3 S0.957 -","- C72 H60 N12 O12 S3.828 -","4","1","","He, Ling; Chan, Philip Wai Hong; Tsui, Wai-Man; Yu, Wing-Yiu; Che, Chi-Ming","Ruthenium(II) porphyrin-catalyzed amidation of aromatic heterocycles.","Organic letters","2004","6","14","2405","2408","10.1021/ol049232j","","","0.71073","MoKα","","0.0681","0.0546","","","0.1574","0.1638","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507079","12.8996","0.0003","12.9357","0.0001","22.1831","0.0003","105.044","0.001","92.7318","0.0017","117.366","0.0013","3113.94","0.1","173","","173","","","","","","","","crystallized from diethyl ether/pentane","8","P 1","P 1","1","","(-)-(S)-[(eta4-1,5-cyclooctadiene)-{4-tert-butyl-2-(1-diphenyl- phosphinite-1-methyl-ethyl)-4,5-dihydro-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C124 H104 B2 F48 Ir2 N2 O4 P2 -","- C62 H52 B F24 Ir N O2 P -","- C124 H104 B2 F48 Ir2 N2 O4 P2 -","2","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0429","","","","0.0462","","","","","","1.0325","","","","has coordinates","189985","2020-10-21","18:00:00",""
"1507080","12.7425","0.0001","12.992","0.0001","23.0228","0.0002","87.9035","0.0005","74.6505","0.0005","61.9161","0.0005","3225.32","0.05","173","","173","","","","","","","","crystallized from dichloromethane/pentane","9","P 1","P 1","1","","(-)-(S)-[(eta4-1,5-cyclooctadiene)-{4-isopropyl-2-(1-diphenyl- phosphinite-1-methyl-ethyl)-4,5-dihydro-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C123 H101 B2 Cl3 F48 Ir2 N2 O4 P2 -","- C61.5 H50.5 B Cl1.5 F24 Ir N O2 P -","- C123 H101 B2 Cl3 F48 Ir2 N2 O4 P2 -","2","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0312","","","","0.0355","","","","","","1.0578","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507081","21.1948","0.0005","13.666","0.0002","22.8714","0.0004","90","","108.989","0.0017","90","","6264.2","0.2","193","","193","","","","","","","","crystallised from diethyl ether/pentane","8","P 1 21 1","P 2yb","4","","(-)-[(eta4-1,5-cyclooctadiene)-{(4S)-2-[(2-(diphenylphosphino)- phenyl]-4,5-dihydro-4-isopropyl-oxazole}iridium(I)]- tetrakis[3,5-bis(trifluoromethyl)phenyl]borate","","- C64 H48 B F24 Ir N O P -","- C64 H48 B F24 Ir N O P -","- C256 H192 B4 F96 Ir4 N4 O4 P4 -","4","2","","Smidt, Sebastian P.; Menges, Frederik; Pfaltz, Andreas","SimplePHOX, a readily available chiral ligand system for iridium-catalyzed asymmetric hydrogenation.","Organic letters","2004","6","12","2023","2026","10.1021/ol049235w","","","0.71073","MoKα","","","0.0594","","","","0.0678","","","","","","1.0441","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507082","9.718","0.003","25.585","0.008","11.268","0.004","90","","113.919","0.007","90","","2561","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H74 N2 O7 -","- C57 H74 N2 O7 -","- C114 H148 N4 O14 -","2","1","","Cheng, Xu; Hou, Guo-Hua; Xie, Jian-Hua; Zhou, Qi-Lin","Synthesis and optical resolution of 9,9'-spirobifluorene-1,1'-diol.","Organic letters","2004","6","14","2381","2383","10.1021/ol0492546","","","0.71073","MoKα","","0.2024","0.0687","","","0.0785","0.1083","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507083","10.9347","0.0014","5.099","0.003","13.547","0.002","90","","109.07","0.012","90","","713.9","0.4","293","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Sakurai, Rumiko; Suzuki, Shuji; Hashimoto, Junichi; Baba, Manabu; Itoh, Osamu; Uchida, Akira; Hattori, Tetsutaro; Miyano, Sotaro; Yamaura, Masanori","Epimerization of diastereomeric alpha-amino nitriles to single stereoisomers in the solid state.","Organic letters","2004","6","13","2241","2244","10.1021/ol049256q","","","1.54178","CuKα","","0.123","0.0496","","","0.0987","0.1292","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507084","5.7296","0.0012","11.8879","0.0019","5.0674","0.0008","100.472","0.013","92.263","0.016","83.228","0.015","336.98","0.1","293","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C17 H16 N2 O -","1","1","","Sakurai, Rumiko; Suzuki, Shuji; Hashimoto, Junichi; Baba, Manabu; Itoh, Osamu; Uchida, Akira; Hattori, Tetsutaro; Miyano, Sotaro; Yamaura, Masanori","Epimerization of diastereomeric alpha-amino nitriles to single stereoisomers in the solid state.","Organic letters","2004","6","13","2241","2244","10.1021/ol049256q","","","1.54178","CuKα","","0.0338","0.0312","","","0.0829","0.0887","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507085","9.0453","0.0007","9.5125","0.0008","35.549","0.003","90","","90","","90","","3058.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Br N2 O7 -","- C31.8 H31 Br N2 O7 -","- C127.2 H124 Br4 N8 O28 -","4","1","","Ma, Shengming; Jiao, Ning; Zheng, Zilong; Ma, Zhichao; Lu, Zhan; Ye, Longwu; Deng, Youqian; Chen, Guofei","Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives.","Organic letters","2004","6","13","2193","2196","10.1021/ol0493498","","","0.71073","MoKα","","0.1458","0.0629","","","0.1517","0.1777","","","","","","0.791","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507086","8.9635","0.0009","10.2834","0.0011","32.786","0.004","90","","90","","90","","3022.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Br N2 O7 -","- C32 H31 Br N2 O7 -","- C128 H124 Br4 N8 O28 -","4","1","","Ma, Shengming; Jiao, Ning; Zheng, Zilong; Ma, Zhichao; Lu, Zhan; Ye, Longwu; Deng, Youqian; Chen, Guofei","Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives.","Organic letters","2004","6","13","2193","2196","10.1021/ol0493498","","","0.71073","MoKα","","0.1077","0.0469","","","0.0813","0.0928","","","","","","0.797","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507087","9.9862","0.0014","15.134","0.003","17.31","0.004","102.56","0.03","94.34","0.02","107.62","0.02","2405.4","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H62 I2 O5 -","- C53 H62 I2 O5 -","- C106 H124 I4 O10 -","2","1","","Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.; Sage, Ian","Nanoscale aryleneethynylene molecular wires with reversible fluorenone electrochemistry for self-assembly onto metal surfaces.","Organic letters","2004","6","13","2181","2184","10.1021/ol0493608","","","0.71073","MoKα","","0.0848","0.0651","","","0.1958","0.2089","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507088","8.541","0.001","21.607","0.005","34.169","0.008","90","","95.17","0.02","90","","6280","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 N2 O5 S2 -","- C75 H78 N2 O5 S2 -","- C300 H312 N8 O20 S8 -","4","0.5","","Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.; Sage, Ian","Nanoscale aryleneethynylene molecular wires with reversible fluorenone electrochemistry for self-assembly onto metal surfaces.","Organic letters","2004","6","13","2181","2184","10.1021/ol0493608","","","0.71073","MoKα","","0.1212","0.0564","","","0.1321","0.1576","","","","","","0.933","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507089","5.8532","0.0004","14.5436","0.001","19.3274","0.0014","90","","90","","90","","1645.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methoxyphenyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-methanol","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Therkelsen, Frans D.; Rottländer, Mario; Thorup, Niels; Pedersen, Erik Bjerregaard","4-metalated condensed pyrimidines: their preparation and reaction with aldehydes under Barbier-type conditions.","Organic letters","2004","6","12","1991","1994","10.1021/ol049432v","","","0.71073","MoKα","","0.0387","0.0367","","","0.0973","0.0985","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507090","13.224","0.001","10.135","0.001","18.076","0.001","90","","108.44","0.01","90","","2298.3","0.3","93.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C112 H128 O16 -","8","2","","Nagao, Yoshimitsu; Tanaka, Satoru; Ueki, Akiharu; Kumazawa, Masunori; Goto, Satoru; Ooi, Takashi; Sano, Shigeki; Shiro, Motoo","New ring-expansion reactions of hydroxy propenoyl cyclic compounds under palladium(0)/phosphine-catalyzed conditions","Organic Letters","2004","6","13","2133","2136","10.1021/ol049450c","","","0.7107","MoKα","","","0.0607","","","","0.0606","","","","","","0.949","","","","has coordinates","275141","2022-05-06","20:13:42",""
"1507091","7.407","0.001","7.833","0.001","30.59","0.002","90","","90","","90","","1774.8","0.3","133.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Nagao, Yoshimitsu; Tanaka, Satoru; Ueki, Akiharu; Kumazawa, Masunori; Goto, Satoru; Ooi, Takashi; Sano, Shigeki; Shiro, Motoo","New ring-expansion reactions of hydroxy propenoyl cyclic compounds under palladium(0)/phosphine-catalyzed conditions","Organic Letters","2004","6","13","2133","2136","10.1021/ol049450c","","","0.7107","MoKα","","","0.0419","","","","0.1155","","","","","","1.337","","","","has coordinates","275141","2022-05-06","20:13:42",""
"1507092","12.2613","0.0005","12.4185","0.0005","23.9133","0.0011","90","","90","","90","","3641.2","0.3","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl N4 O2 Pd -","- C41 H45 Cl N4 O2 Pd -","- C164 H180 Cl4 N16 O8 Pd4 -","4","1","","Takenaka, Kazuhiro; Uozumi, Yasuhiro","Development of chiral pincer palladium complexes bearing a pyrroloimidazolone unit. Catalytic use for asymmetric Michael addition.","Organic letters","2004","6","11","1833","1835","10.1021/ol0494515","","","0.7107","MoKα","","","0.023","","","","0.06","","","","","","0.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507093","7.202","0.004","19.885","0.01","17.54","0.009","90","","93.671","0.01","90","","2507","2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glyco-amino-acid","","","- C49 H62 N2 O14 -","- C49 H62 N2 O14 -","- C98 H124 N4 O28 -","2","1","","Sridhar, Perali Ramu; Ashalu, K. Chinna; Chandrasekaran, S.","Efficient methodology for the synthesis of 2-C-branched glyco-amino acids by ring opening of 1,2-cyclopropanecarboxylated sugars.","Organic letters","2004","6","11","1777","1779","10.1021/ol049467v","","","0.71073","MoKα","","0.0873","0.0523","","","0.1089","0.1273","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507094","11.188","0.002","25.291","0.002","29.152","0.005","90","","90","","90","","8249","2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H124 N2 O36 -","- C70.988 H124 N2 O35.994 -","- C283.952 H496 N8 O143.976 -","4","1","","Mieusset, Jean-Luc; Krois, Daniel; Pacar, Mirjana; Brecker, Lothar; Giester, Gerald; Brinker, Udo H.","Supramolecular recognition and structural elucidation of inclusion complexes of an achiral carbene precursor in beta- and permethylated beta-cyclodextrin.","Organic letters","2004","6","12","1967","1970","10.1021/ol049478o","","","0.71073","MoKα","","0.0689","0.0517","","","0.1241","0.1366","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507095","10.646","0.004","18.82","0.01","40.113","0.015","90","","90","","90","","8037","6","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H53 N3 O4 S -","- C42 H53 N3 O4 S -","- C336 H424 N24 O32 S8 -","8","1","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1238","0.0873","","","0.1992","0.2206","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507096","25.021","0.004","9.4409","0.0016","17.902","0.003","90","","99.367","0.003","90","","4172.4","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 N4 O4 S2 -","- C44 H56 N4 O4 S2 -","- C176 H224 N16 O16 S8 -","4","0.5","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1279","0.0983","","","0.2502","0.2745","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507097","19.464","0.004","24.295","0.005","17.955","0.003","90","","94.981","0.004","90","","8458","3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H113 N7 O10 S3 -","- C87.5 H108.5 N7 O9 S3 -","- C350 H434 N28 O36 S12 -","4","1","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1539","0.0949","","","0.2497","0.2836","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507098","11.785","0.004","12.738","0.004","14.103","0.004","90","","110.099","0.004","90","","1988.2","1.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O3 -","- C22 H22 N4 O3 -","- C88 H88 N16 O12 -","4","1","","Quinn, Jordan R.; Zimmerman, Steven C.","With regard to the hydrogen bonding in complexes of pyridylureas, less is more. a role for shape complementarity and CH...O interactions?","Organic letters","2004","6","10","1649","1652","10.1021/ol0495016","","","0.71073","MoKα","","0.0779","0.0498","","","0.1254","0.1408","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1507099","10.895","0.003","10.97","0.003","12.255","0.003","93.396","0.005","96.415","0.004","113.477","0.004","1326.4","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N7 O3 -","- C29 H31 N7 O3 -","- C58 H62 N14 O6 -","2","1","","Quinn, Jordan R.; Zimmerman, Steven C.","With regard to the hydrogen bonding in complexes of pyridylureas, less is more. a role for shape complementarity and CH...O interactions?","Organic letters","2004","6","10","1649","1652","10.1021/ol0495016","","","0.71073","MoKα","","0.0874","0.0385","","","0.0806","0.0926","","","","","","0.882","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1507100","9.6537","0.0019","10.664","0.002","15.994","0.003","94.77","0.03","97.1","0.03","90.01","0.03","1628.2","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.2082","0.1287","","","0.3349","0.3785","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507101","12.081","0.002","8.9358","0.0018","11.019","0.002","90","","113.24","0.03","90","","1093","0.4","293","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.1316","0.0525","","","0.1076","0.1325","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507102","22.1999","0.0019","5.9517","0.0006","16.3776","0.0019","90","","93.251","0.005","90","","2160.4","0.4","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C96 H160 O16 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.0863","0.0641","","","0.1539","0.1683","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507103","10.8507","0.0002","14.8374","0.0003","14.967","0.0003","90","","91.428","0.001","90","","2408.88","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C96 H192 O16 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.0584","0.0459","","","0.1068","0.1135","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507104","7.6129","0.0005","18.6167","0.0015","21.6505","0.0016","90","","93.835","0.004","90","","3061.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C136 H152 N8 O40 -","8","2","","Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.","Samarium diiodide coupling of enones: a remarkable cascade sequence.","Organic letters","2004","6","12","1943","1945","10.1021/ol049563w","","","0.71073","MoKα","","0.2361","0.1343","","","0.3323","0.3783","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507105","9.561","0.0003","10.435","0.0003","21.045","0.0008","90","","95.727","0.0013","90","","2089.16","0.12","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 O4 Si2 -","- C48 H58 O4 Si2 -","- C96 H116 O8 Si4 -","2","0.5","","Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.","Robust, soluble pentacene ethers.","Organic letters","2004","6","10","1609","1612","10.1021/ol049593z","","","0.71073","MoKα","","0.0957","0.0544","","","0.1237","0.1402","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507106","9.555","0.0002","9.909","0.0003","11.76","0.0004","73.458","0.0012","83.933","0.0012","73.332","0.0012","1022.16","0.05","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 O4 Si2 -","- C48 H54 O4 Si2 -","- C48 H54 O4 Si2 -","1","0.5","","Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.","Robust, soluble pentacene ethers.","Organic letters","2004","6","10","1609","1612","10.1021/ol049593z","","","0.71073","MoKα","","0.0621","0.0422","","","0.1115","0.121","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507107","7.617","0.001","7.765","0.001","17.539","0.001","93.79","0.01","101.85","0.01","93.84","0.01","1009.6","0.2","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 O4 Si2 -","- C46 H54 O4 Si2 -","- C46 H54 O4 Si2 -","1","0.5","","Payne, Marcia M.; Delcamp, Jared H.; Parkin, Sean R.; Anthony, John E.","Robust, soluble pentacene ethers.","Organic letters","2004","6","10","1609","1612","10.1021/ol049593z","","","0.71073","MoKα","","0.126","0.0605","","","0.127","0.155","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507108","7.9233","0.0006","12.9262","0.0009","18.1699","0.0013","99.297","0.001","92.86","0.001","98.46","0.001","1811.3","0.2","130","0.2","130","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 B F20 Si -","- C38 H23 B F20 Si -","- C76 H46 B2 F40 Si2 -","2","1","","Hassall, Kathryn S.; White, Jonathan M.","Solution and X-ray structure of triethylsilylmethyl-substituted tropylium cation.","Organic letters","2004","6","11","1737","1739","10.1021/ol049613x","","","0.71073","MoKα","","0.0634","0.0443","","","0.0896","0.0963","","","","","","0.931","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507109","5.3875","0.0013","10.514","0.003","13.349","0.003","78.065","0.004","83.763","0.005","79.02","0.004","724.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Li, Gong-Yong; Che, Chi-Ming","Highly selective intra- and intermolecular coupling reactions of diazo compounds to form cis-alkenes using a ruthenium porphyrin catalyst.","Organic letters","2004","6","10","1621","1623","10.1021/ol049626a","","","0.71073","MoKα","","0.1612","0.0655","","","0.1465","0.1795","","","","","","0.802","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507110","10.6401","0.0015","15.19","0.002","11.1047","0.0015","90","","112.679","0.002","90","","1656","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 F2 N O5.5 -","- C15 H26 F2 N O5.5 -","- C60 H104 F8 N4 O22 -","4","2","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0324","0.0307","","","0.0684","0.0695","","","","","","1.002","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507111","6.9296","0.001","10.4369","0.0014","12.3706","0.0017","104.018","0.002","103.538","0.002","96.314","0.002","830.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H26 F2 N2 O5 -","- C15 H26 F2 N2 O5 -","- C30 H52 F4 N4 O10 -","2","1","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0499","0.0417","","","0.102","0.1066","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507112","8.9703","0.0007","11.8127","0.001","10.8941","0.0009","90","","111.22","0.001","90","","1076.11","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 F2 O4 -","- C10 H16 F2 O4 -","- C40 H64 F8 O16 -","4","1","","Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi","Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.","Organic letters","2004","6","8","1277","1280","10.1021/ol0496327","","","0.71073","MoKα","","0.0357","0.0327","","","0.0832","0.0853","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507113","11.2061","0.0002","11.3867","0.0002","18.0052","0.0003","72.655","0.001","79.218","0.001","84.164","0.001","2151.7","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 F2 N2 O2 -","- C15 H16 F2 N2 O2 -","- C90 H96 F12 N12 O12 -","6","3","","Fustero, Santos; Piera, Julio; Sanz-Cervera, Juan F; Catalán, Silvia; Ramírez de Arellano, Carmen","A versatile synthesis of fluorinated uracils in solution and on solid-phase.","Organic letters","2004","6","9","1417","1420","10.1021/ol049668z","","","0.71073","MoKα","","0.1062","0.063","","","0.1825","0.2055","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507114","5.9234","0.001","10.559","0.0018","11.2497","0.0019","67.095","0.003","85.57","0.003","79.756","0.003","637.78","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","tetrabromobutatriene","","","- C28 H16 Br4 N4 -","- C14 H8 Br2 N2 -","- C28 H16 Br4 N4 -","2","1","","Liu, Pei-Hua; Li, Lei; Webb, Jeffrey A.; Zhang, Yi; Goroff, Nancy S.","Tetrabromobutatriene: completing the perhalocumulene series.","Organic letters","2004","6","13","2081","2083","10.1021/ol049734x","","","0.71073","MoKα","","0.0634","0.0558","","","0.133","0.1378","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507115","8.6234","0.001","12.866","0.0015","13.3868","0.0016","71.469","0.002","74.489","0.002","71.885","0.002","1314.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 Br4 N2 O2 -","- C27 H20 Br4 N2 O2 -","- C54 H40 Br8 N4 O4 -","2","1","","Liu, Pei-Hua; Li, Lei; Webb, Jeffrey A.; Zhang, Yi; Goroff, Nancy S.","Tetrabromobutatriene: completing the perhalocumulene series.","Organic letters","2004","6","13","2081","2083","10.1021/ol049734x","","","0.71073","MoKα","","0.1098","0.0969","","","0.2294","0.2455","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507116","6.1556","0.0006","10.6385","0.0011","12.5323","0.0013","96.315","0.002","98.777","0.002","99.736","0.002","791.6","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N4 O -","- C44 H30 N4 O -","- C44 H30 N4 O -","1","0.5","","Hung, Chen-Hsiung; Wang, Shan-Ling; Ko, Jia-Ling; Peng, Chih-Hsiung; Hu, Ching-Han; Lee, Ming-Tsung","Demetalation of the regioselective oxygenation product of an N-confused porphyrin complex.","Organic letters","2004","6","9","1393","1396","10.1021/ol049757b","","","0.71073","MoKα","","0.0989","0.0676","","","0.1869","0.2015","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507117","6.6176","0.0017","24.138","0.006","22.081","0.006","90","","97.14","0.007","90","","3499.8","1.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47.5 H34 N4 O2 -","- C47.5 H34 N4 O2 -","- C190 H136 N16 O8 -","4","1","","Hung, Chen-Hsiung; Wang, Shan-Ling; Ko, Jia-Ling; Peng, Chih-Hsiung; Hu, Ching-Han; Lee, Ming-Tsung","Demetalation of the regioselective oxygenation product of an N-confused porphyrin complex.","Organic letters","2004","6","9","1393","1396","10.1021/ol049757b","","","0.71073","MoKα","","0.3068","0.0582","","","0.0695","0.0925","","","","","","0.517","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507118","22.939","0.003","7.421","0.0008","23.556","0.003","90","","116.912","0.002","90","","3575.7","0.8","130","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O5 -","- C19 H19 O6 -","- C152 H152 O48 -","8","1","","Hilli, Ferdows; White, Jonathan M.; Rizzacasa, Mark A.","Formal total synthesis of (-)-apicularen A via transannular conjugate addition.","Organic letters","2004","6","8","1289","1292","10.1021/ol0497943","","","","MoKα","","0.1759","0.1061","","","0.3016","0.346","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507119","14.8745","0.0004","6.4555","0.0002","15.485","0.0006","90","","104.52","0.0011","90","","1439.42","0.08","180","","180","","","","","","","","?","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O4 -","- C13 H26 O4 -","- C52 H104 O16 -","4","2","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A","Highly stereoselective intermolecular oxy-michael addition reaction to alpha,beta-unsaturated malonate esters.","Organic letters","2004","6","9","1357","1360","10.1021/ol049820x","","","0.71073","MoKα","","0.0725","0.0431","","0.0445","0.043","0.043","","","","","","1.1157","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507120","9.21","0.002","14.639","0.003","17.498","0.004","90","","90","","90","","2359.2","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Stierle, Donald B.; Stierle, Andrea A.; Hobbs, J. David; Stokken, Janalee; Clardy, Jon","Berkeleydione and berkeleytrione, new bioactive metabolites from an acid mine organism.","Organic letters","2004","6","6","1049","1052","10.1021/ol049852k","","","0.71073","MoKα","","0.0565","0.0449","","","0.1055","0.1121","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507121","7.0752","0.0006","11.9826","0.0012","9.9718","0.0008","90","","93.814","0.01","90","","843.53","0.13","173","","173","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0418","0.0378","","","0.1023","0.1053","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507122","8.732","0.0005","13.9621","0.0013","21.7439","0.0014","90","","90","","90","","2651","0.3","173","","173","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N5 O7 -","- C23 H35 N5 O7 -","- C92 H140 N20 O28 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0794","0.0743","","","0.1988","0.2022","","","","","","1.11","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507123","7.8615","0.0009","6.9727","0.0005","8.5838","0.0009","90","","91.877","0.013","90","","470.28","0.08","293","","173","1","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C18 H26 N2 O6 -","2","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0393","0.0347","","","0.0825","0.0846","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507124","11.3701","0.0012","12.0463","0.0013","14.099","0.0016","69.719","0.012","70.868","0.013","63.879","0.012","1590.8","0.4","173","","173","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C60 H78 N6 O24 -","6","3","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.1439","0.0663","","","0.1454","0.1734","","","","","","0.818","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507125","11.9505","0.0008","9.4792","0.0008","15.5098","0.001","90","","102.832","0.008","90","","1713.1","0.2","293","","173","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N2 O5 -","- C15 H24 N2 O5 -","- C60 H96 N8 O20 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0449","0.0367","","","0.097","0.101","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507126","10.5733","0.001","8.6107","0.0008","17.3519","0.0016","90","","107.435","0.002","90","","1507.2","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 Ho0 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","2","","Zanatta, Shannon D.; White, Jonathan M.; Rizzacasa, Mark A.","Total synthesis of the proposed structure for spirofungin B: a reassignment of the stereochemistry.","Organic letters","2004","6","6","1041","1044","10.1021/ol049873e","","","","MoKα","","0.0592","0.0478","","","0.104","0.1087","","","","","","0.947","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507127","8.7539","0.0013","14.491","0.002","13.0722","0.0019","90","","95.806","0.003","90","","1649.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","1","","Ng, Danny; Yang, Zhe; Garcia-Garibay, Miguel A","Total synthesis of (+/-)-herbertenolide by stereospecific formation of vicinal quaternary centers in a crystalline ketone.","Organic letters","2004","6","4","645","647","10.1021/ol0499250","","","0.71073","MoKα","","0.0481","0.0352","","","0.0907","0.0975","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507128","10.926","0.002","13.142","0.003","19.484","0.004","89.77","0.03","87.76","0.03","72.31","0.03","2663.3","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H61 Cl F3 N5 O9 S -","- C49 H61 Cl F3 N5 O9 S -","- C98 H122 Cl2 F6 N10 O18 S2 -","2","1","","Oliva, Ana I.; Simón, Luis; Muñiz, Francisco M; Sanz, Francisca; Morán, Joaquín R","Aminopyridine-benzoxanthene enantioselective receptor for sulfonylamino acids.","Organic letters","2004","6","7","1155","1157","10.1021/ol049933g","","","1.5418","CuKα","","0.2371","0.1399","","0.3148","0.2315","","","","1.24","1.281","1.281","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507129","14.771","0.0008","6.763","0.0004","18.517","0.002","90","","97.923","0.002","90","","1832.1","0.2","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C38 H32 Br3 N O7 -","- C38 H32 Br3 N O7 -","- C76 H64 Br6 N2 O14 -","2","1","","Fujita, Tomoya; Nagasawa, Hideko; Uto, Yoshihiro; Hashimoto, Toshihiro; Asakawa, Yoshinori; Hori, Hitoshi","Synthesis of the new mannosidase inhibitors, diversity-oriented 5-substituted swainsonine analogues, via stereoselective Mannich reaction.","Organic letters","2004","6","5","827","830","10.1021/ol049947m","","","0.71073","MoKα","","0.0896","0.058","","","0.1577","0.1826","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507130","11.595","0.001","16.922","0.002","19.919","0.003","90","","106.12","0.01","90","","3754.7","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 B2 Cu F8 N7 O2 -","- C39 H38 B2 Cu F8 N7 O2 -","- C156 H152 B8 Cu4 F32 N28 O8 -","4","1","","Fekner, Tomasz; Gallucci, Judith; Chan, Michael K.","Synthesis and metalation of a chiral, pyridine-strapped, cyclic bis(benzimidazole) ligand.","Organic letters","2004","6","6","989","992","10.1021/ol049954a","","","0.71073","MoKα","","0.0667","0.0515","","0.1367","0.1252","","","","1.026","1.045","1.045","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507131","9.2514","0.0001","7.3897","0.0001","17.753","0.0003","90","","100.55","0.0005","90","","1193.17","0.03","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N6 -","- C30 H26 N6 -","- C60 H52 N12 -","2","0.5","","Fekner, Tomasz; Gallucci, Judith; Chan, Michael K.","Synthesis and metalation of a chiral, pyridine-strapped, cyclic bis(benzimidazole) ligand.","Organic letters","2004","6","6","989","992","10.1021/ol049954a","","","0.71073","MoKα","","0.0613","0.046","","0.1297","0.1193","","","","1.031","1.076","1.076","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507132","10.337","0.004","10.796","0.004","26.783","0.01","90.044","0.008","98.388","0.009","111.731","0.007","2741.9","1.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H50 O2 -","- C84 H50 O2 -","- C168 H100 O4 -","2","1","","Harrington, Laura E.; Britten, James F.; McGlinchey, Michael J.","Dimerization of 9-phenylethynylfluorene to di-indeno-naphthacene and dispiro-[fluorene-dihydronaphthacene-fluorene]: an X-ray crystallographic and NMR study.","Organic letters","2004","6","5","787","790","10.1021/ol049967o","","","0.71073","MoKα","","0.2649","0.0794","","","0.091","0.1336","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508976","13.9491","","13.9491","","13.9491","","90","","90","","90","","2714.18","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Silver europium tetrathiogermanate (0.5/1.75/1)","","- Ag0.5 Eu1.75 Ge S4 -","- Ag0.5025 Eu1.755 Ge S4 -","- Ag8.04 Eu28.08 Ge16 S64 -","16","0.333333","","Kanatzidis, M.G.; Iyer, R.G.; Aitken, J.A.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A = Ag, Cu, Na; M = Pb, Eu; Q = S, Se)","Solid State Sciences","2004","6","","451","459","10.1016/j.solidstatesciences.2004.03.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508980","14.0291","","14.0291","","14.0291","","90","","90","","90","","2761.15","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Silver lead tetrathiogermanate (0.5/1.75/1)","","- Ag0.5 Ge Pb1.75 S4 -","- Ag0.5025 Ge Pb1.755 S4 -","- Ag8.04 Ge16 Pb28.08 S64 -","16","0.333333","","Iyer, R.G.; Aitken, J.A.; Kanatzidis, M.G.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A = Ag, Cu, Na; M = Pb, Eu; Q = S, Se)","Solid State Sciences","2004","6","","451","459","10.1016/j.solidstatesciences.2004.03.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508981","14.5949","","14.5949","","14.5949","","90","","90","","90","","3108.88","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Silver lead tetraselenogermanate (0.5/1.75/1)","","- Ag0.5 Ge Pb1.75 Se4 -","- Ag0.5025 Ge Pb1.755 Se4 -","- Ag8.04 Ge16 Pb28.08 Se64 -","16","0.333333","","Kanatzidis, M.G.; Iyer, R.G.; Aitken, J.A.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A = Ag, Cu, Na; M = Pb, Eu; Q = S, Se)","Solid State Sciences","2004","6","","451","459","10.1016/j.solidstatesciences.2004.03.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509031","6.36709","","6.36709","","12.60214","","90","","90","","90","","510.889","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Copper(I) silver indium telluride (0.3/0.74/1.01/1.96)","","- Ag0.736 Cu0.297 In1.011 Te1.956 -","- Ag0.736 Cu0.297 In1.011 Te1.956 -","- Ag2.944 Cu1.188 In4.044 Te7.824 -","4","0.25","","Sakr, G.B.; El-Sayad, E.A.; Moustafa, A.M.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","10.1002/crat.200310181","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509039","4.5899","","7.2479","","7.889","","90","","90","","90","","262.444","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Gadolinium silver aluminium (1/0.8/1.2)","","- Ag0.8 Al1.2 Gd -","- Ag0.8 Al1.2 Gd -","- Ag3.2 Al4.8 Gd4 -","4","0.25","","Kuz'ma, Yu.B.; Bilas, N.R.; Stel'makhovich, B.M.; Zhak, O.V.","The Gd - Ag - Al system","Journal of Alloys Compd.","2004","363","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509072","6.344","","6.344","","6.344","","90","","90","","90","","255.323","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Lithium aluminium silver (0.22/1.04/1.75)","","- Ag0.22 Al1.04 Li1.75 -","- Ag0.218 Al1.04 Li1.743 -","- Ag0.872 Al4.16 Li6.972 -","4","0.0416667","","Belin, C.; Lacroix-Orio, L.; Tillard, M.","Exploration of the lithium aluminum silver system. Crystal and electronic structure analysis of new phases Li6.98 Al4.15 Ag0.87 and Li Al Ag2","Solid State Sciences","2004","6","","1429","1437","10.1016/j.solidstatesciences.2004.07.011","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509083","6.24068","","6.24068","","12.50461","","90","","90","","90","","487.006","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Copper(I) silver indium telluride (0.77/0.26/1.01/1.97)","","- Ag0.257 Cu0.766 In1.008 Te1.969 -","- Ag0.257 Cu0.766 In1.008 Te1.969 -","- Ag1.028 Cu3.064 In4.032 Te7.876 -","4","0.25","","Sakr, G.B.; Moustafa, A.M.; El-Sayad, E.A.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","10.1002/crat.200310181","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509123","6.30663","","6.30663","","12.56589","","90","","90","","90","","499.79","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Copper(I) silver indium telluride (0.52/0.5/1.02/1.97)","","- Ag0.496 Cu0.515 In1.023 Te1.966 -","- Ag0.496 Cu0.515 In1.023 Te1.966 -","- Ag1.984 Cu2.06 In4.092 Te7.864 -","4","0.25","","El-Sayad, E.A.; Sakr, G.B.; Moustafa, A.M.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","10.1002/crat.200310181","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509125","4.1224","","4.1224","","6.7363","","90","","90","","120","","99.141","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Silver cadmium gallium sulfide selenide (0.5/1/0.5/1/1) - beta","","- Ag0.5 Cd Ga0.5 S Se -","- Ag0.5 Cd Ga0.5 S Se -","- Ag0.5 Cd Ga0.5 S Se -","1","0.0833333","","Husak, O.A.; Parasyuk, O.V.; Gulay, L.D.; Olekseyuk, I.D.","The Ag Ga S2 + 2(Cd Se) <=> Ag Ga Se2 + 2(Cd S) system","Journal of Alloys Compd.","2004","367","","25","35","10.1016/j.jallcom.2003.08.006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509148","12.573","","4","","8.041","","90","","110.98","","90","","377.589","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ag Bi2 S2 Cl3","","- Ag Bi2 Cl3 S2 -","- Ag Bi2 Cl3 S2 -","- Ag2 Bi4 Cl6 S4 -","2","0.25","","Ruck, M.; Poudeu Poudeu, P.F.; Soehnel, T.","Homologous silver bismuth chalcogenide halides (N,x)P.I. syntheses and crystal structures of the (0,1)P compound Ag Bi2 S2 Cl3 and of three members of the (1,x)P solid solution series Ag(x) Bi(4-2x) S(6-4x) Br(4x)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1276","1285","10.1002/zaac.200400131","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509149","13.313","","4.08","","9.72","","90","","90.8","","90","","527.91","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ag Bi3 S4 Br2","","- Ag Bi3 Br2 S4 -","- Ag Bi3 Br2 S4 -","- Ag2 Bi6 Br4 S8 -","2","0.25","","Soehnel, T.; Ruck, M.; Poudeu Poudeu, P.F.","Homologous silver bismuth chalcogenide halides (N,x)P.I. syntheses and crystal structures of the (0,1)P compound Ag Bi2 S2 Cl3 and of three members of the (1,x)P solid solution series Ag(x) Bi(4-2x) S(6-4x) Br(4x)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1276","1285","10.1002/zaac.200400131","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509179","8.275","","7.0815","","6.7214","","90","","90","","90","","393.87","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Cd2 (Ag0.5 Ga0.5)2 S2 Se2","","- Ag Cd2 Ga S2 Se2 -","- Ag Cd2 Ga S2 Se2 -","- Ag2 Cd4 Ga2 S4 Se4 -","2","0.5","","Husak, O.A.; Parasyuk, O.V.; Olekseyuk, I.D.; Gulay, L.D.","The Ag Ga S2 + 2(Cd Se) <=> Ag Ga Se2 + 2(Cd S) system","Journal of Alloys Compd.","2004","367","","25","35","10.1016/j.jallcom.2003.08.006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509199","19.488","","6.6","","12.661","","90","","90","","90","","1628.47","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ag (As O3)","","- Ag As O3 -","- Ag As O3 -","- Ag24 As24 O72 -","24","6","","Jansen, M.; Curda, J.; Peters, E.M.","Ein Metaarsenat(V) Anion neuartiger Konstitution in Ag As O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","491","494","10.1002/zaac.200300388","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509201","5.7586","","5.7852","","21.066","","90","","90","","90","","701.806","","","","","","","","","","","","","3","P m c a","-P 2ac 2a","57","","Ce (Ag As2)","","- Ag As2 Ce -","- Ag As2 Ce -","- Ag8 As16 Ce8 -","8","1","","Aksel'rud, L.G.; Prots', Yu.M.; Jemetio, J.P.F.; Demchyna, R.; Doert, T.; Grin', Yu.; Schnelle, W.; Kuz'ma, Yu.B.","Ce Ag As2 - a new derivative of the Hf Cu Si2 type of structure: synthesis, crystal structure and magnetic properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","635","641","10.1002/zaac.200300399","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509215","5.4306","","6.9802","","5.3751","","90","","90","","90","","203.752","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ag (Al O2)","","- Ag Al O2 -","- Ag Al O2 -","- Ag4 Al4 O8 -","4","1","","Li, J.; Sleight, A.W.","Structure of beta - Ag Al O2 and structural systematics of tetrahedral M M' X2 compounds","Journal of Solid State Chemistry","2004","177","","889","894","10.1016/j.jssc.2003.09.036","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509234","3.971","","13.712","","8.824","","90","","90","","90","","480.47","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ag Bi S Cl2","","- Ag Bi Cl2 S -","- Ag Bi Cl2 S -","- Ag4 Bi4 Cl8 S4 -","4","0.25","","Soehnel, T.; Poudeu Poudeu, P.F.; Ruck, M.","Synthese, Kristallstruktur und elektronische Bandstruktur der isotypen Sulfidchloride Cu Bi S Cl2 und Ag Bi S Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","63","67","10.1002/zaac.200300248","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509374","7.0747","","7.7318","","8.4753","","90","","90","","90","","463.6","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ag Hg I S -","- Ag Hg I S -","- Ag4 Hg4 I4 S4 -","4","1","","Keller, H.L.; Beck, J.; Ewald, B.; Wimbert, L.; Rompel, M.","Ueber Muenzmetall-Quecksilber-Chalkogenidhalogenide. V. Solvothermalsynthese und Kristallstruktur der Hochdruckmodifikation von Ag Hg S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1031","1035","10.1002/zaac.200400083","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509414","6.44296","","6.44296","","12.63572","","90","","90","","90","","524.531","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In1.03 Te1.972 -","- Ag0.998 In1.03 Te1.972 -","- Ag3.992 In4.12 Te7.888 -","4","0.25","","Moustafa, A.M.; El-Sayad, E.A.; Sakr, G.B.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","10.1002/crat.200310181","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509440","19.593","","3.9963","","18.2973","","90","","90","","90","","1432.67","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La5 Ti2 Ag S5 O7","","- Ag La5 O7 S5 Ti2 -","- Ag La5 O7 S5 Ti2 -","- Ag4 La20 O28 S20 Ti8 -","4","0.5","","Lafond, A.; Moelo, Y.; Cario, L.; Guillot-Deudon, C.; Meerschaut, A.; Meignen, V.","Crystal structures of two new oxysulfides La5 Ti2 M S5 O7 (M = Cu, Ag): evidence of anionic segregation","Journal of Solid State Chemistry","2004","177","","2810","2817","10.1016/j.jssc.2004.04.023","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509585","13.289","","4.085","","9.734","","90","","90.9","","90","","528.351","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag1.27 Bi2.73 Br2.54 S3.46 -","- Ag1.28 Bi2.726 Br2.548 S3.452 -","- Ag2.56 Bi5.452 Br5.096 S6.904 -","2","0.25","","Soehnel, T.; Ruck, M.; Poudeu Poudeu, P.F.","Homologous silver bismuth chalcogenide halides (N,x)P.I. syntheses and crystal structures of the (0,1)P compound Ag Bi2 S2 Cl3 and of three members of the (1,x)P solid solution series Ag(x) Bi(4-2x) S(6-4x) Br(4x)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1276","1285","10.1002/zaac.200400131","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509595","13.324","","4.093","","9.743","","90","","90.4","","90","","531.323","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag1.46 Bi2.54 Br2.91 S3.09 -","- Ag1.45 Bi2.545 Br2.91 S3.09 -","- Ag2.9 Bi5.09 Br5.82 S6.18 -","2","0.25","","Ruck, M.; Soehnel, T.; Poudeu Poudeu, P.F.","Homologous silver bismuth chalcogenide halides (N,x)P.I. syntheses and crystal structures of the (0,1)P compound Ag Bi2 S2 Cl3 and of three members of the (1,x)P solid solution series Ag(x) Bi(4-2x) S(6-4x) Br(4x)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1276","1285","10.1002/zaac.200400131","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509657","7.7413","","19.024","","5.6935","","90","","90","","90","","838.485","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Ag2 K (Nb Se4)","","- Ag2 K Nb Se4 -","- Ag2 K Nb Se4 -","- Ag8 K4 Nb4 Se16 -","4","0.5","","Guo Guocong; Huang Jinshun; Zhou Guowei; Deng Lei; Dong Zhenchao; Ma Hongwei; Chen Wentong","Syntheses and crystal structures of new quaternary Ag-containing group 5 chalcogenides: K Ag2 M(V) Se4 and K3 Ag3 M(V)2 S8 (M(V) = Nb, Ta)","Bulletin of the Chemical Society of Japan","2004","77","","505","509","10.1246/bcsj.77.505","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509660","7.8103","","19.004","","5.7303","","90","","90","","90","","850.531","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Ag2 K (Ta Se4)","","- Ag2 K Se4 Ta -","- Ag2 K Se4 Ta -","- Ag8 K4 Se16 Ta4 -","4","0.5","","Ma Hongwei; Chen Wentong; Dong Zhenchao; Huang Jinshun; Deng Lei; Guo Guocong; Zhou Guowei","Syntheses and crystal structures of new quaternary Ag-containing group 5 chalcogenides: K Ag2 M(V) Se4 and K3 Ag3 M(V)2 S8 (M(V) = Nb, Ta)","Bulletin of the Chemical Society of Japan","2004","77","","505","509","10.1246/bcsj.77.505","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509673","7.093","","8.878","","10.415","","106.86","","105.84","","103.77","","566.859","","","","","","","","","","","","","4","P -1","-P 1","2","","Ag2 Mn2 (Mo O4)3","","- Ag2 Mn2 Mo3 O9 -","- Ag2 Mn2 Mo3 O9 -","- Ag4 Mn4 Mo6 O18 -","2","1","","Solodovnikov, S.F.; Khaikina, E.G.; Khobrakova, E.T.; Tsyrenova, G.D.; Bazarova, Zh.G.; Solodovnikova, Z.A.","Phase formation in the systems Ag2 Mo O4 - M O - Mo O3 (M= Ca, Sr,Ba, Pb, Cd, Ni, Co, Mn) and crystal structures of Ag2 M2 (Mo O4)3 (M= Co, Mn)","Journal of Solid State Chemistry","2004","177","","2158","2167","10.1016/j.jssc.2004.01.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509729","6.364","","10.975","","13.999","","90","","108.29","","90","","928.363","","","","","","","","","","","","","4","C 1 2/n 1","-C 2yac","15","","Ag2 Mg (P2 S6)","","- Ag2.02 Mg0.5 P2 S6 -","- Ag2.02 Mg0.5 P2 S6 -","- Ag8.08 Mg2 P8 S24 -","4","0.5","","Joergens, S.; Mewis, A.","Die Kristallstrukturen von Hexachalcogeno-Hypodiphosphaten des Magnesiums und Zinks","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","51","57","10.1002/zaac.200300244","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509739","4.3306","","12.6706","","10.0145","","90","","90","","90","","549.509","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Gd3 Ag2.55 Al8.45","","- Ag2.55 Al8.45 Gd3 -","- Ag2.548 Al8.452 Gd3 -","- Ag5.096 Al16.904 Gd6 -","2","0.125","","Kuz'ma, Yu.B.; Zhak, O.V.; Bilas, N.R.; Stel'makhovich, B.M.","The Gd - Ag - Al system","Journal of Alloys Compd.","2004","363","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509750","9.2305","","9.2305","","9.4111","","90","","90","","120","","694.419","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Gd Ag2.91 Al2.26","","- Ag2.91 Al2.26 Gd -","- Ag2.914 Al2.25933 Gd -","- Ag17.484 Al13.556 Gd6 -","6","0.25","","Stel'makhovich, B.M.; Kuz'ma, Yu.B.; Zhak, O.V.; Bilas, N.R.","The Gd - Ag - Al system","Journal of Alloys Compd.","2004","363","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509755","8.8177","","8.8177","","16.8624","","90","","90","","90","","1311.08","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Gd8 Ag20 Al46","","- Ag20 Al46 Gd8 -","- Ag20.048 Al45.952 Gd8 -","- Ag20.048 Al45.952 Gd8 -","1","0.03125","","Bilas, N.R.; Stel'makhovich, B.M.; Zhak, O.V.; Kuz'ma, Yu.B.","The Gd - Ag - Al system","Journal of Alloys Compd.","2004","363","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509774","5.5668","","5.5668","","26.382","","90","","90","","120","","708.027","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Gd3 Ag2 Al7","","- Ag2 Al7 Gd3 -","- Ag2 Al7 Gd3 -","- Ag6 Al21 Gd9 -","3","0.0833333","","Stel'makhovich, B.M.; Bilas, N.R.; Zhak, O.V.; Kuz'ma, Yu.B.","The Gd - Ag - Al system","Journal of Alloys Compd.","2004","363","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509780","6.989","","8.738","","10.295","","107.67","","105.28","","103.87","","541.789","","","","","","","","","","","","","4","P -1","-P 1","2","","Ag2 Co2 (Mo O4)3","","- Ag2 Co2 Mo3 O12 -","- Ag2 Co2 Mo3 O12 -","- Ag4 Co4 Mo6 O24 -","2","1","","Solodovnikova, Z.A.; Khobrakova, E.T.; Solodovnikov, S.F.; Khaikina, E.G.; Bazarova, Zh.G.; Tsyrenova, G.D.","Phase formation in the systems Ag2 Mo O4 - M O - Mo O3 (M= Ca, Sr, Ba, Pb, Cd, Ni, Co, Mn) and crystal structures of Ag2 M2 (Mo O4)3 (M= Co, Mn)","Journal of Solid State Chemistry","2004","177","","2158","2167","10.1016/j.jssc.2004.01.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509966","24.09","","6.34","","24.581","","90","","110.87","","90","","3507.96","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ag7 (P3 S11)","","- Ag7 P3 S11 -","- Ag7 P3 S11 -","- Ag56 P24 S88 -","8","1","","Brinkmann, C.; Schmedt auf der Guenne, J.; Wilmer, D.; Pfitzner, A.; Vogel, M.; Rau, F.; Hoffbauer, W.; Eckert, H.","Re-entrant phase transition of the crystalline ion conductor Ag7 P3 S11","Solid State Sciences","2004","6","","1077","1088","10.1016/j.solidstatesciences.2004.04.020","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509977","6.3155","","6.3155","","6.3155","","90","","90","","90","","251.897","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Li4 Al4 Ag8","","- Ag8 Al4 Li4 -","- Ag8 Al4 Li4 -","- Ag8 Al4 Li4 -","1","0.0104167","","Tillard, M.; Lacroix-Orio, L.; Belin, C.","Exploration of the lithium aluminum silver system. Crystal and electronic structure analysis of new phases Li6.98 Al4.15 Ag0.87 and Li Al Ag2","Solid State Sciences","2004","6","","1429","1437","10.1016/j.solidstatesciences.2004.07.011","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509997","9.3026","","9.3026","","9.0991","","90","","90","","120","","681.927","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Gd1.85 Ag9.26 Al7.74","","- Ag9.26 Al7.74 Gd1.85 -","- Ag9.26 Al7.74 Gd1.85 -","- Ag18.52 Al15.48 Gd3.7 -","2","0.0833333","","Zhak, O.V.; Bilas, N.R.; Kuz'ma, Yu.B.; Stel'makhovich, B.M.","The Gd - Ag - Al system","Journal of Alloys Compd.","2004","363","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510015","23.638","","5.544","","14.29","","90","","121.14","","90","","1602.85","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag3 K3 (Nb S4)2","","- Ag3 K3 Nb2 S8 -","- Ag3 K3 Nb2 S8 -","- Ag12 K12 Nb8 S32 -","4","0.5","","Guo Guocong; Zhou Guowei; Dong Zhenchao; Deng Lei; Chen Wentong; Ma Hongwei; Huang Jinshun","Syntheses and crystal structures of new quaternary Ag-containing group 5 chalcogenides: K Ag2 M(V) Se4 and K3 Ag3 M(V)2 S8 (M(V) = Nb, Ta)","Bulletin of the Chemical Society of Japan","2004","77","","505","509","10.1246/bcsj.77.505","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510016","23.598","","5.5889","","14.307","","90","","120.631","","90","","1623.62","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag3 K3 (Ta S4)2","","- Ag3 K3 S8 Ta2 -","- Ag3 K3 S8 Ta2 -","- Ag12 K12 S32 Ta8 -","4","0.5","","Guo Guocong; Zhou Guowei; Ma Hongwei; Dong Zhenchao; Deng Lei; Chen Wentong; Huang Jinshun","Syntheses and crystal structures of new quaternary Ag-containing group 5 chalcogenides: K Ag2 M(V) Se4 and K3 Ag3 M(V)2 S8 (M(V) = Nb, Ta)","Bulletin of the Chemical Society of Japan","2004","77","","505","509","10.1246/bcsj.77.505","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510108","7.179","","12.993","","6.122","","90","","90","","90","","571.04","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Cs3 (Au Ge4)","","- Au Cs3 Ge4 -","- Au Cs3 Ge4 -","- Au2 Cs6 Ge8 -","2","0.25","","Wlodarski, J.; Zachwieja, U.","Zintl-Verbindungen mit Gold und Germanium: M3 Au Ge3 mit M = K, Rb, und Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","993","997","10.1002/zaac.200400042","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510159","7.563","","7.563","","4.1271","","90","","90","","120","","204.439","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Gd Au Mg","","- Au Gd Mg -","- Au Gd Mg -","- Au3 Gd3 Mg3 -","3","0.25","","Poettgen, R.; Kmiec, R.; Fickenscher, T.; Hoffmann, R.D.; Latka, K.; Pacyna, A.W.","Magnetism and 155Gd Moessbauer spectroscopy of Gd Au Mg","Solid State Sciences","2004","6","","301","309","10.1016/j.solidstatesciences.2004.01.006","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510174","6.655","","11.911","","6.081","","90","","90","","90","","482.027","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","K3 (Au Ge4)","","- Au Ge4 K3 -","- Au Ge4 K3 -","- Au2 Ge8 K6 -","2","0.25","","Zachwieja, U.; Wlodarski, J.","Zintl-Verbindungen mit Gold und Germanium: M3 Au Ge3 mit M = K, Rb, und Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","993","997","10.1002/zaac.200400042","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510175","6.894","","12.421","","6.107","","90","","90","","90","","522.945","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Rb3 (Au Ge4)","","- Au Ge4 Rb3 -","- Au Ge4 Rb3 -","- Au2 Ge8 Rb6 -","2","0.25","","Wlodarski, J.; Zachwieja, U.","Zintl-Verbindungen mit Gold und Germanium: M3 Au Ge3 mit M = K, Rb, und Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","993","997","10.1002/zaac.200400042","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510266","10.787","","5.2267","","7.393","","90","","116.45","","90","","373.189","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Rb Au (Se O4)2","","- Au O8 Rb Se2 -","- Au O8 Rb Se2 -","- Au2 O16 Rb2 Se4 -","2","0.25","","Buechner, O.; Wickleder, M.S.","Rb Au (Se O4)2: First structure determination of a ternary gold selenate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1539","1540","10.1002/zaac.200400141","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510325","4.835","","4.835","","3.416","","90","","90","","90","","79.857","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","Zr Au","","- Au Zr -","- Au1.005 Zr0.995 -","- Au2.01 Zr1.99 -","2","0.125","","Galez, P.; Lomello-Tafin, M.; Ait Chaou, A.; Soubeyroux, J.L.; Isa, M.; Valmalette, J.C.; Jourdan, J.; Moreau, J.M.","Neutron powder diffraction study of the crystal structures of Zr Au","Journal of Alloys Compd.","2004","373","","16","27","10.1016/j.jallcom.2003.10.056","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510326","11.537","","4.841","","11.507","","87.42","","104.82","","92.41","","620.354","","","","","","","","","","","","","2","P -1","-P 1","2","","Zr Au","","- Au Zr -","- Au Zr -","- Au16 Zr16 -","16","8","","Moreau, J.M.; Jourdan, J.; Isa, M.; Ait Chaou, A.; Valmalette, J.C.; Lomello-Tafin, M.; Galez, P.; Soubeyroux, J.L.","Neutron powder diffraction study of the crystal structures of Zr Au","Journal of Alloys Compd.","2004","373","","16","27","10.1016/j.jallcom.2003.10.056","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510327","11.695","","4.828","","11.719","","90","","107.09","","90","","632.478","","","","","","","","","","","","","2","P 1 2/m 1","-P 2y","10","","Zr Au","","- Au Zr -","- Au Zr -","- Au16 Zr16 -","16","4","","Valmalette, J.C.; Moreau, J.M.; Ait Chaou, A.; Soubeyroux, J.L.; Galez, P.; Lomello-Tafin, M.; Isa, M.; Jourdan, J.","Neutron powder diffraction study of the crystal structures of Zr Au","Journal of Alloys Compd.","2004","373","","16","27","10.1016/j.jallcom.2003.10.056","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510455","12.661","","12.661","","12.661","","90","","90","","90","","2029.57","","","","","","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","","La3 I3.185 Au0.815","","- Au0.815 I3.185 La3 -","- Au0.815 I3.185 La3 -","- Au6.52 I25.48 La24 -","8","0.166667","","Zheng, C.; Simon, A.; Kienle, L.; Mattausch, H.J.","The first reduced rare earth halide with a group 11 element as interstitial: La3 I3 Au","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2367","2372","10.1002/zaac.200400322","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510669","16.626","","9.525","","10.686","","90","","117.76","","90","","1497.49","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Er Ni7.9 B2","","- B2 Er Ni7.9 -","- B2 Er Ni7.888 -","- B24 Er12 Ni94.656 -","12","1.5","","Chaban, N.F.; Kuz'ma, Yu.B.; Veremchuk, I.V.; Babizhet'sky, V.S.","Synthesis and structure of Er Ni7.9 B2","Neorganicheskie Materialy","2004","40","","697","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510678","6.4331","","14.0994","","6.0731","","90","","110.558","","90","","515.768","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Eu (B2 S4)","","- B2 Eu S4 -","- B2 Eu S4 -","- B8 Eu4 S16 -","4","1","","Doech, M.; Krebs, B.; Hammerschmidt, A.","The first rare earth metal thioborate: synthesis and crystal structure of Eu B2 S4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","519","522","10.1002/zaac.200300400","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510715","8.7377","","8.7377","","3.9417","","90","","90","","120","","260.62","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Ba3 Ti3 O6 (B O3)2","","- B2 Ba3 O12 Ti3 -","- B2 Ba3 O12 Ti3 -","- B2 Ba3 O12 Ti3 -","1","0.0833333","","Bakhtiiarov, A.; Park Hyun-Soo; Barbier, J.; Zhang Wei; Vargas-Baca, I.","Non-centrosymmetric Ba3 Ti3 O6 (B O3)2","Journal of Solid State Chemistry","2004","177","","159","164","10.1016/S0022-4596(03)00389-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510727","5.432","","9.398","","3.099","","90","","90.38","","90","","158.2","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Y Ir3 B2","","- B2 Ir3 Y -","- B2 Ir3 Y -","- B4 Ir6 Y2 -","2","0.25","","Rizzoli, C.; Sologub, O.L.; Almeida, M.; Goncalves, A.P.; Ipser, H.; Salamakha, P.","Structural investigation of the ternary R M3 B2 compounds","Journal of Alloys Compd.","2004","373","","202","207","10.1016/j.jallcom.2003.10.042","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510770","10.5993","","6.2311","","10.2247","","90","","117.756","","90","","597.593","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na2 Y2 (B2 O7)","","- B2 Na2 O7 Y2 -","- B2 Na2 O7 Y2 -","- B8 Na8 O28 Y8 -","4","1","","Zhang Yue; Li Yadong","Red photoluminescence properties and crystal structure of sodium rare earth oxyborate","Journal of Alloys Compd.","2004","370","","99","103","10.1016/j.jallcom.2003.09.035","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510830","9.24036","","8.09482","","3.48162","","90","","90","","90","","260.422","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Li4 Ca (B O3)2","","- B2 Ca Li4 O6 -","- B2 Ca Li4 O6 -","- B4 Ca2 Li8 O12 -","2","0.25","","Cao, Y.G.; Li, X.Z.; Wang, C.; Xu, Y.P.; Wu, L.; Chen, X.L.","Ab initio structure determination of new compound Li4 Ca B2 O6","Journal of Solid State Chemistry","2004","177","","1847","1851","10.1016/j.jssc.2003.11.023","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510877","13.0441","","13.0441","","9.5291","","90","","90","","120","","1404.14","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba3 (Y (B O3)3)","","- B3 Ba3 O9 Y -","- B3 Ba2.9999 O9 Y1.0001 -","- B18 Ba17.9994 O54 Y6.0006 -","6","0.333333","","Xu, Y.P.; Li, X.Z.; Wu, L.; Jian, J.K.; Chen, X.L.; Cao, Y.G.","Thermal stability and crystal structure of beta-(Ba3 Y B3 O9)","Journal of Solid State Chemistry","2004","177","","216","220","10.1016/S0022-4596(03)00415-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510892","18.457","","4.4675","","4.2951","","90","","90","","90","","354.16","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Ce (B O2)3","","- B3 Ce O6 -","- B3 Ce O6 -","- B12 Ce4 O24 -","4","1","","Huppertz, H.; Despotopoulou, C.; Emme, H.","High-pressure synthesis and crystal structure of structurally new orthorhombic rare-earth meta-oxoborates gamma-RE (B O2)3 (RE= La - Nd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2450","2457","10.1002/zaac.200400202","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510907","7.6577","","7.6577","","15.5798","","90","","90","","90","","913.605","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Er Ni7 B3","","- B3 Er Ni7 -","- B3 Er Ni7 -","- B24 Er8 Ni56 -","8","0.25","","Kuz'ma, Yu.B.; Veremchuk, I.V.; Chaban, N.; Babizhet'sky, V.S.","New borides Er0.917 Ni4.09 B and Er Ni7 B3 and their crystal structures","Journal of Solid State Chemistry","2004","177","","425","430","10.1016/j.jssc.2003.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510920","9.319","","6.648","","21.094","","90","","94.38","","90","","1303.01","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K (B3 O5)","","- B3 K O5 -","- B3 K O5 -","- B36 K12 O60 -","12","3","","Filatov, S.K.; Polyakova, I.G.; Fundamenskii, V.S.; Bubnova, R.S.","Crystal structure and thermal behavior of K B3 O5","Doklady Akad. Nauk","2004","398","","643","647","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510960","7.0984","","7.0984","","3.8938","","90","","90","","90","","196.198","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Er Ni0.07 B3.93","","- B3.93 Er Ni0.07 -","- B3.93 Er Ni0.07 -","- B15.72 Er4 Ni0.28 -","4","0.25","","Babizhet'sky, V.S.; Kuz'ma, Yu.B.; Chaban, N.F.; Veremchuk, I.V.","Solid solution of Ni in Er B4 and its crystal structure","Journal of Alloys Compd.","2004","377","","117","120","10.1016/j.jallcom.2004.01.027","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511025","5.8125","","5.07801","","8.1947","","90","","90","","90","","241.874","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce (B O3)","","- B Ce O3 -","- B Ce O3 -","- B4 Ce4 O12 -","4","0.5","","Jobic, S.; Goubin, F.; Brec, R.; Rocquefelte, X.; Deniard, P.; Montardi, Y.","Optical properties of Ce B O3 and Ce B3 O6 compounds: first- principles calculations and experimental results","Journal of Solid State Chemistry","2004","177","","89","100","10.1016/S0022-4596(03)00322-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511027","6.3022","","5.0593","","4.1311","","90","","107.528","","90","","125.603","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ce (B O3)","","- B Ce O3 -","- B Ce O3 -","- B2 Ce2 O6 -","2","0.5","","Montardi, Y.; Jobic, S.; Goubin, F.; Rocquefelte, X.; Deniard, P.; Brec, R.","Optical properties of Ce B O3 and Ce B3 O6 compounds: first- principles calculations and experimental results","Journal of Solid State Chemistry","2004","177","","89","100","10.1016/S0022-4596(03)00322-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511039","6.6139","","9.766","","10.6","","90","","90","","90","","684.668","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Mg2 (B N2) Cl","","- B Cl Mg2 N2 -","- B Cl Mg2 N2 -","- B8 Cl8 Mg16 N16 -","8","1","","Somer, M.; Cardoso Gil, R.; Borrmann, H.; Kuetuekcue, M.N.; Carillo-Cabrera, W.","Mg2 (B N2) Cl and Mg8 (B N2)5 I: Novel magnesium nitridoborate halides - syntheses, crystal structures and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1015","1021","10.1002/zaac.200400055","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511095","14.8399","","14.8399","","6.9194","","90","","90","","120","","1319.66","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Er0.917 Ni4.09 B","","- B Er0.917 Ni4.09 -","- B Er0.917389 Ni4.094 -","- B18 Er16.513 Ni73.692 -","18","0.75","","Kuz'ma, Yu.B.; Chaban, N.; Babizhet'sky, V.S.; Veremchuk, I.V.","New borides Er0.917 Ni4.09 B and Er Ni7 B3 and their crystal structures","Journal of Solid State Chemistry","2004","177","","425","430","10.1016/j.jssc.2003.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511162","15.3154","","8.9186","","5.813","","90","","90","","90","","794.009","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Sr (Ga B O4)","","- B Ga O4 Sr -","- B Ga O4 Sr -","- B8 Ga8 O32 Sr8 -","8","1","","He, M.; Liang, J.K.; Yang, Z.; Chen, X.L.; Chen, J.R.","The crystal structure of alpha-(Sr Ga B O4)","Crystal Research and Technology","2004","39","","634","642","10.1002/crat.200310235","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511271","13.9882","","13.9882","","7.4515","","90","","90","","120","","1262.69","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","V2 (B (P O4)3)","","- B O12 P3 V2 -","- B O12 P3 V2 -","- B6 O72 P18 V12 -","6","0.5","","Meisel, M.; Paech, M.; Wulff-Molder, D.; Wilde, L.","Synthese und Kristallstruktur von Vanadium(III)-borophosphat, V2[B(PO4)3]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","983","985","10.1002/zaac.200400102","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511283","8.508","","8.508","","6.4141","","90","","90","","120","","402.088","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Gd5 Si3 B0.64","","- B0.64 Gd5 Si3 -","- B0.64 Gd5 Si3 -","- B1.28 Gd10 Si6 -","2","0.0833333","","Babizhet'sky, V.S.; Bauer, J.; Roger, J.; Deputier, S.; Jardin, R.; Guerin, R.","Solid state phase equilibria in the Gd - Si - B system at 1270 K","Journal of Solid State Chemistry","2004","177","","415","424","10.1016/j.jssc.2003.02.011","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511329","6.8015","","6.8015","","3.33771","","90","","90","","120","","133.718","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ti6 Si2 B","","- B Si2 Ti6 -","- B Si2 Ti6 -","- B Si2 Ti6 -","1","0.0833333","","Rogl, P.; Grytsiv, A.V.; Coelho, G.C.; Suzuki, P.A.; Nunes, C.A.; Rodrigues, G.; Ramos, A.S.","Ti6 Si2 B, a new ternary phase in the Ti - Si - B system","Intermetallics","2004","12","","487","491","10.1016/j.intermet.2004.01.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511373","21.711","","6.446","","10.952","","90","","105.897","","90","","1474.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 Tl2 (B10 O17)","","- B10 Na2 O17 Tl2 -","- B10 Na2 O17 Tl2 -","- B40 Na8 O68 Tl8 -","4","0.5","","Penin, N.; Touboul, M.; Nowogrocki, G.","Crystal structure of two new sodium borates Na3 B7 O12 and Na2 Tl2 B10 O17","Journal of Alloys Compd.","2004","363","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511382","5.47","","6.816","","9.068","","110.74","","94.81","","90.44","","314.811","","","","","","","","","","","","","2","P -1","-P 1","2","","Rh18 B11","","- B11 Rh18 -","- B11 Rh18 -","- B11 Rh18 -","1","0.5","","Salamakha, P.; Rizzoli, C.; Almeida, M.; Sologub, O.L.; Goncalves, A.P.","Rh3 B(2-x), new structure type of binary borides with triclinic symmetry","Journal of Solid State Chemistry","2004","177","","4237","4243","10.1016/j.jssc.2004.06.040","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511391","17.0662","","4.48009","","19.4223","","90","","102.907","","90","","1447.47","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Na2 Ni2 B12 O21","","- B12 Na2 Ni2 O21 -","- B12 Na2 Ni2 O21 -","- B48 Na8 Ni8 O84 -","4","0.5","","Albert, B.; Pompetzki, M.","Ein ionenleitendes Natriumnickelborat: Na2 Ni2 B12 O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2550","2553","10.1002/zaac.200400341","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511428","10.9902","","16.2789","","11.4889","","90","","117.821","","90","","1817.87","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na8 (B12 (B Se3)6)","","- B18 Na8 Se18 -","- B18 Na8 Se18 -","- B36 Na16 Se36 -","2","0.5","","Hammerschmidt, A.; Doech, M.; Puetz, S.; Krebs, B.","Na8 (B12 (B Se3)6): A novel selenoborato-closo-dodecaborate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2299","2303","10.1002/zaac.200400291","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511464","13.227","","6.1675","","6.062","","90","","90","","90","","494.523","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li Ca (B O3)","","- B Ca Li O3 -","- B Ca Li O3 -","- B8 Ca8 Li8 O24 -","8","1","","Xu, Y.P.; He, M.; Li, X.Z.; Dai, L.; Wu, L.; Li, H.; Chen, X.L.","Structure determination of a new compound Li Ca B O3","Journal of Solid State Chemistry","2004","177","","1111","1116","10.1016/j.jssc.2003.10.018","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511546","13.535","","9.35","","11.194","","90","","90","","90","","1416.63","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Mg8 (B N2)5 I","","- B5 I Mg8 N10 -","- B5 I Mg8 N10 -","- B20 I4 Mg32 N40 -","4","0.25","","Kuetuekcue, M.N.; Cardoso Gil, R.; Borrmann, H.; Carillo-Cabrera, W.; Somer, M.","Mg2 (B N2) Cl and Mg8 (B N2)5 I: Novel magnesium nitridoborate halides - syntheses, crystal structures and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1015","1021","10.1002/zaac.200400055","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511593","8.7909","","11.0541","","3.2996","","90","","90","","90","","320.64","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Sc2 Cr B6","","- B6 Cr Sc2 -","- B6 Cr Sc2 -","- B24 Cr4 Sc8 -","4","0.5","","Mykhalenko, S.; Kuz'ma, Yu.B.; Babizhet'sky, V.S.","New compound in the system Sc - Cr - B","Journal of Solid State Chemistry","2004","177","","439","443","10.1016/j.jssc.2003.02.004","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511689","11.531","","12.855","","16.803","","90","","90","","90","","2490.73","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cs2 Ca (B4 O5 (O H)4)2 (H2 O)8","","- B8 Ca Cs2 H11 O26 -","- B8 Ca Cs2 H11 O26 -","- B32 Ca4 Cs8 H44 O104 -","4","1","","Xia Shuping; Yu Kaibei; Yue Tao; Zhu Lixia","Crystal structure and thermal behaviour of Cs2 Ca (B4 O5 (O H)4)2 *8(H2 O)","Journal of Alloys Compd.","2004","372","","97","102","10.1016/j.jallcom.2003.09.136","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513308","9.86","0.002","15.874","0.003","20.79","0.004","81.5","0.03","81.42","0.03","76.87","0.03","3111.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H41 N3 O4 Si -","- C31.5 H41 N3 O4 Si -","- C126 H164 N12 O16 Si4 -","4","2","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative Rearrangement of Imidazoles with Dimethyldioxirane","Organic Letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.0924","0.0564","","0.1881","0.1584","","","","1.135","1.247","1.247","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513967","24.75193","0.00013","24.87184","0.00014","8.1995","0.00004","90","","90","","90","","5047.83","0.05","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li72 Mn144 O288 -","72","2.25","","Piszora, P.","Temperature dependence of the order and distribution of Mn^3+^ and Mn^4+^ cations in orthorhombic LiMn~2~O~4~","Journal of Alloys and Compounds","2004","382","1-2","112","118","10.1016/j.jallcom.2004.06.013","","","","","","0.0393","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513968","24.76328","0.00027","24.80455","0.00026","8.1936","0.00007","90","","90","","90","","5032.85","0.09","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li72 Mn144 O288 -","72","2.25","","Piszora, P.","Temperature dependence of the order and distribution of Mn^3+^ and Mn^4+^ cations in orthorhombic LiMn~2~O~4~","Journal of Alloys and Compounds","2004","382","1-2","112","118","10.1016/j.jallcom.2004.06.013","","","","","","0.0385","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513969","8.24609","0.00014","8.24609","0.00014","8.24609","0.00014","90","","90","","90","","560.718","0.016","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.87)","","- Li Mn2 O3.868 -","- Li Mn2 O3.8664 -","- Li8 Mn16 O30.9312 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","13","1948","1958","10.1039/B314810F","","","","","","0.0422","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1514016","8.2474","0.0002","8.2474","0.0002","8.2474","0.0002","90","","90","","90","","560.98","0.02","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/4)","","- Li Mn2 O4 -","- Li Mn2 O4.04 -","- Li8 Mn16 O32.32 -","8","0.0416667","","Strobel, P.; Rousse, G.; Ibarra-Palos, A.; Masquelier, C.","Disproportionation of stoichiometric Li Mn2 O4 on annealing in oxygen","Journal of Solid State Chemistry","2004","177","","1","5","10.1016/S0022-4596(03)00189-0","","","","","","0.0193","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514017","8.209","0.001","8.209","0.001","8.209","0.001","90","","90","","90","","553.19","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/1.96/4)","","- Li Mn1.96 O4 -","- Li Mn1.96 O4 -","- Li8 Mn15.68 O32 -","8","0.0416667","","Strobel, P.; Rousse, G.; Ibarra-Palos, A.; Masquelier, C.","Disproportionation of stoichiometric Li Mn2 O4 on annealing in oxygen","Journal of Solid State Chemistry","2004","177","","1","5","10.1016/S0022-4596(03)00189-0","","","","","","0.0225","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514019","8.157","0.009","8.157","0.009","8.157","0.009","90","","90","","90","","542.7","1","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(7)lithium Manganese Oxide (0.51/2/4)","","- Li0.511 Mn2 O4 -","- Li0.511 Mn2 O4 -","- Li4.088 Mn16 O32 -","8","0.0416667","","Idemoto, Y.; Horiko, K.; Ui, K.; Koura, N.","Thermodynamic stability and crystal structure dependence of Li content for Lix Mn2-y My O4 (M = Mg, Al, Cr, Mn) as a cathode active material for Li secondary battery","Electrochemistry (Tokyo)","2004","72","10","680","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514020","24.75","0.003","24.801","0.002","8.1903","0.0009","90","","90","","90","","5027.4","0.9","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Lithium Manganese Oxide (1/2/4) - Lt","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li72 Mn144 O288 -","72","2.25","","Akimoto, J.; Takahashi, Y.; Kijima, N.; Gotoh, Y.","Single-crystal X-ray structure analysis of the low temperature form of Li Mn2 O4","Solid State Ionics","2004","172","","491","494","10.1016/j.ssi.2004.01.051","","","","","","0.0558","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514021","8.2455","0.0007","8.2455","0.0007","8.2455","0.0007","90","","90","","90","","560.6","0.08","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/4)","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Akimoto, J.; Takahashi, Y.; Kijima, N.; Gotoh, Y.","Single-crystal X-ray structure analysis of the low temperature form of Li Mn2 O4","Solid State Ionics","2004","172","","491","494","10.1016/j.ssi.2004.01.051","","","","","","0.0249","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514239","13.7","","2.867","","4.46","","90","","90.5","","90","","175.173","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Manganese(IV) Oxide - Gamma","","- Mn O2 -","- Mn O2 -","- Mn6 O12 -","6","0.75","","Hill, L. I.; Verbaere, A.","On the structural defects in synthetic gamma-(Mn O2)s","Journal of Solid State Chemistry","2004","177","","4706","4723","10.1016/j.jssc.2004.08.037","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1517156","9.1575","0.0004","9.1575","0.0004","17.92","0.0015","90","","90","","120","","1301.44","0.14","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C57 H69 N3 O9 S3 -","3","1","","Harmata, Michael; Hong, Xuechuan; Barnes, Charles L.","Benzothiazines in synthesis. Toward the synthesis of pseudopteroxazole.","Organic letters","2004","6","13","2201","2203","10.1021/ol049334+","","","0.71073","MoKα","","0.0391","0.0344","","","0.0759","0.0779","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517157","5.4679","0.0009","8.3878","0.0013","45.772","0.007","90","","90","","90","","2099.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C96 H116 N4 O8 S4 -","4","1","","Harmata, Michael; Hong, Xuechuan; Barnes, Charles L.","Benzothiazines in synthesis. Toward the synthesis of pseudopteroxazole.","Organic letters","2004","6","13","2201","2203","10.1021/ol049334+","","","0.71073","MoKα","","0.1553","0.0671","","","0.1479","0.1932","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517158","32.114","0.002","8.7757","0.0003","22.7056","0.0007","90","","118.4","0.001","90","","5628.8","0.4","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 O2.5 P2 -","- C33 H29 O2.5 P2 -","- C264 H232 O20 P16 -","8","1","","Milton, Marilyn Daisy; Onodera, Gen; Nishibayashi, Yoshiaki; Uemura, Sakae","Double phosphinylation of propargylic alcohols: a novel synthetic route to 1,2-bis(diphenylphosphino)ethane derivatives.","Organic letters","2004","6","22","3993","3995","10.1021/ol048347k","","","0.7107","MoKα","","","0.058","","","","0.183","","","","","","1.439","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517159","9.0468","0.0018","9.605","0.0019","10.503","0.002","76.2","0.03","80.02","0.03","65.93","0.03","806.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Chowdari, Naidu S.; Suri, Jeff T.; Barbas, 3rd, Carlos F","Asymmetric synthesis of quaternary alpha- and beta-amino acids and beta-lactams via proline-catalyzed mannich reactions with branched aldehyde donors.","Organic letters","2004","6","15","2507","2510","10.1021/ol049248+","","","0.71073","MoKα","","0.0757","0.0573","","","0.1426","0.154","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517160","21.56","0.004","31.285","0.006","27.132","0.005","90","","97.14","0.03","90","","18159","6","253","2","253","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C42.5 H53.5 Cl3 N4 O0.25 Pd S2 -","- C42.5 H52 Cl3 N4 O0.25 Pd S2 -","- C680 H832 Cl48 N64 O4 Pd16 S32 -","16","4","","Yang, Dan; Chen, Ying-Chun; Zhu, Nian-Yong","Sterically bulky thioureas as air- and moisture-stable ligands for pd-catalyzed Heck reactions of aryl halides.","Organic letters","2004","6","10","1577","1580","10.1021/ol049697+","","","0.71073","MoKα","","0.1884","0.0806","","","0.2247","0.2675","","","","","","0.879","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517162","13.3697","0.0014","8.2751","0.0009","13.404","0.0015","90","","111.977","0.002","90","","1375.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I N O -","- C14 H14 I N O -","- C56 H56 I4 N4 O4 -","4","1","","Tang, Yu; Li, Chaozhong","Facile 5-endo amidyl radical cyclization promoted by vinylic iodine substitution.","Organic letters","2004","6","19","3229","3231","10.1021/ol049052+","","","0.71073","MoKα","","0.0668","0.0488","","","0.1222","0.1308","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517737","6.4048","0.0004","6.4048","0.0004","4.1087","0.0002","90","","90","","90","","168.545","0.017","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Niobium Oxide Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb2 O10 P2 -","2","0.25","","Trubach, I.G.; Orlova, A.I.; Beskrovnyi, A.I.; Koryttseva, A.K.; Zharinova, M.V.; Kurazhkovskaya, V.S.; Lipatova, E.V.","New phosphate Fe0.5 Nb1.5 (P O4)3 with an electrically neutral framework. Synthesis and crystal structure","Crystallography Reports","2004","49","","396","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519582","11.0194","0.0006","13.23","0.002","16.983","0.004","110.038","0.011","93.94","0.01","109.791","0.012","2140.3","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cl2 Mn N16 O10 -","- C38 H38 Cl2 Mn N16 O10 -","- C76 H76 Cl4 Mn2 N32 O20 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C38H38Cl2MnN16O10","Crystal Structure Report Archive","2004","","","1065","","","","","0.71073","MoKα","","0.0906","0.0661","","","0.1723","0.1886","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519583","20.502","0.004","11.575","0.002","15.431","0.003","90","","107.67","0.02","90","","3489.2","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl3 N12 O16 Zn2 -","- C24 H28 Cl3 N12 O16 Zn2 -","- C96 H112 Cl12 N48 O64 Zn8 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C24H28Cl3N12O16Zn2","Crystal Structure Report Archive","2004","","","1066","","","","","0.71073","MoKα","","0.113","0.0821","","","0.1963","0.2127","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519584","9.1978","0.0008","12.711","0.004","18.081","0.005","88.34","0.02","80.737","0.012","86.262","0.014","2081.5","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H35 Cl3 Mn2 N13 O21.5 -","- C26 H35 Cl3 Mn2 N13 O21.5 -","- C52 H70 Cl6 Mn4 N26 O43 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C26H35Cl3Mn2N13O21.50","Crystal Structure Report Archive","2004","","","1067","","","","","0.71073","MoKα","","0.1575","0.0943","","","0.2176","0.2472","","","","","","1.047","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519585","25.134","0.006","25.332","0.009","20.455","0.009","90","","111.54","0.014","90","","12114","8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H97 Cl8 Mn4 N45 O53 -","- C81 H95 Cl8 Mn4 N45 O53 -","- C324 H380 Cl32 Mn16 N180 O212 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C81H97Cl8Mn4N45O53","Crystal Structure Report Archive","2004","","","1068","","","","","0.71073","MoKα","","0.1052","0.0733","","","0.1448","0.1579","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519586","8.5627","0.0002","10.4508","0.0006","35.5429","0.0017","90","","94.294","0.003","90","","3171.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O6 Pd S3 -","- C33 H33 N3 O6 Pd S3 -","- C132 H132 N12 O24 Pd4 S12 -","4","1","","Hursthouse, Michael B.; Coles, Simon J.","1,6,11-tris[(4-methylphenyl)sulfonyl]-1,6,11-triazaciclopentadeca-3,8,13- triynepalladium","Crystal Structure Report Archive","2004","","","144","","","","","0.71073","MoKα","","0.0461","0.0388","","","0.0982","0.1104","","","","","","1.811","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519587","13.648","0.003","17.348","0.003","33.734","0.008","90","","90","","90","","7987","3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H23 Cl2 N4 O6 P3 -","- C11 H23 Cl2 N4 O6 P3 -","- C176 H368 Cl32 N64 O96 P48 -","16","4","","Hursthouse, Michael B.; Coles, Simon J.","2,2-(3'-amino-1'-propanoxy)-4,6-oxy(tetraethyleneoxy)-4,6- dichlorocyclotriphosphazatriene","Crystal Structure Report Archive","2004","","","147","","","","","0.71073","MoKα","","0.1038","0.0613","","","0.119","0.1362","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519588","8.713","0.004","6.582","0.004","15.739","0.007","90","","101.7","0.05","90","","883.9","0.8","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Marson, Charles M.; Coles, Simon J.; Hursthouse, Michael B.","3-benzyl-6-ethyl-7-(hydroxymethyl)-1,8-dioxa-4-azacycloundecane-5,9,11-trione","Crystal Structure Report Archive","2004","","","892","","","","","0.71073","MoKα","","0.0811","0.057","","","0.0983","0.1043","","","","","","1.38","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519589","16.883","0.002","20.316","0.003","17.594","0.003","90","","113.302","0.01","90","","5542.4","1.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H93 Fe O9.5 P2 S2 -","- C57 H93 Fe O9.5 P2 S2 -","- C228 H372 Fe4 O38 P8 S8 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C57H93FeO9.50P2S2","Crystal Structure Report Archive","2004","","","921","","","","","0.71073","MoKα","","0.0681","0.053","","","0.1302","0.1391","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519590","6.7406","0.0014","11.794","0.0019","11.945","0.003","87.687","0.017","86.67","0.02","81.403","0.018","936.9","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br N O2 Si -","- C20 H20 Br N O2 Si -","- C40 H40 Br2 N2 O4 Si2 -","2","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C20H20BrNO2Si","Crystal Structure Report Archive","2004","","","923","","","","","0.71073","MoKα","","0.0584","0.0402","","","0.0718","0.0774","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519591","10.8714","0.0017","10.915","0.0008","13.574","0.003","90","","111.897","0.015","90","","1494.5","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C18H22O2","Crystal Structure Report Archive","2004","","","924","","","","","0.71073","MoKα","","0.0486","0.0417","","","0.0976","0.1017","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519592","7.9737","0.0008","24.1031","0.0019","7.8367","0.0007","90","","118.41","0.005","90","","1324.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 S3 -","- C10 H10 Br2 S3 -","- C40 H40 Br8 S12 -","4","1","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C10H10Br2S3","Crystal Structure Report Archive","2004","","","1006","","","","","0.71073","MoKα","","0.1188","0.0806","","","0.1903","0.2108","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519593","30.586","0.01","9.66","0.002","18.449","0.005","90","","94.599","0.01","90","","5433","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 N18 P6 -","- C42 H54 N18 P6 -","- C168 H216 N72 P24 -","4","1","","Yenilmez-Ciftci, Gonul; Shaw, Robert A.; Mayer, Thomas A.; Kilic, A.; Hursthouse, Michael B.; Davies, David B.; Coles, Simon J.","1,3,5,7,11-Pentaaza-2,4,6-triphospha spiro[5.5] undeca-1,3,5-triene- (1,4-butanediyl)bis[2,2,4,4-tetrapyrrollidine]","Crystal Structure Report Archive","2004","","","105","","","","","0.71073","MoKα","","0.275","0.1405","","","0.2593","0.3149","","","","","","1.192","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519594","16.4963","0.0018","8.325","0.003","20.061","0.006","90","","90","","90","","2755","1.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C112 H160 O40 -","8","1","","Rousay, Esther; Frey, Jeremy G.; Coles, Simon J.; Hursthouse, Michael B.","6,7,9,10,12,13,15,16-Octahydro-benzo-1,4,7,10,13-pentaoxacyclopentadecin","Crystal Structure Report Archive","2004","","","145","","","","","0.71073","MoKα","","0.0977","0.0487","","","0.1008","0.1192","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519595","10.023","0.0004","10.8755","0.0005","15.397","0.0007","79.211","0.002","77.133","0.002","69.254","0.002","1519.28","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Cl8 N10 O0 P6 -","- C10 H22 Cl8 N10 P6 -","- C20 H44 Cl16 N20 P12 -","2","1","","Hursthouse, Michael B.; Coles, Simon J.","syn-(mu2-Tetramethylene)-bis(2-(1,3-propylenediamine-N,N')-4,4,6,6-tetrachloro- cyclotriphosphazene","Crystal Structure Report Archive","2004","","","57","","","","","0.71073","MoKα","","0.1087","0.0742","","","0.196","0.2184","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519596","8.5936","0.0018","7.2355","0.0014","15.311","0.007","90","","103.98","0.03","90","","923.8","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C40 H48 N4 O10 -","2","1","","Croft, Anna K.; Foley, Mark K.; Horton, Peter N.; Hursthouse, Michael B.","C20H24N2O5","Crystal Structure Report Archive","2004","","","876","","","","","0.71073","MoKα","","0.0573","0.0468","","","0.1083","0.1134","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519597","8.5152","0.0009","9.6458","0.0003","21.897","0.005","86.955","0.006","85.97","0.02","84.691","0.006","1784.4","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H54 B2 Sn -","- C40 H54 B2 Sn -","- C80 H108 B4 Sn2 -","2","1","","Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.","C40H54B2Sn","Crystal Structure Report Archive","2004","","","893","","","","","0.71073","MoKα","","0.1354","0.128","","","0.3258","0.3308","","","","","","1.224","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519598","8.297","0.0012","7.898","0.003","24.122","0.004","90","","92.36","0.02","90","","1579.4","0.7","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 B -","- C19 H25 B -","- C76 H100 B4 -","4","1","","Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.","C38H50B2","Crystal Structure Report Archive","2004","","","894","","","","","0.71073","MoKα","","0.2552","0.1406","","","0.1531","0.1918","","","","","","1.076","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1519599","11.5254","0.0009","14.3958","0.0011","20.4783","0.0012","90","","95.396","0.006","90","","3382.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 Cl5 Fe P2 Pd -","- C29 H49 Cl5 Fe P2 Pd -","- C116 H196 Cl20 Fe4 P8 Pd4 -","4","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C29H49Cl5FeP2Pd","Crystal Structure Report Archive","2004","","","919","","","","","0.71073","MoKα","","0.0651","0.0366","","","0.0681","0.0765","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519600","24.578","0.005","9.333","0.0019","15.288","0.003","90","","123.25","0.03","90","","2932.7","1.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Fe P2 -","- C30 H52 Fe P2 -","- C120 H208 Fe4 P8 -","4","0.5","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C30H52FeP2","Crystal Structure Report Archive","2004","","","920","","","","","0.71073","MoKα","","0.0524","0.0341","","","0.0701","0.077","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519601","23.507","0.005","18.121","0.004","21.007","0.004","90","","118.687","0.003","90","","7850","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H62 Cl6 N26 O30 Zn3 -","- C58 H50 Cl6 N26 O30 Zn3 -","- C232 H200 Cl24 N104 O120 Zn12 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C58H62Cl6N26O30Zn3","Crystal Structure Report Archive","2004","","","1063","","","","","0.71073","MoKα","","0.1705","0.1245","","","0.2745","0.2976","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519602","11.3216","0.0003","13.2873","0.0006","13.932","0.0009","110.438","0.004","98.073","0.004","115.161","0.004","1671.26","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H17 Cl3 F4 N4 S6 -","- C31 H17 Cl3 F4 N4 S6 -","- C62 H34 Cl6 F8 N8 S12 -","2","1","","Hursthouse, Michael B.; Huth, Susanne. L.","1,3,8,10-Tetrakis-(4-fluoro-phenyl)-1,3,8,10-tetrahydro-4,5,6,7-tetrathia- 1,3,8,10-tetraaza-dicyclopenta[a,c]cyclooctene-2,9-dithione","Crystal Structure Report Archive","2004","","","30","","","","","0.71073","MoKα","","0.0493","0.0382","","","0.0927","0.1038","","","","","","0.669","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519603","19.4376","0.0015","11.1178","0.0011","30.276","0.003","90","","91.579","0.008","90","","6540.3","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H53 Cl3 Fe P2 Pd -","- C30.5 H53 Cl3 Fe P2 Pd -","- C244 H424 Cl24 Fe8 P16 Pd8 -","8","2","","Butler, Ian. R.; Horton, Peter N.; Hursthouse, Michael B.","C30.5H53Cl3FeP2Pd","Crystal Structure Report Archive","2004","","","565","","","","","0.71073","MoKα","","0.0401","0.0293","","","0.065","0.0689","","","","","","1.038","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519604","23.024","0.002","12.4019","0.0006","15.574","0.001","90","","109.102","0.007","90","","4202.2","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 Cl2 Fe O6 P2 Pd -","- C38 H76 Cl2 Fe O6 P2 Pd -","- C152 H304 Cl8 Fe4 O24 P8 Pd4 -","4","1","","Butler, Ian. R.; Horton, Peter N.; Hursthouse, Michael B.","C38H76Cl2FeO6P2Pd","Crystal Structure Report Archive","2004","","","657","","","","","0.71073","MoKα","","0.0389","0.032","","","0.0765","0.0799","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519605","12.342","0.003","14.132","0.003","12.611","0.003","90","","90.835","0.018","90","","2199.3","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 Cl3 N4 O5 P3 -","- C11 H24 Cl3 N4 O5 P3 -","- C44 H96 Cl12 N16 O20 P12 -","4","1","","Shaw, Robert. A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C11H24Cl3N4O5P3","Crystal Structure Report Archive","2004","","","875","","","","","0.71073","MoKα","","0.0822","0.0591","","","0.1452","0.1592","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519606","10.0484","0.0007","12.2174","0.001","14.7534","0.0019","90","","100.896","0.009","90","","1778.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 Fe P4 -","- C34 H62 Fe P4 -","- C68 H124 Fe2 P8 -","2","0.5","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C34H62FeP4","Crystal Structure Report Archive","2004","","","918","","","","","0.71073","MoKα","","0.0323","0.0263","","","0.0624","0.0651","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519607","6.179","0.003","17.15","0.007","20.284","0.007","75.3973","0.0018","89.419","0.002","84.076","0.002","2068.7","1.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15.33333 H16.33333 Cl O2 -","- C15.3333 H16.3333 Cl O2 -","- C92 H98 Cl6 O12 -","6","3","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C46H49Cl3O6","Crystal Structure Report Archive","2004","","","925","","","","","0.71073","MoKα","","0.1275","0.0671","","","0.1477","0.1751","","","","","","1.019","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1519608","25.809","0.005","11.899","0.005","17.357","0.005","90","","90","","90","","5330","3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H46 Cl4 N16 Ni2 O21 -","- C44 H36 Cl4 N16 Ni2 O21 -","- C176 H144 Cl16 N64 Ni8 O84 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H46Cl4N16Ni2O21","Crystal Structure Report Archive","2004","","","989","","","","","0.71073","MoKα","","0.1288","0.081","","","0.172","0.1905","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519609","14.668","0.005","19.628","0.005","25.461","0.005","90","0.005","93.882","0.005","90","0.005","7313","3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Cl6 Fe4 N24 O35.5 -","- C48 H40 Cl6 Fe4 N24 O35.5 -","- C192 H160 Cl24 Fe16 N96 O142 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.; Davis, Lisa","C48H59Cl6Fe4N24O35.50","Crystal Structure Report Archive","2004","","","993","","","","","0.71073","MoKα","","0.1105","0.0724","","","0.1642","0.1817","","","","","","1.072","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1519610","11.9934","0.0019","13.9655","0.0013","17.1114","0.0008","93.943","0.007","105.572","0.009","90.99","0.012","2752.4","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H52 Cl2 Mn N24 O11 -","- C49 H52 Cl2 Mn N24 O11 -","- C98 H104 Cl4 Mn2 N48 O22 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C49H52Cl2MnN24O11","Crystal Structure Report Archive","2004","","","994","","","","","0.71073","MoKα","","0.0515","0.0411","","","0.1069","0.1128","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519729","8.0116","0.0001","8.3409","0.0001","12.2865","0.0002","90","","90","","90","","821.03","0.02","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 S3 -","- C7 H8 S3 -","- C28 H32 S12 -","4","1","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C7H8S3","Crystal Structure Report Archive","2004","","","1003","","","","","0.71073","MoKα","","0.0202","0.0197","","","0.0495","0.05","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519730","24.1967","0.0016","10.5977","0.0007","7.5551","0.0004","90","","95.146","0.003","90","","1929.5","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O4 S5 -","- C17 H12 N2 O4 S5 -","- C68 H48 N8 O16 S20 -","4","0.5","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C17H12N2O4S5","Crystal Structure Report Archive","2004","","","1004","","","","","0.71073","MoKα","","0.0629","0.0415","","","0.093","0.1015","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519731","20.4346","0.0003","31.7982","0.0005","17.2829","0.0002","90","","90","","90","","11230.1","0.3","120","2","120","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C97 H38 O5 -","- C97 H38 O5 -","- C776 H304 O40 -","8","1","","Smith, Paul D.; Coles, Simon J.; Hursthouse, Michael B.","C24H29N5NiO3S2","Crystal Structure Report Archive","2004","","","906","","","","","0.71073","MoKα","","0.1261","0.068","","","0.1631","0.1929","","","","","","1.023","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519732","8.6774","0.0003","9.0176","0.0003","10.074","0.0003","107.625","0.002","96.197","0.002","102.871","0.002","719.24","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 B F4 N2 -","- C13 H19 B F4 N2 -","- C26 H38 B2 F8 N4 -","2","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C13H19BF4N2","Crystal Structure Report Archive","2004","","","966","","","","","0.71073","MoKα","","0.0575","0.0517","","","0.1286","0.1338","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519733","9.2017","0.0001","16.0731","0.0003","18.2782","0.0004","90","","90","","90","","2703.34","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H15 F6 N2 P -","- C11 H15 F6 N2 P -","- C88 H120 F48 N16 P8 -","8","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C11H15F6N2P","Crystal Structure Report Archive","2004","","","967","","","","","0.71073","MoKα","","0.0505","0.0431","","","0.1204","0.1265","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519734","14.146","0.005","15.602","0.005","20.484","0.005","81.484","0.005","71.672","0.005","71.901","0.005","4073","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 Cl6 Cr2 N24 O30 Zn2 -","- C68 H48 Cl6 Cr2 N24 O30 Zn2 -","- C136 H96 Cl12 Cr4 N48 O60 Zn4 -","2","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C68H52Cl6Cr2N24O30Zn2","Crystal Structure Report Archive","2004","","","978","","","","","0.71073","MoKα","","0.189","0.1425","","","0.4083","0.4307","","","","","","1.606","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519735","12.463","0.005","10.797","0.001","22.201","0.005","90","","91.765","0.002","90","","2986","1.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Fe N4 O10 -","- C11 H11 Fe N4 O10 -","- C88 H88 Fe8 N32 O80 -","8","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C11H11FeN4O10","Crystal Structure Report Archive","2004","","","988","","","","","0.71073","MoKα","","0.0815","0.0516","","","0.124","0.1389","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519736","17.648","0.003","12.6089","0.0018","22.985","0.004","90","","90","","90","","5114.7","1.4","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H36 Cl4 N16 O16 Zn2 -","- C44 H36 Cl4 N16 O16 Zn2 -","- C176 H144 Cl16 N64 O64 Zn8 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H36Cl4N16O16Zn2","Crystal Structure Report Archive","2004","","","990","","","","","0.71073","MoKα","","0.0552","0.0418","","","0.095","0.1018","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519737","17.335","0.003","12.828","0.002","23.107","0.004","90","","90","","90","","5138.4","1.5","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H36 Cl4 Mn2 N16 O16 -","- C44 H36 Cl4 Mn2 N16 O16 -","- C176 H144 Cl16 Mn8 N64 O64 -","4","0.5","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H36Cl4Mn2N16O16","Crystal Structure Report Archive","2004","","","991","","","","","0.71073","MoKα","","0.0745","0.0548","","","0.1298","0.1422","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519738","25.808","0.005","11.9889","0.0008","17.384","0.003","90","","90","","90","","5378.8","1.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H46 Cl4 Co2 N16 O21 -","- C44 H36 Cl4 Co2 N16 O21 -","- C176 H144 Cl16 Co8 N64 O84 -","4","1","","Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.","C44H46Cl4Co2N16O21","Crystal Structure Report Archive","2004","","","992","","","","","0.71073","MoKα","","0.0827","0.0568","","","0.1381","0.1512","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519739","10.6034","0.0002","10.6034","0.0001","6.3943","0.0002","90","","90","","90","","718.92","0.03","120","2","120","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C10 H22 Se Sn2 -","- C10 H22 Se Sn2 -","- C20 H44 Se2 Sn4 -","2","0.25","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C10H22SeSn2","Crystal Structure Report Archive","2004","","","1005","","","","","0.71073","MoKα","","0.0378","0.0378","","","0.0928","0.0928","","","","","","1.221","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519740","17.448","0.003","8.498","0.002","15.511","0.003","90","","112.81","0.03","90","","2120","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Bingham, Ann L.; Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form III)","Crystal Structure Report Archive","2004","","","397","","","","","0.71073","MoKα","","0.1024","0.0485","","","0.0946","0.1072","","","","","","0.93","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519741","8.193","0.002","8.538","0.002","15.437","0.003","90","","94.01","0.03","90","","1077.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Bingham, Ann L.; Hughes, David S.; Threlfall, Terence L.; Hursthouse, Michael B.","4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form IV)","Crystal Structure Report Archive","2004","","","398","","","","","0.71073","MoKα","","0.0335","0.031","","","0.0812","0.0827","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519742","10.774","0.001","8.467","0.001","11.367","0.001","90","","91.65","0.01","90","","1036.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Bingham, Ann E.; Hughes, David S.; Threlfall, Terence L.; Hursthouse, Michael B.","4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form V)","Crystal Structure Report Archive","2004","","","399","","","","","0.71073","MoKα","","0.0555","0.0382","","","0.091","0.0959","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519743","10.534","0.002","12.936","0.003","17.191","0.003","90","","107.77","0.03","90","","2230.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Bingham, Ann E.; Hughes, David S.; Threlfall, Terence L.; Hursthouse, Michael B.","4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form I)","Crystal Structure Report Archive","2004","","","401","","","","","0.71073","MoKα","","0.0646","0.04","","","0.0917","0.1016","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519744","11.6146","0.0002","13.342","0.0004","16.3699","0.0004","90","","90","","90","","2536.71","0.11","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N5 Ni O3 S2 -","- C24 H29 N5 Ni O3 S2 -","- C96 H116 N20 Ni4 O12 S8 -","4","1","","Smith, Paul D.; Coles, Simon J.; Hursthouse, Michael B.","C24H29N5NiO3S2","Crystal Structure Report Archive","2004","","","905","","","","","0.71073","MoKα","","0.0367","0.0334","","","0.0757","0.0781","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519745","10.5701","0.0003","11.0531","0.0003","11.7699","0.0003","88.065","0.002","89.074","0.002","88.757","0.002","1373.83","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 B F4 N2 -","- C12 H17 B F4 N2 -","- C48 H68 B4 F16 N8 -","4","2","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C12H17BF4N2","Crystal Structure Report Archive","2004","","","964","","","","","0.71073","MoKα","","0.0797","0.0549","","","0.1341","0.1465","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519746","10.8197","0.0005","11.9252","0.0007","11.2662","0.0006","90","","92.577","0.004","90","","1452.17","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 F6 N2 P -","- C12 H17 F6 N2 P -","- C48 H68 F24 N8 P4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C12H17F6N2P","Crystal Structure Report Archive","2004","","","965","","","","","0.71073","MoKα","","0.0408","0.0386","","","0.1029","0.1051","","","","","","1.28","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524925","5.9269","","3.3597","","6.3583","","90","","108.096","","90","","120.348","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","In (Cr0.333 Ti0.667) O3.333","","- Cr0.333 In O2 Ti0.667 -","- Cr0.333 In O2 Ti0.667 -","- Cr0.666 In2 O4 Ti1.334 -","2","0.25","","Michiue, Y.; Onoda, M.; Brown, F.; Kimizuka, N.","Modulated structure of the composite crystal In Cr1-x Tix O3+x/2","Journal of Solid State Chemistry","2004","177","","2644","2648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525067","4.93","","5.051","","11.14","","90","","98.05","","90","","274.668","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(Sr2 Co O3) (Co O2)1.796","","- Co O3 Sr2 -","- Co O3 Sr2 -","- Co2 O6 Sr4 -","2","0.25","","Pelloquin, D.; Hebert, S.; Maignan, A.; Raveau, B.","A new thermoelectric misfit cobaltite: (Sr2 Co O3) (Co O2)1.8","Solid State Sciences","2004","6","","167","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528316","8.4983","","8.4983","","8.4983","","90","","90","","90","","613.757","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Mn Fe2 O4","","- Fe2 Mn O4 -","- Fe2 Mn O4 -","- Fe16 Mn8 O32 -","8","0.0416667","","Antic, B.; Kremenovic, A.; Stoiljkovic, M.; Nikolic, A.S.","Cation distribution and size-strain microstructure analysis in ultrafine Zn-Mn Ferrites obtained from acetylacetonato complexes","J. Phys. Chem. B","2004","108","","12646","12651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528317","8.43813","","8.43813","","8.43813","","90","","90","","90","","600.812","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zn0.41 Mn0.50 Fe1.83 O4","","- Fe1.83 Mn0.5 O4 Zn0.41 -","- Fe1.83 Mn0.499 O4 Zn0.41 -","- Fe14.64 Mn3.992 O32 Zn3.28 -","8","0.0416667","","Antic, B.; Kremenovic, A.; Nikolic, A.S.; Stoiljkovic, M.","Cation distribution and size-strain microstructure analysis in ultrafine Zn-Mn Ferrites obtained from acetylacetonato complexes","J. Phys. Chem. B","2004","108","","12646","12651","","","","","","","","","","","","","","","","","","","","","","has coordinates","150348","2020-10-21","18:00:00",""
"1528318","8.4748","","8.4748","","8.4748","","90","","90","","90","","608.679","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zn0.18 Mn0.67 Fe1.85 O4","","- Fe1.85 Mn0.67 O4 Zn0.18 -","- Fe1.854 Mn0.675 O4 Zn0.183 -","- Fe14.832 Mn5.4 O32 Zn1.464 -","8","0.0416667","","Antic, B.; Nikolic, A.S.; Kremenovic, A.; Stoiljkovic, M.","Cation distribution and size-strain microstructure analysis in ultrafine Zn-Mn Ferrites obtained from acetylacetonato complexes","J. Phys. Chem. B","2004","108","","12646","12651","","","","","","","","","","","","","","","","","","","","","","has coordinates","150349","2020-10-21","18:00:00",""
"1528320","14.2446","","13.7884","","15.5","","90","","116.709","","90","","2719.53","","","","","","","","","","","","","8","I 1 2/m 1","-I 2y","12","","Na4 K4 Ba2 Mn Ti8 (Si4 O12)4 (O H)16 (H2 O)2","","- Ba2 H20 K4 Mn Na4 O66 Si16 Ti8 -","- Ba2 K4 Mn Na4 O66 Si16 Ti8 -","- Ba4 K8 Mn2 Na8 O132 Si32 Ti16 -","2","0.25","","Armbruster, T.; Krivovichev, S.V.; Organova, N.N.; Weber, T.; Gnos, E.; Yakovenchuk, V.N.; Shlyukova, Z.V.","Origin of diffuse superstructure reflections in labuntsovite-group minerals","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528598","24.1514","","24.1514","","21.8711","","90","","90","","90","","12757.2","","","","","","","","","","","","","8","I 4/m","-I 4","87","","(N H2 (C H3)2)16 (Mo3 S4 (H2 O)5)4 (Si W10 O36)4 (H2 O)28","","- C32 H224 Mo12 N16 O192 S16 Si4 W40 -","- C32 Mo12 N16 O192 S16 Si4 W40 -","- C64 Mo24 N32 O384 S32 Si8 W80 -","2","0.125","","Izarova, N.V.; Sokolov, M.N.; Marrot, J.; Cadot, E.; Fedin, V.P.; Secheresse, F.","Synthesis and structure of supermolecular polyoxothiometalate nanocluster containing 52 metal atoms [{Mo3 S4 (H2 O)5}4 (gamma-Si W10 O36)4](16-)","Izvestiya Akad. Nauk, Seriya Khimicheskaya","2004","53","","1445","1448","","","","","","","","","","","","","","","","","","","","","","has coordinates","151057","2020-10-21","18:00:00",""
"1528651","5.358","","9.281","","14.574","","90","","97.08","","90","","719.204","","","","","","","","","","","","","6","C 1","C 1","1","","Na0.58 Mg6 (Si4 Al2 O10) O8 H1.42","","- Al2 H1.42 Mg6 Na0.58 O18 Si4 -","- Al2 Mg6 Na0.58 O18 Si4 -","- Al4 Mg12 Na1.16 O36 Si8 -","2","","","Krivovichev, S.V.; Burns, P.C.; Armbruster, T.; Seredkin, M.V.; Organova, N.I.; Chukanov, N.V.","Incorporation of sodium into the chlorite structure: the crystal structure of glagolevite, Na (Mg, Al)6 [Si3 Al O10] (O H, O)8","American Mineralogist","2004","89","","1138","1141","","","","","","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"1528685","14.7514","","13.0827","","7.5648","","90","","111.997","","90","","1353.64","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ca Al2 Si4 O12 (H2 O)3.02","","- Al2 Ca H6.04 O15.02 Si4 -","- Al2 Ca O15.02 Si4 -","- Al8 Ca4 O60.08 Si16 -","4","0.5","","Lee, Y.; Hriljac, J.A.; Vogt, T.","Pressure-induced migration of zeolitic water in laumontite","Physics and Chemistry of Minerals (Germany)","2004","31","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528829","15.78","","15.78","","15.78","","90","","90","","90","","3929.35","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Ce C82","","- C82 Ce -","- C82.0164 Ce -","- C328.066 Ce4 -","4","0.166667","","Rikiishi, Y.; Kubozono, Y.; Hosokawa, T.; Takabayashi, Y.; Fujiwara, A.; Shibata, K.; Haruyama, Y.; Iwasa, Y.; Kobayashi, S.; Mori, S.","Structural and electronic characterizations of two isomers of Ce@C82","J. Phys. Chem. B","2004","108","","7580","7585","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528946","2.462","","8.053","","6.108","","90","","90","","90","","121.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mg Si O3","","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.25","","Tsuchiya, T.; Wentzcovitch, R.M.; Umemoto, S.; Tsuchiya, J.","Phase transition in Mg Si O3 perovskite in the earth's lower mantle","Earth and Planetary Science Letters","2004","224","","241","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529095","14.5263","","3.7944","","7.7219","","90","","93.727","","90","","424.72","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","H0.95 (Mo O3)","","- H0.95 Mo O3 -","- H0.95 Mo O3 -","- H7.6 Mo8 O24 -","8","1","","Adams, S.; Moretzki, O.; Canadell, E.","Global instability index optimisation for the localization of mobile protons","Solid State Ionics","2004","168","","281","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529096","11.2362","","11.2362","","8.6084","","90","","90","","90","","1086.83","","","","","","","","","","","","","6","I -4 m 2","I -4 -2","119","","Cd (Zr Sr (C2 O4)4) (H2 O)6","","- C8 H12 Cd O22 Sr Zr -","- C8 H8 Cd O22 Sr Zr -","- C16 H16 Cd2 O44 Sr2 Zr2 -","2","0.125","","Audebrand, N.; Bataille, T.; Jeanneau, E.; Raite, S.; Louer, D.","A family of microporous mixed oxalates with isotypic-framework structures based on eight-coordinate metals","Solid State Sciences","2004","6","","579","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529097","11.0549","","11.0549","","8.9735","","90","","90","","90","","1096.66","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","In K (C2 O4)2 (H2 O)4","","- C4 H8 In K O12 -","- C4 H8 In K O12 -","- C16 H32 In4 K4 O48 -","4","0.25","","Audebrand, N.; Jeanneau, E.; Raite, S.; Bataille, T.; Louer, D.","A family of microporous mixed oxalates with isotypic-framework structures based on eight-coordinate metals","Solid State Sciences","2004","6","","579","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529098","11.4569","","11.4569","","9.1502","","90","","90","","90","","1201.06","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","Y Rb (C2 O4)2 (H2 O)4","","- C4 H8 O12 Rb Y -","- C4 O12 Rb Y -","- C16 O48 Rb4 Y4 -","4","0.25","","Audebrand, N.; Jeanneau, E.; Bataille, T.; Raite, S.; Louer, D.","A family of microporous mixed oxalates with isotypic-framework structures based on eight-coordinate metals","Solid State Sciences","2004","6","","579","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529099","11.2558","","11.2558","","8.4288","","90","","90","","90","","1067.87","","","","","","","","","","","","","3","I -4 m 2","I -4 -2","119","","Ca2 Zr (C2 O4)4 (H2 O)5.5","","- Ca2 O20 Zr -","- Ca2 O20 Zr -","- Ca4 O40 Zr2 -","2","0.125","","Audebrand, N.; Jeanneau, E.; Louer, D.; Bataille, T.; Raite, S.","A family of microporous mixed oxalates with isotypic-framework structures based on eight-coordinate metals","Solid State Sciences","2004","6","","579","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529102","4.609","","14.195","","17.214","","90","","90","","90","","1126.22","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Ba (H P O4)","","- Ba H O4 P -","- Ba H O4 P -","- Ba12 H12 O48 P12 -","12","1.5","","Ben Chaabane, T.; Smiri, L.; Bulou, A.","Vibrational study and crystal structure refinement of Ba H P O4","Solid State Sciences","2004","6","","197","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529105","10.202","","10.202","","10.202","","90","","90","","90","","1061.83","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.65 Mg0.35) (Ti2 O6.825)","","- Mg0.35 O6.825 Sm1.65 Ti2 -","- Mg0.35 O6.825 Sm1.65 Ti2 -","- Mg2.8 O54.6 Sm13.2 Ti16 -","8","0.0416667","","Daidouh, A.; Pico, C.; Abboudi, M.; Veiga, M.L.; Almontassir, A.; Hanebali, L.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152168","2020-10-21","18:00:00",""
"1529106","10.206","","10.206","","10.206","","90","","90","","90","","1063.08","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.78 Co0.22) (Ti2 O6.89)","","- Co0.22 O6.89 Sm1.78 Ti2 -","- Co0.22 O6.888 Sm1.78 Ti2 -","- Co1.76 O55.104 Sm14.24 Ti16 -","8","0.0416667","","Daidouh, A.; Almontassir, A.; Pico, C.; Veiga, M.L.; Abboudi, M.; Hanebali, L.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152169","2020-10-21","18:00:00",""
"1529107","10.199","","10.199","","10.199","","90","","90","","90","","1060.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.65 Co0.35) (Ti2 O6.825)","","- Co0.35 O6.825 Sm1.65 Ti2 -","- Co0.35 O6.825 Sm1.65 Ti2 -","- Co2.8 O54.6 Sm13.2 Ti16 -","8","0.0416667","","Daidouh, A.; Almontassir, A.; Veiga, M.L.; Pico, C.; Hanebali, L.; Abboudi, M.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152170","2020-10-21","18:00:00",""
"1529108","10.219","","10.219","","10.219","","90","","90","","90","","1067.15","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.89 Ni0.11) (Ti2 O6.945)","","- Ni0.11 O6.945 Sm1.89 Ti2 -","- Ni0.11 O6.944 Sm1.89 Ti2 -","- Ni0.88 O55.552 Sm15.12 Ti16 -","8","0.0416667","","Daidouh, A.; Veiga, M.L.; Pico, C.; Hanebali, L.; Almontassir, A.; Abboudi, M.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152171","2020-10-21","18:00:00",""
"1529109","10.213","","10.213","","10.213","","90","","90","","90","","1065.27","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.70 Ni0.30) (Ti2 O6.85)","","- Ni0.3 O6.85 Sm1.7 Ti2 -","- Ni0.3 O6.853 Sm1.7 Ti2 -","- Ni2.4 O54.824 Sm13.6 Ti16 -","8","0.0416667","","Daidouh, A.; Pico, C.; Hanebali, L.; Veiga, M.L.; Abboudi, M.; Almontassir, A.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152172","2020-10-21","18:00:00",""
"1529110","10.216","","10.216","","10.216","","90","","90","","90","","1066.21","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.89 Mg0.11) (Ti2 O6.945)","","- Mg0.11 O6.945 Sm1.89 Ti2 -","- Mg0.11 O6.944 Sm1.89 Ti2 -","- Mg0.88 O55.552 Sm15.12 Ti16 -","8","0.0416667","","Daidouh, A.; Pico, C.; Almontassir, A.; Veiga, M.L.; Hanebali, L.; Abboudi, M.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152173","2020-10-21","18:00:00",""
"1529111","10.209","","10.209","","10.209","","90","","90","","90","","1064.02","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Sm1.78 Mg0.22) (Ti2 O6.89)","","- Mg0.22 O6.89 Sm1.78 Ti2 -","- Mg0.22 O6.888 Sm1.78 Ti2 -","- Mg1.76 O55.104 Sm14.24 Ti16 -","8","0.0416667","","Daidouh, A.; Veiga, M.L.; Pico, C.; Almontassir, A.; Abboudi, M.; Hanebali, L.","Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni)","Solid State Sciences","2004","6","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","152174","2020-10-21","18:00:00",""
"1529112","10.477","","10.477","","10.477","","90","","90","","90","","1150.03","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Y7 Re O14.16","","- O14.16 Re Y7 -","- O14.16 Re Y7 -","- O56.64 Re4 Y28 -","4","0.0208333","","Ehrenberg, H.; Miehe, G.; Hartmann, T.; Bramnik, K.G.; Fuess, H.","Yttrium rhenium oxide, Y7 Re O14-d: a cubic fluorite superstructure","Solid State Sciences","2004","6","","247","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529114","7.798","","7.798","","7.592","","90","","90","","120","","399.81","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- K3 N -","- K3 N -","- K6 N2 -","2","0.0833333","","Fischer, D.; Schoen, J.C.; Cancarevic, Z.; Jansen, M.","Zur Synthese und Struktur von K3 N","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","156","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529115","6.411","","6.459","","10.015","","90.18","","97.02","","110","","386.327","","","","","","","","","","","","","6","P -1","-P 1","2","","(C (N H2)3)2 Cd (H2 O)4 (S O4)2","","- C2 H20 Cd N6 O12 S2 -","- C2 H20 Cd N6 O12 S2 -","- C2 H20 Cd N6 O12 S2 -","1","0.5","","Fleck, M.; Bohaty, L.; Tillmanns, E.","Structural characterisation of M(II) guanidinium sulphate hydrates (M(II) = Mn, Fe, Co, Ni, Cd, V O)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529116","10.026","","7.633","","12.025","","90","","97.09","","90","","913.218","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(C (N H2)3)2 Ni (H2 O)6 (S O4)2","","- C2 H24 N6 Ni O14 S2 -","- C2 H24 N6 Ni O14 S2 -","- C4 H48 N12 Ni2 O28 S4 -","2","0.5","","Fleck, M.; Bohaty, L.; Tillmanns, E.","Structural characterisation of M(II) guanidinium sulphate hydrates (M(II) = Mn, Fe, Co, Ni, Cd, V O)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529117","7.366","","12.366","","19.302","","107.1","","94.07","","90.05","","1675.78","","","","","","","","","","","","","6","P -1","-P 1","2","","(C (N H2)3)2 (V O) (H2 O)4 (S O4)2","","- C2 H20 N6 O13 S2 V -","- C2 H20 N6 O13 S2 V -","- C8 H80 N24 O52 S8 V4 -","4","2","","Fleck, M.; Tillmanns, E.; Bohaty, L.","Structural characterisation of M(II) guanidinium sulphate hydrates (M(II) = Mn, Fe, Co, Ni, Cd, V O)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529118","9.173","","14.986","","17.505","","90","","92.94","","90","","2403.19","","","","","","","","","","","","","5","I 1 a 1","I -2ya","9","","(N H4)2 ((Mo Cl)6 Cl8) (H2 O)","","- Cl14 H10 Mo6 N2 O -","- Cl14 H10 Mo6 N2 O -","- Cl56 H40 Mo24 N8 O4 -","4","1","","Flemstroem, A.; Hirsch, T.K.; Lidin, S.; Eriksson, L.","The structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X= N H4, K, Rb, Cs","Solid State Sciences","2004","6","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529119","9.14","","14.852","","17.445","","90","","93.48","","90","","2363.75","","","","","","","","","","","","","5","I 1 a 1","I -2ya","9","","K2 ((Mo Cl)6 Cl8) (H2 O)","","- Cl14 H2 K2 Mo6 O -","- Cl14 H2 K2 Mo6 O -","- Cl56 H8 K8 Mo24 O4 -","4","1","","Flemstroem, A.; Hirsch, T.K.; Eriksson, L.; Lidin, S.","The structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X = N H4, K, Rb, Cs","Solid State Sciences","2004","6","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529120","9.215","","14.941","","17.532","","90","","92.7","","90","","2411.15","","","","","","","","","","","","","5","I 1 a 1","I -2ya","9","","Rb2 ((Mo Cl)6 Cl8) (H2 O)","","- Cl14 H2 Mo6 O Rb2 -","- Cl14 H2 Mo6 O Rb2 -","- Cl56 H8 Mo24 O4 Rb8 -","4","1","","Flemstroem, A.; Lidin, S.; Hirsch, T.K.; Eriksson, L.","The structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X = N H4, K, Rb, Cs","Solid State Sciences","2004","6","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529121","9.771","","12.984","","21.535","","90","","90.81","","90","","2731.8","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cs2 ((Mo Cl)6 Cl8) (H2 O)3","","- Cl14 Cs2 H6 Mo6 O3 -","- Cl14 Cs2 H6 Mo6 O3 -","- Cl56 Cs8 H24 Mo24 O12 -","4","1","","Flemstroem, A.; Hirsch, T.K.; Lidin, S.; Eriksson, L.","The structures of X2 ((Mo6 Cl8) Cl6) * n(H2 O), X = N H4, K, Rb, Cs","Solid State Sciences","2004","6","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529122","11.182","","4.0348","","10.971","","90","","90","","90","","494.98","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd2 Se3 -","- Gd2 Se3 -","- Gd8 Se12 -","4","0.5","","Folchnandt, M.; Schneck, C.; Schleid, T.","Ueber Sesquiselenide der Lanthanoide: Einkristalle von Ce2 Se3 im C-, Gd2 Se3 im U- und Lu2 Se3 im Z-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","149","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529123","11.251","","7.9806","","23.877","","90","","90","","90","","2143.91","","","","","","","","","","","","","2","F d d d :2","-F 2uv 2vw","70","","","","- Lu2 Se3 -","- Lu1.996 Se3 -","- Lu31.936 Se48 -","16","0.5","","Folchnandt, M.; Schleid, T.; Schneck, C.","Ueber Sesquiselenide der Lanthanoide: Einkristalle von Ce2 Se3 im C-, Gd2 Se3 im U- und Lu2 Se3 im Z-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","149","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529125","2.8787","","2.8787","","14.22","","90","","90","","120","","102.052","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li0.992 Ni0.0072 Fe0.0008) ((Ni0.9 Fe0.1) O2)","","- Fe0.1008 Li0.992 Ni0.9072 O2 -","- Fe0.1008 Li0.992 Ni0.9072 O2 -","- Fe0.3024 Li2.976 Ni2.7216 O6 -","3","0.0833333","","Guo, X.; Greenbaum, S.; Scrosati, B.; Ronci, F.","X-ray diffraction and (7)Li nuclear magnetic resonance studies of iron- and cobalt-substituted Li Ni O2 prepared from inorganic transition metal nitrates","Solid State Ionics","2004","168","","37","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","152188","2020-10-21","18:00:00",""
"1529126","2.892","","2.892","","14.311","","90","","90","","120","","103.657","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li0.954 Ni0.0368 Fe0.0092) ((Ni0.8 Fe0.2) O2)","","- Fe0.2092 Li0.954 Ni0.8368 O2 -","- Fe0.2092 Li0.954 Ni0.8368 O2 -","- Fe0.6276 Li2.862 Ni2.5104 O6 -","3","0.0833333","","Guo, X.; Scrosati, B.; Ronci, F.; Greenbaum, S.","X-ray diffraction and (7)Li nuclear magnetic resonance studies of iron- and cobalt-substituted Li Ni O2 prepared from inorganic transition metal nitrates","Solid State Ionics","2004","168","","37","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","152189","2020-10-21","18:00:00",""
"1529127","2.8954","","2.8954","","14.329","","90","","90","","120","","104.031","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li0.951 Ni0.0343 Fe0.0147) ((Ni0.7 Fe0.3) O2)","","- Fe0.3147 Li0.951 Ni0.7343 O2 -","- Fe0.3147 Li0.951 Ni0.7343 O2 -","- Fe0.9441 Li2.853 Ni2.2029 O6 -","3","0.0833333","","Guo, X.; Greenbaum, S.; Ronci, F.; Scrosati, B.","X-ray diffraction and (7)Li nuclear magnetic resonance studies of iron- and cobalt-substituted Li Ni O2 prepared from inorganic transition metal nitrates","Solid State Ionics","2004","168","","37","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","152190","2020-10-21","18:00:00",""
"1529128","2.8708","","2.8708","","14.171","","90","","90","","120","","101.143","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li0.938 Ni0.0558 Co0.0062) ((Ni0.9 Co0.1) O2)","","- Co0.1062 Li0.938 Ni0.9558 O2 -","- Co0.1062 Li0.938 Ni0.9558 O2 -","- Co0.3186 Li2.814 Ni2.8674 O6 -","3","0.0833333","","Guo, X.; Greenbaum, S.; Scrosati, B.; Ronci, F.","X-ray diffraction and (7)Li nuclear magnetic resonance studies of iron- and cobalt-substituted Li Ni O2 prepared from inorganic transition metal nitrates","Solid State Ionics","2004","168","","37","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","152191","2020-10-21","18:00:00",""
"1529129","5.5523","","7.9716","","5.5741","","90","","90","","90","","246.714","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Mn O2.78)","","- La Mn O2.78 -","- La Mn O2.78 -","- La4 Mn4 O11.12 -","4","0.5","","Hansteen, O.H.; Breard, Y.; Fjellvag, H.; Hauback, B.C.","Divalent manganese in reduced La Mn O3-d - effect of oxygen nonstoichiometry on structural and magnetic properties","Solid State Sciences","2004","6","","279","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529130","7.628","","7.628","","15.338","","90","","90","","90","","892.463","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Sr0.685 Dy0.315) (Co O2.615)","","- Co Dy0.315 O2.615 Sr0.685 -","- Co Dy0.315 O2.615 Sr0.685 -","- Co16 Dy5.04 O41.84 Sr10.96 -","16","0.5","","Istomin, S.Ya.; Drozhzhin, O.A.; Svensson, G.; Antipov, E.V.","Synthesis and characterization of Sr1-x Lnx Co O3-d, Ln = Y, Sm - Tm, 0.1 < x < 0.5","Solid State Sciences","2004","6","","539","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529131","6.0956","","16.7269","","5.9635","","90","","90","","90","","608.041","","","","","","","","","","","","","3","I c m m","-I 2 2b","74","","Ba2 (In2 O5)","","- Ba2 In2 O5 -","- Ba2 In2 O5 -","- Ba8 In8 O20 -","4","0.25","","Jayaraman, V.; Caldes, M.; Magrez, A.; Joubert, O.; Ganne, M.; Piffard, Y.; Brohan, L.","Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1) compounds","Solid State Ionics","2004","170","","17","24","10.1016/S0167-2738(03)00300-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529132","6.0622","","16.812","","5.961","","90","","90","","90","","607.531","","","","","","","","","","","","","4","I c m m","-I 2 2b","74","","Ba2 ((In1.95 Ti0.05) O5.025)","","- Ba2 In1.95 O5.025 Ti0.05 -","- Ba2 In1.95 O5.02 Ti0.05 -","- Ba8 In7.8 O20.08 Ti0.2 -","4","0.25","","Jayaraman, V.; Magrez, A.; Caldes, M.; Joubert, O.; Brohan, L.; Ganne, M.; Piffard, Y.","Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1) compounds","Solid State Ionics","2004","170","","17","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529133","6.053","","16.8294","","5.9619","","90","","90","","90","","607.329","","","","","","","","","","","","","4","I c m m","-I 2 2b","74","","Ba2 ((In1.9 Ti0.1) O5.05)","","- Ba2 In1.9 O5.05 Ti0.1 -","- Ba2 In1.9 O5.06 Ti0.1 -","- Ba8 In7.6 O20.24 Ti0.4 -","4","0.25","","Jayaraman, V.; Magrez, A.; Ganne, M.; Caldes, M.; Joubert, O.; Piffard, Y.; Brohan, L.","Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1)compounds","Solid State Ionics","2004","170","","17","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529134","6.0387","","16.8248","","5.9593","","90","","90","","90","","605.464","","","","","","","","","","","","","4","I c m m","-I 2 2b","74","","Ba2 ((In1.85 Ti0.15) O5.075)","","- Ba2 In1.85 O5.075 Ti0.15 -","- Ba2 In1.85 O5.08 Ti0.15 -","- Ba8 In7.4 O20.32 Ti0.6 -","4","0.25","","Jayaraman, V.; Magrez, A.; Ganne, M.; Caldes, M.; Joubert, O.; Piffard, Y.; Brohan, L.","Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part I: the oxygen-deficient Ba2 In2-2x Ti2x O5+x vac1-x (0 < x < 1)compounds","Solid State Ionics","2004","170","","17","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529135","5.915","","5.915","","8.9989","","90","","90","","90","","314.847","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Ba2 (In2 O4 (O D)2)","","- Ba2 D2 In2 O6 -","- Ba2 D2 In2 O6 -","- Ba4 D4 In4 O12 -","2","0.125","","Jayaraman, V.; Magrez, A.; Caldes, M.; Brohan, L.; Joubert, O.; Piffard, Y.; Taulelle, F.; Rodriguez-Carvajal, J.","Characterization of perovskite systems derived from Ba2 In2 O5 vac. Part II: the proton compounds Ba2 In2-2x Ti2x O5+x O4+2x (O H)y (0 < x < 1; y < 2(1-x))","Solid State Ionics","2004","170","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529136","4.0411","","4.0411","","4.0411","","90","","90","","90","","65.993","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(La0.361 Ba0.690 Ca0.17) ((Cd0.114 Ti0.886) O3.096)","","- Ba0.69 Ca0.17 Cd0.114 La0.361 O3.096 Ti0.886 -","- Ba0.69 Ca0.166 Cd0.114 La0.361 O3.096 Ti0.886 -","- Ba0.69 Ca0.166 Cd0.114 La0.361 O3.096 Ti0.886 -","1","0.0208333","","Jha, P.; Ganguli, A.K.","Complex rare-earth titanates with the perovskite structure: Rietveld studies and dielectric properties","Solid State Sciences","2004","6","","663","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","152199","2020-10-21","18:00:00",""
"1529137","4.0119","","4.0119","","4.0119","","90","","90","","90","","64.573","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(La0.35 Ba0.37 Ca0.31) ((Cd0.025 Ti0.810) O2.775)","","- Ba0.37 Ca0.31 Cd0.025 La0.35 O2.775 Ti0.81 -","- Ba0.37 Ca0.31 Cd0.025 La0.35 O2.775 Ti0.81 -","- Ba0.37 Ca0.31 Cd0.025 La0.35 O2.775 Ti0.81 -","1","0.0208333","","Jha, P.; Ganguli, A.K.","Complex rare-earth titanates with the perovskite structure: Rietveld studies and dielectric properties","Solid State Sciences","2004","6","","663","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","152200","2020-10-21","18:00:00",""
"1529138","3.9875","","3.9875","","3.9875","","90","","90","","90","","63.402","","","","","","","","","","","","","7","P m -3 m","-P 4 2 3","221","","(La0.4 Ba0.4 Ca0.2) ((Cd0.072 Zn0.128 Ti0.57) O2.58)","","- Ba0.4 Ca0.2 Cd0.072 La0.4 O2.58 Ti0.57 Zn0.128 -","- Ba0.4 Ca0.2 Cd0.072 La0.4 O2.58 Ti0.572 Zn0.128 -","- Ba0.4 Ca0.2 Cd0.072 La0.4 O2.58 Ti0.572 Zn0.128 -","1","0.0208333","","Jha, P.; Ganguli, A.K.","Complex rare-earth titanates with the perovskite structure: Rietveld studies and dielectric properties","Solid State Sciences","2004","6","","663","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","152201","2020-10-21","18:00:00",""
"1529139","11.0525","","5.2261","","23.7049","","90","","90","","90","","1369.23","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","La (Al Si O5)","","- Al La O5 Si -","- Al0.993333 La O5 Si1.00667 -","- Al11.92 La12 O60 Si12.08 -","12","3","","Kahlenberg, V.; Krueger, H.","La Al Si O5 and apatite-type La9.71 (Si0.81 Al0.19 O4)6 O2 - the crystal structures of two synthetic lanthanum alumosilicates","Solid State Sciences","2004","6","","553","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529140","9.7532","","9.7532","","7.2371","","90","","90","","120","","596.197","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","La9.71 (Al0.19 Si0.81 O4)6 O2","","- Al1.14 La9.71 O26 Si4.86 -","- Al1.14 La9.72 O26 Si4.86 -","- Al1.14 La9.72 O26 Si4.86 -","1","0.0833333","","Kahlenberg, V.; Krueger, H.","La Al Si O5 and apatite-type La9.71 (Si0.81 Al0.19 O4)6 O2 - the crystal structures of two synthetic lanthanum alumosilicates","Solid State Sciences","2004","6","","553","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","152203","2020-10-21","18:00:00",""
"1529141","3.93849","","3.93849","","23.6901","","90","","90","","90","","367.474","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 (Fe2 O5 Cl2)","","- Cl2 Fe2 O5 Sr3 -","- Cl2 Fe2 O5 Sr3 -","- Cl4 Fe4 O10 Sr6 -","2","0.0625","","Knee, C.S.; Weller, M.T.; Field, M.A.L.","Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2","Solid State Sciences","2004","6","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","152204","2020-10-21","18:00:00",""
"1529142","3.95465","","3.95465","","25.4146","","90","","90","","90","","397.465","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 (Fe2 O5 Br2)","","- Br2 Fe2 O5 Sr3 -","- Br2 Fe2 O5 Sr3 -","- Br4 Fe4 O10 Sr6 -","2","0.0625","","Knee, C.S.; Field, M.A.L.; Weller, M.T.","Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2","Solid State Sciences","2004","6","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","152205","2020-10-21","18:00:00",""
"1529143","3.92946","","3.92946","","23.8766","","90","","90","","90","","368.67","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr3 ((Fe0.56 Co0.44)2 O5 Cl2)","","- Cl2 Co0.88 Fe1.12 O5 Sr3 -","- Cl2 Co0.88 Fe1.12 O5 Sr3 -","- Cl4 Co1.76 Fe2.24 O10 Sr6 -","2","0.0625","","Knee, C.S.; Field, M.A.L.; Weller, M.T.","Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2","Solid State Sciences","2004","6","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","152206","2020-10-21","18:00:00",""
"1529144","3.91932","","3.91932","","23.7782","","90","","90","","90","","365.259","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr3 ((Fe0.57 Co0.43)2 O5 Cl2)","","- Cl2 Co0.86 Fe1.14 O5 Sr3 -","- Cl2 Co0.86 Fe1.14 O5 Sr3 -","- Cl4 Co1.72 Fe2.28 O10 Sr6 -","2","0.0625","","Knee, C.S.; Field, M.A.L.; Weller, M.T.","Neutron diffraction study of the antiferromagnetic oxyhalides Sr3 Fe2 O5 Cl2, Sr3 Fe2 O5 Br and Sr3 Fe Co O5 Cl2","Solid State Sciences","2004","6","","443","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","152207","2020-10-21","18:00:00",""
"1529147","8.352","","8.352","","8.352","","90","","90","","90","","582.601","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.932 Ti0.068) ((Cr0.1 Li0.368 Ti1.532) O4)","","- Cr0.1 Li1.3 O4 Ti1.6 -","- Cr0.1 Li1.3 O4 Ti1.6 -","- Cr0.8 Li10.4 O32 Ti12.8 -","8","0.0416667","","Martin, P.; Lopez, M.L.; Veiga, M.L.; Pico, C.","Electronic and magnetic behaviour of Li1/2+x/2 Tix Cr5/2-3x/2 O4 spinels","Solid State Sciences","2004","6","","325","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","152210","2020-10-21","18:00:00",""
"1529148","7.7457","","7.7457","","6.0075","","90","","90","","120","","312.137","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Hg4 O F6","","- F6 Hg4 O -","- F6 Hg4 O -","- F12 Hg8 O2 -","2","0.166667","","Mueller, B.G.; Klein, W.; Jansen, M.","Hg4 O F6, das erste Quecksilberoxidfluorid","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1123","1125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529154","2.8477","","2.8477","","14.2282","","90","","90","","120","","99.924","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li ((Li0.2 Ni0.1 Co0.2 Mn0.5) O2)","","- Co0.2 Li1.2 Mn0.5 Ni0.1 O2 -","- Co0.2 Li1.2 Mn0.5 Ni0.1 O2 -","- Co0.6 Li3.6 Mn1.5 Ni0.3 O6 -","3","0.0833333","","Park, K.S.; Cho, M.H.; Jin, S.J.; Nahm, K.S.; Hong Young-Sik","Effect of Li ion in transition metal sites on electrochemical behaviour of layered lithium manganese oxides solid solutions","Solid State Ionics","2004","171","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","152217","2020-10-21","18:00:00",""
"1529155","2.8498","","2.8498","","14.2078","","90","","90","","120","","99.928","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li ((Ni0.25 Co0.5 Mn0.25) O2)","","- Co0.5 Li Mn0.25 Ni0.25 O2 -","- Co0.5 Li Mn0.25 Ni0.25 O2 -","- Co1.5 Li3 Mn0.75 Ni0.75 O6 -","3","0.0833333","","Park, K.S.; Cho, M.H.; Jin, S.J.; Nahm, K.S.; Hong Young-Sik","Effect of Li ion in transition metal sites on electrochemical behaviour of layered lithium manganese oxides solid solutions","Solid State Ionics","2004","171","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529156","4.93","","2.803","","11.14","","90","","98.05","","90","","152.424","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","(Sr2 Co O3) (Co O2)1.796","","- Co1.796 O3.592 -","- Co1.796 O3.592 -","- Co3.592 O7.184 -","2","0.25","","Pelloquin, D.; Hebert, S.; Raveau, B.; Maignan, A.","A new thermoelectric misfit cobaltite: (Sr2 Co O3) (Co O2)1.8","Solid State Sciences","2004","6","","167","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","152219","2020-10-21","18:00:00",""
"1529157","9.7825","","9.7825","","18.7843","","90","","90","","120","","1556.77","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Cs3.91 (S8 (Re Br)6)","","- Br6 Cs3.91 Re6 S8 -","- Br6 Cs3.912 Re6 S8 -","- Br12 Cs7.824 Re12 S16 -","2","0.166667","","Pilet, G.; Perrin, A.","New compounds in the cesium sulfobromide rhenium octahedral cluster chemistry: syntheses and crystal structures of Cs4 Re6 S8 Br6 and Cs2 Re6 S8 Br4","Solid State Sciences","2004","6","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","152220","2020-10-21","18:00:00",""
"1529158","6.3664","","18.4483","","9.3094","","90","","104.262","","90","","1059.68","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs2 (Re6 S8 Br4)","","- Br4 Cs2 Re6 S8 -","- Br4 Cs2 Re6 S8 -","- Br8 Cs4 Re12 S16 -","2","0.5","","Pilet, G.; Perrin, A.","New compounds in the cesium sulfobromide rhenium octahedral clusterchemistry: syntheses and crystal structures of Cs4 Re6 S8 Br6 and Cs2 Re6 S8 Br4","Solid State Sciences","2004","6","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529160","5.6108","","5.5915","","7.9032","","90","","89.99","","90","","247.945","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sr2 (Fe0.62 Sc0.25 Mo0.11) ((Mo0.87 Fe0.11) O5.96)","","- Fe0.73 Mo0.98 O5.96 Sc0.25 Sr2 -","- Fe0.73 Mo0.98 O5.958 Sc0.25 Sr2 -","- Fe1.46 Mo1.96 O11.916 Sc0.5 Sr4 -","2","0.5","","Ritter, C.; Blasco, J.; Garcia, J.; Serrate, D.; de Teresa, J.M.; Morellon, L.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529161","5.5606","","5.5606","","7.901","","90","","90","","90","","244.301","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr2 (Fe0.45 Ti0.19 Mo0.34) ((Mo0.64 Fe0.29 Ti0.06) O6)","","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe1.48 Mo1.96 O12 Sr4 Ti0.5 -","2","0.125","","Ritter, C.; Blasco, J.; Ibarra, M.R.; de Teresa, J.M.; Morellon, L.; Garcia, J.; Serrate, D.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152224","2020-10-21","18:00:00",""
"1529162","7.91881","","7.91881","","7.91881","","90","","90","","90","","496.569","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Sr2 (Fe0.45 Ti0.19 Mo0.34) ((Mo0.64 Fe0.29 Ti0.06) O6)","","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe0.74 Mo0.98 O6 Sr2 Ti0.25 -","- Fe2.96 Mo3.92 O24 Sr8 Ti -","4","0.0208333","","Ritter, C.; Blasco, J.; de Teresa, J.M.; Garcia, J.; Morellon, L.; Serrate, D.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152225","2020-10-21","18:00:00",""
"1529163","5.5541","","5.5541","","7.8743","","90","","90","","90","","242.907","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr2 (Fe0.56 V0.14 Mo0.30) ((Mo0.70 Fe0.19 V0.11) O6)","","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe1.5 Mo2 O12 Sr4 V0.5 -","2","0.125","","Ritter, C.; Ibarra, M.R.; de Teresa, J.M.; Blasco, J.; Morellon, L.; Garcia, J.; Serrate, D.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529164","7.9101","","7.9101","","7.9101","","90","","90","","90","","494.932","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Sr2 (Fe0.56 V0.14 Mo0.30) ((Mo0.70 Fe0.19 V0.11) O6)","","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe0.75 Mo O6 Sr2 V0.25 -","- Fe3 Mo4 O24 Sr8 V -","4","0.0208333","","Ritter, C.; Morellon, L.; Blasco, J.; Serrate, D.; de Teresa, J.M.; Garcia, J.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529165","5.5552","","5.5552","","7.8767","","90","","90","","90","","243.077","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr2 (Fe0.69 Cr0.09 Mo0.22) ((Mo0.78 Fe0.06 Cr0.16) O5.9)","","- Cr0.25 Fe0.75 Mo O5.9 Sr2 -","- Cr0.25 Fe0.75 Mo O5.898 Sr2 -","- Cr0.5 Fe1.5 Mo2 O11.796 Sr4 -","2","0.125","","Ritter, C.; Serrate, D.; Blasco, J.; de Teresa, J.M.; Garcia, J.; Morellon, L.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529166","5.5911","","5.578","","7.8749","","90","","89.9","","90","","245.595","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sr2 (Fe0.60 Mn0.25 Mo0.15) ((Mo0.85 Fe0.15) O6)","","- Fe0.75 Mn0.25 Mo O6 Sr2 -","- Fe0.75 Mn0.25 Mo O6 Sr2 -","- Fe1.5 Mn0.5 Mo2 O12 Sr4 -","2","0.5","","Ritter, C.; Blasco, J.; Morellon, L.; de Teresa, J.M.; Serrate, D.; Ibarra, M.R.; Garcia, J.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529167","5.5679","","5.5679","","7.9218","","90","","90","","90","","245.588","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 (Fe0.94 Mo0.05) ((Mo0.94 Fe0.05) O6)","","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe1.98 Mo1.98 O12 Sr4 -","2","0.125","","Ritter, C.; Blasco, J.; de Teresa, J.M.; Ibarra, M.R.; Serrate, D.; Garcia, J.; Morellon, L.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152230","2020-10-21","18:00:00",""
"1529168","7.9263","","7.9263","","7.9263","","90","","90","","90","","497.98","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 (Fe0.94 Mo0.05) ((Mo0.94 Fe0.05) O6)","","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe0.99 Mo0.99 O6 Sr2 -","- Fe3.96 Mo3.96 O24 Sr8 -","4","0.0208333","","Ritter, C.; Blasco, J.; de Teresa, J.M.; Serrate, D.; Morellon, L.; Ibarra, M.R.; Garcia, J.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","152231","2020-10-21","18:00:00",""
"1529169","5.5538","","5.5538","","7.9076","","90","","90","","90","","243.908","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Sr1.91 (Fe0.75 Co0.18 Mo0.07) ((Mo0.93 Co0.07) O5.68)","","- Co0.25 Fe0.75 Mo O5.68 Sr1.91 -","- Co0.25 Fe0.75 Mo O5.682 Sr1.91 -","- Co0.5 Fe1.5 Mo2 O11.364 Sr3.82 -","2","0.125","","Ritter, C.; Serrate, D.; Blasco, J.; Morellon, L.; de Teresa, J.M.; Garcia, J.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529170","7.9084","","7.9084","","7.9084","","90","","90","","90","","494.613","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Sr1.91 (Fe0.75 Co0.18 Mo0.07) ((Mo0.93 Co0.07) O5.68)","","- Co0.25 Fe0.75 Mo O5.68 Sr1.91 -","- Co0.25 Fe0.75 Mo O5.682 Sr1.91 -","- Co Fe3 Mo4 O22.728 Sr7.64 -","4","0.0208333","","Ritter, C.; Blasco, J.; de Teresa, J.M.; Morellon, L.; Serrate, D.; Garcia, J.; Ibarra, M.R.","Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6","Solid State Sciences","2004","6","","419","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529172","3.8005","","3.8005","","12.521","","90","","90","","90","","180.851","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La0.8 Sr1.2) (Co O4)","","- Co La0.8 O4 Sr1.2 -","- Co La0.8 O4 Sr1.2 -","- Co2 La1.6 O8 Sr2.4 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529173","3.7727","","3.7727","","12.381","","90","","90","","90","","176.222","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Nd0.8 Sr1.2) (Co O4)","","- Co Nd0.8 O4 Sr1.2 -","- Co Nd0.8 O4 Sr1.2 -","- Co2 Nd1.6 O8 Sr2.4 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529174","3.7481","","3.7481","","12.16","","90","","90","","90","","170.827","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Gd Sr) (Co O4)","","- Co Gd O4 Sr -","- Co Gd O4 Sr -","- Co2 Gd2 O8 Sr2 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529175","3.749","","3.749","","12.23","","90","","90","","90","","171.893","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Gd0.9 Sr1.1) (Co O4)","","- Co Gd0.9 O4 Sr1.1 -","- Co Gd0.9 O4 Sr1.1 -","- Co2 Gd1.8 O8 Sr2.2 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529176","3.7502","","3.7502","","12.27","","90","","90","","90","","172.565","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Gd0.8 Sr1.2) (Co O4)","","- Co Gd0.8 O4 Sr1.2 -","- Co Gd0.8 O4 Sr1.2 -","- Co2 Gd1.6 O8 Sr2.4 -","2","0.0625","","Sanchez-Andujar, M.; Senaris Rodriguez, M.A.","Synthesis, structure and microstructure of the layered compounds Ln1-x Sr1+x Co O4 (Ln: La, Nd and Gd)","Solid State Sciences","2004","6","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529178","9.5477","","9.904","","10.1919","","90","","90","","90","","963.75","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Na9 (Co2 O7)","","- Co2 Na9 O7 -","- Co2 Na9 O7 -","- Co8 Na36 O28 -","4","1","","Sofin, M.; Jansen, M.; Peters, E.M.","Synthesis, structure and magnetic properties of Na9 Co2 O7, a new mixed-valent sodium cobaltate(II, III)","Solid State Sciences","2004","6","","339","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","152241","2020-10-21","18:00:00",""
"1529179","5.45967","","5.45967","","12.042","","90","","90","","90","","358.948","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Pb1.02 (W O4) O0.13","","- O4.13 Pb1.02 W -","- O4.128 Pb1.016 W -","- O16.512 Pb4.064 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Torii, S.; Esaka, T.; Oikawa, K.; Hoshikawa, A.; Kamiyama, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529180","5.45653","","5.45653","","12.07705","","90","","90","","90","","359.579","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.84 La0.1) (W O3.89)","","- La0.1 O3.89 Pb0.84 W -","- La0.093 O3.888 Pb0.836 W -","- La0.372 O15.552 Pb3.344 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Oikawa, K.; Torii, S.; Hoshikawa, A.; Kamiyama, T.; Esaka, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529181","5.44498","","5.44498","","12.04787","","90","","90","","90","","357.193","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.88 La0.10) (W O3.96)","","- La0.1 O3.96 Pb0.88 W -","- La0.098 O3.9624 Pb0.879 W -","- La0.392 O15.8496 Pb3.516 W4 -","4","0.25","","Takai, S.; Hoshikawa, A.; Oikawa, K.; Nakanishi, T.; Torii, S.; Kamiyama, T.; Esaka, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529182","5.44097","","5.44097","","12.0661","","90","","90","","90","","357.207","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.62 La0.155) (W O3.74)","","- La0.155 O3.74 Pb0.62 W -","- La0.155 O3.736 Pb0.621 W -","- La0.62 O14.944 Pb2.484 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Esaka, T.; Oikawa, K.; Torii, S.; Hoshikawa, A.; Kamiyama, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529183","5.4328","","5.4328","","12.04757","","90","","90","","90","","355.588","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.77 La0.19) (W O3.98)","","- La0.19 O3.98 Pb0.77 W -","- La0.192 O3.984 Pb0.769 W -","- La0.768 O15.936 Pb3.076 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Oikawa, K.; Hoshikawa, A.; Torii, S.; Kamiyama, T.; Esaka, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529184","5.45668","","5.45668","","12.06182","","90","","90","","90","","359.145","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.94 La0.067) (W O4) O0.18","","- La0.067 O4.18 Pb0.94 W -","- La0.07 O4.176 Pb0.944 W -","- La0.28 O16.704 Pb3.776 W4 -","4","0.25","","Takai, S.; Torii, S.; Nakanishi, T.; Oikawa, K.; Esaka, T.; Hoshikawa, A.; Kamiyama, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529185","5.45071","","5.45071","","12.06411","","90","","90","","90","","358.428","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.83 La0.14) (W O4)","","- La0.14 O4 Pb0.83 W -","- La0.138 O4.008 Pb0.828 W -","- La0.552 O16.032 Pb3.312 W4 -","4","0.25","","Takai, S.; Hoshikawa, A.; Nakanishi, T.; Esaka, T.; Oikawa, K.; Kamiyama, T.; Torii, S.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529186","5.43905","","5.43905","","12.0381","","90","","90","","90","","356.126","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.63 La0.18) (W O3.92)","","- La0.18 O3.92 Pb0.63 W -","- La0.18 O3.92 Pb0.629 W -","- La0.72 O15.68 Pb2.516 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Oikawa, K.; Kamiyama, T.; Torii, S.; Hoshikawa, A.; Esaka, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529187","5.42907","","5.42907","","12.0255","","90","","90","","90","","354.449","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.51 La0.23) (W O3.77)","","- La0.23 O3.77 Pb0.51 W -","- La0.227 O3.772 Pb0.51 W -","- La0.908 O15.088 Pb2.04 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Esaka, T.; Torii, S.; Hoshikawa, A.; Oikawa, K.; Kamiyama, T.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529188","5.42338","","5.42338","","12.005","","90","","90","","90","","353.104","","","","","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","(Pb0.39 La0.26) (W O3.82)","","- La0.26 O3.82 Pb0.39 W -","- La0.261 O3.816 Pb0.391 W -","- La1.044 O15.264 Pb1.564 W4 -","4","0.25","","Takai, S.; Nakanishi, T.; Esaka, T.; Oikawa, K.; Hoshikawa, A.; Kamiyama, T.; Torii, S.","Neutron diffraction and IR spectroscopy on mechanically alloyed La-substituted Pb W O4","Solid State Ionics","2004","170","","297","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529190","4.2718","","4.2718","","9.9078","","90","","90","","120","","156.578","","","","","","","","","","","","","3","P -3","-P 3","147","","K (Sn2 F5)","","- F5 K Sn2 -","- F5 K Sn2 -","- F5 K Sn2 -","1","0.166667","","Yamada, K.; Ahmad, M.M.; Fuess, H.; Okuda, T.; Ohki, H.; Ehrenberg, H.","Structural phase transition of the two-dimensional fluoride ion conductor K Sn2 F5 studied by X-ray diffraction","Solid State Ionics","2004","167","","301","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529191","7.266","","7.266","","9.796","","90","","90","","120","","447.889","","","","","","","","","","","","","3","P -3","-P 3","147","","K (Sn2 F5)","","- F5 K Sn2 -","- F5.00267 K Sn2 -","- F15.008 K3 Sn6 -","3","0.5","","Yamada, K.; Ohki, H.; Ahmad, M.M.; Fuess, H.; Okuda, T.; Ehrenberg, H.","Structural phase transition of the two-dimensional fluoride ion conductor K Sn2 F5 studied by X-ray diffraction","Solid State Ionics","2004","167","","301","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529192","3.99372","","7.8428","","20.1609","","90","","90","","90","","631.479","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Ba Sr (Ta2 O7)","","- Ba O7 Sr Ta2 -","- Ba O7 Sr Ta2 -","- Ba4 O28 Sr4 Ta8 -","4","0.25","","le Berre, F.; Crosnier-Lopez, M.P.; Fourquet, J.L.","Cationic ordering in the new layerd perovskite Ba Sr Ta2 O7","Solid State Sciences","2004","6","","53","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529384","7.272","0.001","8.643","0.001","10.427","0.001","90","","93.2","0.01","90","","654.33","0.13","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C H N8 O2 -","- C H8 N8 O2 -","- C4 H32 N32 O8 -","4","1","","A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; A.M. Sirotinin; L.A. Kruglyakova; R.S. Stepanov","Crystal and Molecular Structure of Nitramino Derivatives of Tetrazole and 1,2,4-Triazole. II. 5-Nitraminotetrazole Diammonium Salt","Journal of Structural Chemistry","2004","45","1","175","180","10.1023/B:JORY.0000041520.90323.fe","","","1.5406","","","0.0456","0.0379","","","0.1006","0.1066","","","","","","1.032","","","","has coordinates,has Fobs","153314","2020-10-21","18:00:00",""
"1529385","8.3789","0.0005","10.1872","0.0006","6.6709","0.0005","90","","106.629","0.006","90","","545.6","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H3 Li N6 O3 -","- C H3 Li N6 O3 -","- C4 H12 Li4 N24 O12 -","4","1","","A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; A.M. Sirotinin; R.S. Stepanov","Crystal and molecular structure of the nitramino derivatives of tetrazole and 1,2,4-triazole. III. 5-nitraminotetrazole lithium salt monohydrate","Journal of Structural Chemistry","2004","45","2","360","364","10.1023/B:JORY.0000048894.84780.cd","","","1.54056","","","0.0324","0.0296","","","0.0796","0.0814","","","","","","1.038","","","","has coordinates,has Fobs","153315","2020-10-21","18:00:00",""
"1529386","11.116","0.001","18.075","0.002","6.559","0.0007","90","","90","","90","","1317.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N5 O4 -","- C2 H6 N5 O4 -","- C16 H48 N40 O32 -","8","1","","A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; R.S. Stepanov","Crystal and molecular structure of 1-methyl-1,2-dinitroguanidine","Journal of Structural Chemistry","2004","45","3","532","536","10.1007/s10947-005-0025-6","","","1.5406","","","0.0726","0.0502","","","0.1401","0.1556","","","","","","0.986","","","","has coordinates,has Fobs","153316","2020-10-21","18:00:00",""
"1529387","3.551","0.001","21.834","0.004","9.075","0.002","90","","110.68","0.03","90","","658.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 F N4 O2 -","- C2 H4 F N6 O3 -","- C8 H16 F4 N24 O12 -","4","1","","A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; L.A. Kruglyakova; A.M. Sirotinin; R.S. Stepanov","Crystal and molecular structure of nitraminotetrazole and nitramino-1,2,4-triazole. IV. 5-nitraminotetrazole sodium salt sesquihydrate","Journal of Structural Chemistry","2004","45","3","537","540","10.1007/s10947-005-0026-5","","","1.5406","","","0.0634","0.0618","","","0.1767","0.179","","","","","","0.847","","","","has coordinates,has Fobs","153317","2020-10-21","18:00:00",""
"1529388","8.5528","0.0007","18.049","0.002","8.8422","0.0007","90","","90","","90","","1365","0.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3 H6 N2 O5 Pb0.5 -","- C3 H7 N2 O5 Pb0.5 -","- C24 H56 N16 O40 Pb4 -","8","1","","N.N. Golovnev; A.D. Vasiliev; M.S. Molokeev; G.V. Novikova; M.V. Sergeeva","The synthesis of complex compounds of metals with b-alanine","Vestnik KrasSU","2004","2","0","14","19","","","","0.70926","","","0.0967","0.0425","","","0.1215","0.1345","","","","","","1.028","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1532524","5.5171","","5.5444","","7.8109","","90","","90","","90","","238.928","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Ca0.333 La0.667) ((Zn0.333 Ti0.667) O3)","","- Ca0.333 La0.667 O3 Ti0.667 Zn0.333 -","- Ca0.333 La0.667 O3 Ti0.667 Zn0.333 -","- Ca1.332 La2.668 O12 Ti2.668 Zn1.332 -","4","0.5","","Aatiq, A.; Boukhari, A.","Synthesis and structural study of the new perovskite series Ca Ln2 Zn Ti2 O9 ( = (Ca1/3 Ln2/3)A (Zn1/3 Ti2/3)B O3) (Ln = La, Pr, Nd, Eu)","Materials Letters","2004","58","","2406","2411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532526","5.958","","5.958","","5.958","","90","","90","","90","","211.496","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Ti0.95 Sc0.05) Ni Sn","","- Ni Sc0.05 Sn Ti0.95 -","- Ni Sc0.05 Sn Ti0.95 -","- Ni4 Sc0.2 Sn4 Ti3.8 -","4","0.0416667","","Horyn, A.; Bodak, O.; Romaka, L.; Gorelenko, Yu.; Tkachuk, A.; Davydov, V.; Stadnyk, Yu.","Crystal structure and physical properties of (Ti, Sc) Ni Sn and (Zr, Sc) Ni Sn solid solutions","Journal of Alloys Compd.","2004","363","","10","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532527","5.4524","","5.5807","","7.7559","","90","","90","","90","","235.998","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Ca0.333 Pr0.667) ((Zn0.333 Ti0.667) O3)","","- Ca0.333 O3 Pr0.667 Ti0.667 Zn0.333 -","- Ca0.333 O3 Pr0.667 Ti0.667 Zn0.333 -","- Ca1.332 O12 Pr2.668 Ti2.668 Zn1.332 -","4","0.5","","Aatiq, A.; Boukhari, A.","Synthesis and structural study of the new perovskite series Ca Ln2 Zn Ti2 O9 ( = (Ca1/3 Ln2/3)A (Zn1/3 Ti2/3)B O3) (Ln = La, Pr, Nd, Eu)","Materials Letters","2004","58","","2406","2411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532529","5.993","","5.993","","5.993","","90","","90","","90","","215.245","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Ti0.8 Sc0.2) Ni Sn","","- Ni Sc0.2 Sn Ti0.8 -","- Ni Sc0.2 Sn Ti0.8 -","- Ni4 Sc0.8 Sn4 Ti3.2 -","4","0.0416667","","Horyn, A.; Bodak, O.; Davydov, V.; Gorelenko, Yu.; Romaka, L.; Tkachuk, A.; Stadnyk, Yu.","Crystal structure and physical properties of (Ti, Sc) Ni Sn and (Zr, Sc) Ni Sn solid solutions","Journal of Alloys Compd.","2004","363","","10","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532530","5.4498","","5.5675","","7.7496","","90","","90","","90","","235.137","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Ca0.333 Nd0.667) ((Zn0.333 Ti0.667) O3)","","- Ca0.333 Nd0.667 O3 Ti0.667 Zn0.333 -","- Ca0.333 Nd0.667 O3 Ti0.667 Zn0.333 -","- Ca1.332 Nd2.668 O12 Ti2.668 Zn1.332 -","4","0.5","","Aatiq, A.; Boukhari, A.","Synthesis and structural study of the new perovskite series Ca Ln2 Zn Ti2 O9 ( = (Ca1/3 Ln2/3)A (Zn1/3 Ti2/3)B O3) (Ln = La, Pr, Nd, Eu)","Materials Letters","2004","58","","2406","2411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532532","6.109","","6.109","","6.109","","90","","90","","90","","227.987","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Ti0.4 Sc0.6) Ni Sn","","- Ni Sc0.6 Sn Ti0.4 -","- Ni Sc0.6 Sn Ti0.4 -","- Ni4 Sc2.4 Sn4 Ti1.6 -","4","0.0416667","","Horyn, A.; Bodak, O.; Stadnyk, Yu.; Romaka, L.; Gorelenko, Yu.; Davydov, V.; Tkachuk, A.","Crystal structure and physical properties of (Ti, Sc) Ni Sn and (Zr, Sc) Ni Sn solid solutions","Journal of Alloys Compd.","2004","363","","10","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532533","5.3933","","5.5806","","7.6917","","90","","90","","90","","231.504","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Ca0.333 Eu0.667) ((Zn0.333 Ti0.667) O3)","","- Ca0.333 Eu0.667 O3 Ti0.667 Zn0.333 -","- Ca0.333 Eu0.667 O3 Ti0.667 Zn0.333 -","- Ca1.332 Eu2.668 O12 Ti2.668 Zn1.332 -","4","0.5","","Aatiq, A.; Boukhari, A.","Synthesis and structural study of the new perovskite series Ca Ln2 Zn Ti2 O9 ( = (Ca1/3 Ln2/3)A (Zn1/3 Ti2/3)B O3) (Ln = La, Pr, Nd, Eu)","Materials Letters","2004","58","","2406","2411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532535","6.102","","6.102","","6.102","","90","","90","","90","","227.204","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Zr0.92 Sc0.08) Ni Sn","","- Ni Sc0.08 Sn Zr0.92 -","- Ni Sc0.08 Sn Zr0.92 -","- Ni4 Sc0.32 Sn4 Zr3.68 -","4","0.0416667","","Horyn, A.; Bodak, O.; Romaka, L.; Gorelenko, Yu.; Tkachuk, A.; Davydov, V.; Stadnyk, Yu.","Crystal structure and physical properties of (Ti, Sc) Ni Sn and (Zr, Sc) Ni Sn solid solutions","Journal of Alloys Compd.","2004","363","","10","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532538","6.142","","6.142","","6.142","","90","","90","","90","","231.702","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Zr0.3 Sc0.7) Ni Sn","","- Ni Sc0.7 Sn Zr0.3 -","- Ni Sc0.7 Sn Zr0.3 -","- Ni4 Sc2.8 Sn4 Zr1.2 -","4","0.0416667","","Horyn, A.; Bodak, O.; Romaka, L.; Stadnyk, Yu.; Gorelenko, Yu.; Tkachuk, A.; Davydov, V.","Crystal structure and physical properties of (Ti, Sc) Ni Sn and (Zr, Sc) Ni Sn solid solutions","Journal of Alloys Compd.","2004","363","","10","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532539","9.06282","","11.4825","","10.94024","","90","","90","","90","","1138.48","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Pb5 (Sb2 Mn O11)","","- Mn O11 Pb5 Sb2 -","- Mn O11 Pb5 Sb2 -","- Mn4 O44 Pb20 Sb8 -","4","0.25","","Abakumov, A.M.; Rozova, M.G.; Chizhov, P.S.; van Tendeloo, G.; Antipov, E.V.; Hadermann, J.","Synthesis and crystal structure of the novel Pb5 Sb2 Mn O11 compound","Journal of Solid State Chemistry","2004","177","","2855","2861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532577","4.0304","","12.795","","9.2883","","90","","90","","90","","478.988","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Th (Mn Se3)","","- Mn Se3 Th -","- Mn Se3 Th -","- Mn4 Se12 Th4 -","4","0.25","","Ijjaali, I.; Mitchell, K.; Huang Fuqiang; Ibers, J.A.","Syntheses and characterization of the actinide manganese selenides Th Mn Se3 and U Mn Se3","Journal of Solid State Chemistry","2004","177","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532578","3.931","","12.705","","9.148","","90","","90","","90","","456.882","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","U (Mn Se3)","","- Mn Se3 U -","- Mn Se3 U -","- Mn4 Se12 U4 -","4","0.25","","Ijjaali, I.; Mitchell, K.; Huang Fuqiang; Ibers, J.A.","Syntheses and characterization of the actinide manganese selenides Th Mn Se3 and U Mn Se3","Journal of Solid State Chemistry","2004","177","","257","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532579","6.8142","","7.5817","","7.2052","","90","","97.573","","90","","368.997","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","La Cu Se2","","- Cu La Se2 -","- Cu La Se2 -","- Cu4 La4 Se8 -","4","1","","Ijjaali, I.; Mitchell, K.; Ibers, J.A.","Preparation and structure of the light rare-earth copper selenides Ln Cu Se2 (Ln = La, Ce, Pr, Nd, Sm)","Journal of Solid State Chemistry","2004","177","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532580","6.763","","7.5311","","7.165","","90","","97.392","","90","","361.901","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ce Cu Se2 -","- Ce Cu Se2 -","- Ce4 Cu4 Se8 -","4","1","","Ijjaali, I.; Mitchell, K.; Ibers, J.A.","Preparation and structure of the light rare-earth copper selenides Ln Cu Se2 (Ln = La, Ce, Pr, Nd, Sm)","Journal of Solid State Chemistry","2004","177","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532581","6.74","","7.481","","7.141","","90","","97.374","","90","","357.085","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pr Cu Se2","","- Cu Pr Se2 -","- Cu Pr Se2 -","- Cu4 Pr4 Se8 -","4","1","","Ijjaali, I.; Mitchell, K.; Ibers, J.A.","Preparation and structure of the light rare-earth copper selenides Ln Cu Se2 (Ln = La, Ce, Pr, Nd, Sm)","Journal of Solid State Chemistry","2004","177","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532582","6.7149","","7.4452","","7.1192","","90","","97.31","","90","","353.023","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Nd Cu Se2","","- Cu Nd Se2 -","- Cu Nd Se2 -","- Cu4 Nd4 Se8 -","4","1","","Ijjaali, I.; Mitchell, K.; Ibers, J.A.","Preparation and structure of the light rare-earth copper selenides Ln Cu Se2 (Ln = La, Ce, Pr, Nd, Sm)","Journal of Solid State Chemistry","2004","177","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532583","6.6655","","7.3825","","7.0724","","90","","97.115","","90","","345.339","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sm Cu Se2","","- Cu Se2 Sm -","- Cu Se2 Sm -","- Cu4 Se8 Sm4 -","4","1","","Ijjaali, I.; Mitchell, K.; Ibers, J.A.","Preparation and structure of the light rare-earth copper selenides Ln Cu Se2 (Ln = La, Ce, Pr, Nd, Sm)","Journal of Solid State Chemistry","2004","177","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532594","10.45097","","10.45097","","10.45097","","90","","90","","90","","1141.48","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Bi2 ((Cr Ta) O6) O","","- Bi2 Cr O7 Ta -","- Bi2.0004 Cr O7 Ta -","- Bi16.0032 Cr8 O56 Ta8 -","8","0.0416667","","Ismunandar; Kamiyama, T.; Oikawa, K.; Kato, K.; Kubota, Y.; Hoshikawa, A.; Kennedy, B.J.","Static bismuth disorder in Bi2-x (Cr Ta) O7-y","Materials Research Bulletin","2004","39","","553","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532596","5.85321","","5.85321","","14.4454","","90","","90","","120","","428.596","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Co (Sb2 O9)","","- Ba3 Co O9 Sb2 -","- Ba3 Co O9 Sb2 -","- Ba6 Co2 O18 Sb4 -","2","0.0833333","","Istomin, S.Ya.; Koutcenko, V.A.; Antipov, E.V.; Lindberg, F.; Svensson, G.","Synthesis and characterizationn of novel 6-H perovskites Ba2 Co2-x Sbx O6-y, 0.6< x< 0.8 and x= 1.33 (Ba3 Co Sb2 O9)","Materials Research Bulletin","2004","39","","1013","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532597","5.7315","","5.7315","","14.1118","","90","","90","","120","","401.467","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba2 ((Co1.38 Sb0.62) O5.4)","","- Ba2 Co1.38 O5.4 Sb0.62 -","- Ba2 Co1.38267 O5.396 Sb0.617333 -","- Ba6 Co4.148 O16.188 Sb1.852 -","3","0.125","","Istomin, S.Ya.; Koutcenko, V.A.; Lindberg, F.; Antipov, E.V.; Svensson, G.","Synthesis and characterizationn of novel 6-H perovskites Ba2 Co2-x Sbx O6-y, 0.6< x< 0.8 and x= 1.33 (Ba3 Co Sb2 O9)","Materials Research Bulletin","2004","39","","1013","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","158535","2020-10-21","18:00:00",""
"1532598","5.7939","","5.7939","","14.1979","","90","","90","","120","","412.759","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 (Fe2 W O9)","","- Ba3 Fe2 O9 W -","- Ba3 Fe2 O9 W -","- Ba6 Fe4 O18 W2 -","2","0.0833333","","Ivanov, S.A.; Eriksson, S.G.; Erikssen, J.; Tellgren, R.; Rundlof, H.","Nuclear and magnetic structure of Ba3 Fe2 W O9","Materials Research Bulletin","2004","39","","615","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532599","7.123","","4.162","","8.18","","90","","90","","90","","242.504","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gd Mn Ge","","- Gd Ge Mn -","- Gd Ge Mn -","- Gd4 Ge4 Mn4 -","4","0.5","","Ivanova, T.I.; Nikitin, S.A.; Morozkin, A.V.; Warchulska, J.; Ovchenkova, I.A.; Bogdanov, A.E.; Suski, W.; Gilewski, A.","A magnetic study of (TiNiSi)-type Gd Mn1-x Tix Ge alloys","Journal of Alloys Compd.","2004","365","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532600","7.133","","4.156","","8.197","","90","","90","","90","","242.998","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Gd (Mn0.95 Ti0.05) Ge","","- Gd Ge Mn0.95 Ti0.05 -","- Gd Ge Mn0.95 Ti0.05 -","- Gd4 Ge4 Mn3.8 Ti0.2 -","4","0.5","","Ivanova, T.I.; Nikitin, S.A.; Morozkin, A.V.; Gilewski, A.; Suski, W.; Bogdanov, A.E.; Ovchenkova, I.A.; Warchulska, J.","A magnetic study of (Ti Ni Si)-type Gd Mn1-x Tix Ge alloys","Journal of Alloys Compd.","2004","365","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532601","7.137","","4.151","","8.205","","90","","90","","90","","243.079","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Gd (Mn0.9 Ti0.1) Ge","","- Gd Ge Mn0.9 Ti0.1 -","- Gd Ge Mn0.9 Ti0.1 -","- Gd4 Ge4 Mn3.6 Ti0.4 -","4","0.5","","Ivanova, T.I.; Nikitin, S.A.; Suski, W.; Warchulska, J.; Ovchenkova, I.A.; Morozkin, A.V.; Bogdanov, A.E.; Gilewski, A.","A magnetic study of (Ti Ni Si)-type Gd Mn1-x Tix Ge alloys","Journal of Alloys Compd.","2004","365","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532602","7.145","","4.142","","8.229","","90","","90","","90","","243.534","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Gd (Mn0.8 Ti0.2) Ge","","- Gd Ge Mn0.8 Ti0.2 -","- Gd Ge Mn0.8 Ti0.2 -","- Gd4 Ge4 Mn3.2 Ti0.8 -","4","0.5","","Ivanova, T.I.; Nikitin, S.A.; Morozkin, A.V.; Suski, W.; Ovchenkova, I.A.; Gilewski, A.; Bogdanov, A.E.; Warchulska, J.","A magnetic study of (Ti Ni Si)-type Gd Mn1-x Tix Ge alloys","Journal of Alloys Compd.","2004","365","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532615","8.017","","8.017","","9.455","","90","","90","","120","","526.279","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li3 (Al H6)","","- Al H6 Li3 -","- Al H6 Li3 -","- Al6 H36 Li18 -","6","0.333333","","Chung Saicheong; Morioka, H.","Thermochemistry and crystal structures of lithium, sodium and potassium alanates as determined by ab initio simulations","Journal of Alloys Compd.","2004","372","","92","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532616","7.387","","8.823","","5.859","","90","","90","","90","","381.863","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","K (Al H4)","","- Al H4 K -","- Al H4 K -","- Al4 H16 K4 -","4","0.5","","Chung Saicheong; Morioka, H.","Thermochemistry and crystal structures of lithium, sodium and potassium alanates as determined by ab initio simulations","Journal of Alloys Compd.","2004","372","","92","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532625","7.6354","","16.125","","5.0008","","90","","90","","90","","615.703","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Zr2 Cr4 Si5","","- Cr4 Si5 Zr2 -","- Cr4 Si5 Zr2 -","- Cr16 Si20 Zr8 -","4","0.25","","Crerar, S.J.; Mar, A.","Ternary silicides M2 Cr4 Si5 (M= Ti, Zr, Hf): filled variants of the Ta4 Si Te4 structure type","Journal of Solid State Chemistry","2004","177","","2523","2529","","","","","","","","","","","","","","","","","","","","","","has coordinates","158574","2020-10-21","18:00:00",""
"1532634","10.5765","","10.5765","","10.5765","","90","","90","","90","","1183.11","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Sn0.58 Pb1.16 ((Nb1.82 Sn0.18) O6.66)","","- Nb1.82 O6.66 Pb1.16 Sn0.76 -","- Nb1.82 O6.66 Pb1.16 Sn0.756 -","- Nb14.56 O53.28 Pb9.28 Sn6.048 -","8","0.0416667","","Cruz, L.P.; Savariault, J.M.; Pedrosa de Jesus, J.D.; Morais, C.M.; Fernandez, C.; Rocha, J.","Non-stoichiometric mixed lead and tin niobates","Journal of Solid State Chemistry","2004","177","","1549","1558","","","","","","","","","","","","","","","","","","","","","","has coordinates","158586","2020-10-21","18:00:00",""
"1532636","10.5762","","10.5762","","10.5762","","90","","90","","90","","1183.01","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Sn0.58 Pb1.03 ((Nb1.82 Sn0.18) O6.53)","","- Nb1.82 O6.53 Pb1.03 Sn0.76 -","- Nb1.82 O6.53 Pb1.03 Sn0.756 -","- Nb14.56 O52.24 Pb8.24 Sn6.048 -","8","0.0416667","","Cruz, L.P.; Savariault, J.M.; Morais, C.M.; Rocha, J.; Pedrosa de Jesus, J.D.; Fernandez, C.","Non-stoichiometric mixed lead and tin niobates","Journal of Solid State Chemistry","2004","177","","1549","1558","","","","","","","","","","","","","","","","","","","","","","has coordinates","158589","2020-10-21","18:00:00",""
"1532639","10.5748","","10.5748","","10.5748","","90","","90","","90","","1182.54","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Sn0.8 Pb0.82 ((Nb1.92 Sn0.08) O6.58)","","- Nb1.92 O6.58 Pb0.82 Sn0.88 -","- Nb1.92 O6.58 Pb0.82 Sn0.884 -","- Nb15.36 O52.64 Pb6.56 Sn7.072 -","8","0.0416667","","Cruz, L.P.; Savariault, J.M.; Fernandez, C.; Morais, C.M.; Pedrosa de Jesus, J.D.; Rocha, J.","Non-stoichiometric mixed lead and tin niobates","Journal of Solid State Chemistry","2004","177","","1549","1558","","","","","","","","","","","","","","","","","","","","","","has coordinates","158592","2020-10-21","18:00:00",""
"1532642","10.5861","","10.5861","","10.5861","","90","","90","","90","","1186.34","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Sn1.49 Pb0.24 ((Nb1.53 Sn0.47) O6.50)","","- Nb1.53 O6.5 Pb0.24 Sn1.96 -","- Nb1.53 O6.5 Pb0.24 Sn1.958 -","- Nb12.24 O52 Pb1.92 Sn15.664 -","8","0.0416667","","Cruz, L.P.; Rocha, J.; Savariault, J.M.; Fernandez, C.; Morais, C.M.; Pedrosa de Jesus, J.D.","Non-stoichiometric mixed lead and tin niobates","Journal of Solid State Chemistry","2004","177","","1549","1558","","","","","","","","","","","","","","","","","","","","","","has coordinates","158595","2020-10-21","18:00:00",""
"1532650","10.4478","","10.4478","","10.4478","","90","","90","","90","","1140.45","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Bi2 (Ga Ta O7)","","- Bi2 Ga O7 Ta -","- Bi2 Ga O7 Ta -","- Bi16 Ga8 O56 Ta8 -","8","0.0416667","","Wang Junhu; Zou Zhigang; Ye Jinhua","Some structural and photophysical properties of two functional double oxides Bi2 M Ta O7 (M= Ga and In)","Journal of Alloys Compd.","2004","377","","248","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532656","11.1096","","11.1096","","17.1987","","90","","90","","120","","1838.33","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nd2 Ca2 (Mn O7)","","- Ca2 Mn Nd2 O7 -","- Ca2 Mn Nd2 O7.00005 -","- Ca24 Mn12 Nd24 O84.0006 -","12","0.666667","","Wang Yingxia; Bie Lijian; Du Yu; Lin Jianhua; Richardson, J.W.jr.; You Liping; Loong Chun-K","Hexagonal perovskite-intergrowth manganates: Ln2 Ca2 Mn O7 (Ln= La, Nd and Sm)","Journal of Solid State Chemistry","2004","177","","65","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532667","9.532","","9.532","","9.532","","90","","90","","90","","866.068","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Mg7 Ti H12.7","","- H12.7 Mg7 Ti -","- Mg7 Ti -","- Mg28 Ti4 -","4","0.0208333","","Kyoi, D.; Kitamura, N.; Ronnebro, E.; Sato, T.; Sakai, T.; Ueda, A.; Ito, M.; Katsuyama, S.; Hara, S.; Noreus, D.","A new ternary magnesium-titanium hydride Mg7 Ti Hx with hydrogen desorption properties better than both binary magnesium and titanium hydrides","Journal of Alloys Compd.","2004","372","","213","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532670","9.437","","9.437","","9.437","","90","","90","","90","","840.431","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Mg6 V H","","- H Mg6 V -","- Mg6 V -","- Mg24 V4 -","4","0.0208333","","Kyoi, D.; Sato, T.; Tsuji, Y.; Ronnebro, E.; Hara, S.; Kitamura, N.; Katsuyama, S.; Ueda, A.; Noreus, D.; Ito, M.; Sakai, T.","A novel magnesium-vanadium hydride synthesized by a gigapascal-high-pressure technique","Journal of Alloys Compd.","2004","375","","253","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532678","7.283","","15.398","","25.06","","90","","90","","90","","2810.32","","","","","","","","","","","","","2","P n n a","-P 2a 2bc","52","","Zn3 Sb2","","- Sb2 Zn3 -","- Sb2 Zn3 -","- Sb48 Zn72 -","24","3","","Bostroem, M.; Lidin, S.","The incommensurably modulated strucutre of zeta-(Zn3-x Sb2)","Journal of Alloys Compd.","2004","376","","49","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","158633","2020-10-21","18:00:00",""
"1532682","10.384","","10.384","","26.55","","90","","90","","120","","2479.27","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Nb2 O3 (S O4)2 (H2 O)0.25","","- H0.5 Nb2 O11.25 S2 -","- H0.25 Nb2 O11.25 S2 -","- H3 Nb24 O135 S24 -","12","0.666667","","Bostroem, M.; Gemmi, M.; Schnelle, W.; Eriksson, L.","Synthesis, properties and structure determination of Nb2 O3 (S O4)2 * 0.25(H2 O) from neutron and synchrotron X-ray powder diffraction data","Journal of Solid State Chemistry","2004","177","","1738","1745","","","","","","","","","","","","","","","","","","","","","","has coordinates","158637","2020-10-21","18:00:00",""
"1532684","9.851","","9.851","","6.868","","90","","90","","90","","666.486","","","","","","","","","","","","","3","P 42 c m","P 4c -2c","101","","","","- Mg11.92 Ni2.32 Sn1.76 -","- Mg11.92 Ni2.32 Sn1.76 -","- Mg23.84 Ni4.64 Sn3.52 -","2","0.25","","Boudard, M.; Vincent, H.; Bordet, P.; Audebert, F.","The structure of the Y-phase in the Mg - Ni - Sn system","Journal of Alloys Compd.","2004","372","","121","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532686","8.0253","","6.8591","","6.5734","","90","","90","","90","","361.842","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Cu2 (Cd0.52 Mn0.48) (Ge Se4)","","- Cd0.52 Cu2 Ge Mn0.48 Se4 -","- Cd0.52 Cu2 Ge Mn0.48 Se4 -","- Cd1.04 Cu4 Ge2 Mn0.96 Se8 -","2","0.5","","Delgado, G.E.; Quintero, M.; Tovar, R.; Quintero, E.","X-ray powder diffraction study of the semiconducting alloy Cu2 Cd0.5 Mn0.5 Ge Se4","Crystal Research and Technology","2004","39","","807","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532694","5.3954","","5.3954","","8.5858","","90","","90","","120","","216.451","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","La Ni5 D6.57","","- D6.57 La Ni5 -","- D6.566 La Ni5 -","- D13.132 La2 Ni10 -","2","0.166667","","Latroche, M.; Joubert, J.M.; Percheron-Guegan, A.; Bouree-Vigneron, F.","Neutron diffraction study of the deuterides of the over-stoichiometric compounds La Ni5+x","Journal of Solid State Chemistry","2004","177","","1219","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532696","9.0822","","9.0822","","9.4155","","90","","90","","120","","672.599","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zn21.8 Mg6.6 Y7.6","","- Mg6.6 Y7.6 Zn21.8 -","- Mg6.58 Y7.576 Zn21.844 -","- Mg6.58 Y7.576 Zn21.844 -","1","0.0416667","","Deng, D.W.; Kuo, K.H.; Luo, Z.P.; Miller, D.J.; Kramer, M.J.; Dennis, K.W.","Crystal structure of the hexagonal Zn3 Mg Y phase","Journal of Alloys Compd.","2004","373","","156","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","158652","2020-10-21","18:00:00",""
"1532697","5.361","","5.361","","8.5732","","90","","90","","120","","213.386","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","La0.97 Ni5.06 D6.18","","- D6.18 La0.97 Ni5.06 -","- D6.182 La0.972 Ni5.0552 -","- D12.364 La1.944 Ni10.1104 -","2","0.166667","","Latroche, M.; Joubert, J.M.; Percheron-Guegan, A.; Bouree-Vigneron, F.","Neutron diffraction study of the deuterides of the over-stoichiometric compounds La Ni5+x","Journal of Solid State Chemistry","2004","177","","1219","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","158653","2020-10-21","18:00:00",""
"1532701","5.3281","","5.3281","","4.2752","","90","","90","","120","","105.107","","","","","","","","","","","","","3","P 6 m m","P 6 -2","183","","La0.95 Ni5.09 D5.59","","- D5.59 La0.95 Ni5.09 -","- D5.588 La0.956 Ni5.0882 -","- D5.588 La0.956 Ni5.0882 -","1","0.0833333","","Latroche, M.; Joubert, J.M.; Percheron-Guegan, A.; Bouree-Vigneron, F.","Neutron diffraction study of the deuterides of the over-stoichiometric compounds La Ni5+x","Journal of Solid State Chemistry","2004","177","","1219","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","158658","2020-10-21","18:00:00",""
"1532702","5.3828","","5.3828","","4.2744","","90","","90","","120","","107.256","","","","","","","","","","","","","3","P 6 m m","P 6 -2","183","","La Ni5 D6.22","","- D6.22 La Ni5 -","- D6.22 La Ni5 -","- D6.22 La Ni5 -","1","0.0833333","","Latroche, M.; Joubert, J.M.; Percheron-Guegan, A.; Bouree-Vigneron, F.","Neutron diffraction study of the deuterides of the over-stoichiometric compounds La Ni5+x","Journal of Solid State Chemistry","2004","177","","1219","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532704","5.3483","","5.3483","","4.2665","","90","","90","","120","","105.69","","","","","","","","","","","","","3","P 6 m m","P 6 -2","183","","La0.97 Ni5.06 D5.89","","- D5.89 La0.97 Ni5.06 -","- D5.888 La0.972 Ni5.0568 -","- D5.888 La0.972 Ni5.0568 -","1","0.0833333","","Latroche, M.; Joubert, J.M.; Bouree-Vigneron, F.; Percheron-Guegan, A.","Neutron diffraction study of the deuterides of the over-stoichiometric compounds La Ni5+x","Journal of Solid State Chemistry","2004","177","","1219","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","158663","2020-10-21","18:00:00",""
"1532706","5.3144","","5.3144","","4.2541","","90","","90","","120","","104.051","","","","","","","","","","","","","3","P 6 m m","P 6 -2","183","","La0.95 Ni5.09 D5.22","","- D5.22 La0.95 Ni5.09 -","- D5.22 La0.956 Ni5.0882 -","- D5.22 La0.956 Ni5.0882 -","1","0.0833333","","Latroche, M.; Joubert, J.M.; Percheron-Guegan, A.; Bouree-Vigneron, F.","Neutron diffraction study of the deuterides of the over-stoichiometric compounds La Ni5+x","Journal of Solid State Chemistry","2004","177","","1219","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","158666","2020-10-21","18:00:00",""
"1532708","5.3957","","5.3957","","26.885","","90","","90","","120","","677.854","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","La Y2 Ni9 D12.38","","- D12.38 La Ni9 Y2 -","- D12.384 La Ni9 Y2 -","- D37.152 La3 Ni27 Y6 -","3","0.0833333","","Latroche, M.; Percheron-Guegan, A.; Paul-Boncour, V.","Structural properties of two deuterides La Y2 Ni9 D12.8 and Ce Y2 Ni9 D7.7 determined by neutron powder diffraction and X-ray absorption spectroscopy","Journal of Solid State Chemistry","2004","177","","2542","2549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532710","4.8724","","4.8724","","31.312","","90","","90","","120","","643.765","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ce Y2 Ni9 D7.87","","- Ce D7.87 Ni9 Y2 -","- Ce D7.868 Ni9 Y2 -","- Ce3 D23.604 Ni27 Y6 -","3","0.0833333","","Latroche, M.; Paul-Boncour, V.; Percheron-Guegan, A.","Structural properties of two deuterides La Y2 Ni9 D12.8 and Ce Y2 Ni9 D7.7 determined by neutron powder diffraction and X-ray absorption spectroscopy","Journal of Solid State Chemistry","2004","177","","2542","2549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532712","4.6164","","3.9583","","18.229","","90","","90","","90","","333.1","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Eu3 Si4 -","- Eu3 Si4 -","- Eu6 Si8 -","2","0.125","","Weitzer, F.; Prots', Yu.; Schnelle, W.; Hiebl, K.; Grin', Yu.","The novel silicide Eu3 Si4: structure, chemical bonding, magnetic behaviour and electrical resistivity","Journal of Solid State Chemistry","2004","177","","2115","2121","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532719","19.625","","6.331","","8.126","","90","","96.71","","90","","1002.71","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(Ag (N H3)2) Ag (Os O3 N)2","","- Ag2 H6 N4 O6 Os2 -","- Ag2 N4 O6 Os2 -","- Ag8 N16 O24 Os8 -","4","0.5","","Wickleder, M.S.; Pley, M.","(Ag (N H3)2) Ag (Os O3 N)2: a new nitridoosmate(VIII)","Journal of Solid State Chemistry","2004","177","","2073","2078","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532720","10.265","","4.6234","","9.8779","","90","","90","","90","","468.797","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Pd3 In2","","- Ce In2 Pd3 -","- Ce In2 Pd3 -","- Ce4 In8 Pd12 -","4","0.5","","Nesterenko, S.N.; Tursina, A.I.; Rogl, P.; Seropegin, Yu.D.","Single crystal investigation of Ce Pd3 In2","Journal of Alloys Compd.","2004","373","","220","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532724","4.8859","","4.8859","","4.5396","","90","","90","","120","","93.851","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Mn N0.421 -","- Mn N0.421 -","- Mn6 N2.526 -","6","0.5","","Leineweber, A.; Jacobs, H.; Kockelmann, W.","Nitrogen ordering in zeta-(manganese nitrides) with hcp arrangement of Mn - Mn Ny with 0.39 < y < 0.48 - determined by neutron diffraction","Journal of Alloys Compd.","2004","368","","229","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532727","2.8332","","2.8332","","4.5546","","90","","90","","120","","31.662","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn N0.421 -","- Mn N0.421 -","- Mn2 N0.842 -","2","0.0833333","","Leineweber, A.; Jacobs, H.; Kockelmann, W.","Nitrogen ordering in zeta-(manganese nitrides) with hcp arrangement of Mn - Mn Ny with 0.39 < y < 0.48 - determined by neutron diffraction","Journal of Alloys Compd.","2004","368","","229","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532728","13.168","","7.602","","9.337","","90","","90","","90","","934.663","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ho2 Rh3 Al9","","- Al9 Ho2 Rh3 -","- Al9 Ho2 Rh3 -","- Al36 Ho8 Rh12 -","4","0.25","","Niermann, J.; Jeitschko, W.; Fehrmann, B.; Wolff, M.W.","Preparation and crystal structure of ternary rare-earth platinum metal aluminides R2 T3 Al9 (T= Rh, Ir, Pd) with (Y2 Co3 Ga9)-type structure and magnetic properties of the iridium compounds","Journal of Solid State Chemistry","2004","177","","2600","2609","","","","","","","","","","","","","","","","","","","","","","has coordinates","158701","2020-10-21","18:00:00",""
"1532729","5.663","","4.9043","","4.5401","","90","","90","","90","","126.092","","","","","","","","","","","","","2","P b n a","-P 2ac 2b","60","","","","- Mn N0.457 -","- Mn N0.457 -","- Mn8 N3.656 -","8","1","","Leineweber, A.; Kockelmann, W.; Jacobs, H.","Nitrogen ordering in zeta-(manganese nitrides) with hcp arrangement of Mn - Mn Ny with 0.39 < y < 0.48 - determined by neutron diffraction","Journal of Alloys Compd.","2004","368","","229","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532731","13.138","","7.585","","9.338","","90","","90","","90","","930.548","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Er2 Ir3 Al9","","- Al9 Er2 Ir3 -","- Al9 Er2 Ir3 -","- Al36 Er8 Ir12 -","4","0.25","","Niermann, J.; Fehrmann, B.; Wolff, M.W.; Jeitschko, W.","Preparation and crystal structure of ternary rare-earth platinum metal aluminides R2 T3 Al9 (T= Rh, Ir, Pd) with (Y2 Co3 Ga9)-type structure and magnetic properties of the iridium compounds","Journal of Solid State Chemistry","2004","177","","2600","2609","","","","","","","","","","","","","","","","","","","","","","has coordinates","158705","2020-10-21","18:00:00",""
"1532732","2.9369","","4.9114","","4.6451","","90","","90","","90","","67.002","","","","","","","","","","","","","2","P m n n","-P 2n 2","58","","","","- Mn N0.484 -","- Mn N0.484 -","- Mn4 N1.936 -","4","0.5","","Leineweber, A.; Jacobs, H.; Kockelmann, W.","Nitrogen ordering in zeta-(manganese nitrides) with hcp arrangement of Mn - Mn Ny with 0.39 < y < 0.48 - determined by neutron diffraction","Journal of Alloys Compd.","2004","368","","229","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532735","5.568","","5.568","","10.756","","90","","90","","120","","288.788","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Sc0.93 B15.5 (C N)","","- C B15.5 N Sc0.93 -","- C B15.5 N Sc0.93 -","- C2 B31 N2 Sc1.86 -","2","0.166667","","Leithe-Jasper, A.; Tanaka, T.; Mori, T.; Bourgeois, L.; Michiue, Y.","New quaternary carbon and nitrogen stabilized polyborides: RE B15.5 C N (RE : Sc, Y, Ho, Er, Tm, Lu), crystal structure and compound formation","Journal of Solid State Chemistry","2004","177","","431","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532741","10.7411","","11.9678","","11.7722","","90","","116.062","","90","","1359.41","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","La6 (Mo8 O33)","","- La6 Mo8 O33 -","- La6 Mo8 O33 -","- La12 Mo16 O66 -","2","1","","Brize, V.; Georges, S.; Kodjikian, S.; Goutenoire, F.; Suard, E.","La6 Mo8 O33 : a new ordered defect scheelite superstructure","Journal of Solid State Chemistry","2004","177","","2617","2627","","","","","","","","","","","","","","","","","","","","","","has coordinates","158719","2020-10-21","18:00:00",""
"1532749","7.5112","","7.5603","","8.2185","","106.904","","94.51","","113.984","","397.508","","","","","","","","","","","","","4","P -1","-P 1","2","","((V (O H) (H2 O)2) (C4 O4))2 (H2 O)2","","- C8 H14 O16 V2 -","- C8 H14 O16 V2 -","- C8 H14 O16 V2 -","1","0.5","","Brouca-Cabarrecq, C.; Trombe, J.C.; Mohanu, A.; Millet, P.","New binuclear vanadium(III) and (IV) squarate species: synthesis, structure and characterization of (V (O H) (H2 O)2 (C4 O4))2 * 2(H2 O) and (N H4) ((V O)2 (O H) (C4 O4)2 (H2 O)3) * 3(H2 O)","Journal of Solid State Chemistry","2004","177","","2575","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","158727","2020-10-21","18:00:00",""
"1532752","14.934","","6.49","","17.959","","90","","97.927","","90","","1723.98","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N H4) ((V O)2 (O H) (H2 O)3 (C4 O4)2) (H2 O)3","","- C8 H11 N O17 V2 -","- C8 H11 N O17 V2 -","- C32 H44 N4 O68 V8 -","4","0.5","","Brouca-Cabarrecq, C.; Mohanu, A.; Millet, P.; Trombe, J.C.","New binuclear vanadium(III) and (IV) squarate species: synthesis, structure and characterization of (V (O H) (H2 O)2 (C4 O4))2 * 2(H2O) and (N H4) ((V O)2 (O H) (C4 O4)2 (H2 O)3) * 3(H2 O)","Journal of Solid State Chemistry","2004","177","","2575","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532756","14.136","","5.681","","5.042","","90","","90","","90","","404.906","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(Mg0.857 Ti0.143) (Nb0.857 Ti0.143)2 O6","","- Mg0.857 Nb1.714 O6 Ti0.429 -","- Mg0.857 Nb1.714 O6 Ti0.429 -","- Mg3.428 Nb6.856 O24 Ti1.716 -","4","0.5","","Bruno, J.C.; Cavalheiro, A.A.; Zaghete, M.A.; Varela, J.A.; Cilense, M.","Structural effects of Li and K additives on the columbite precursor and 0.9PMN - 0.1PT powders","Materials Chemistry and Physics","2004","84","","120","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","158734","2020-10-21","18:00:00",""
"1532759","4.0394","","4.0394","","4.0394","","90","","90","","90","","65.91","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Pb ((Mg0.3 Nb0.6 Ti0.1) O3)","","- Mg0.3 Nb0.6 O3 Pb Ti0.1 -","- Mg0.3 Nb0.6 O3 Pb0.9996 Ti0.1 -","- Mg0.3 Nb0.6 O3 Pb0.9996 Ti0.1 -","1","0.0208333","","Bruno, J.C.; Zaghete, M.A.; Cavalheiro, A.A.; Cilense, M.; Varela, J.A.","Structural effects of Li and K additives on the columbite precursor and 0.9PMN - 0.1PT powders","Materials Chemistry and Physics","2004","84","","120","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532765","2.9064","","2.9064","","4.6667","","90","","90","","120","","34.139","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Ti -","- Ti -","- Ti2 -","2","0.0833333","","Novoselova, T.; Malinov, S.; Sha, W.; Zhecheva, A.","High-temperature synchrotron X-ray diffraction study of phases in a gamma Ti Al alloy","Materials Science and Engineering A","2004","371","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532767","5.764","","5.764","","4.664","","90","","90","","120","","134.195","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ti3 Al","","- Al Ti3 -","- Al Ti3 -","- Al2 Ti6 -","2","0.0833333","","Novoselova, T.; Malinov, S.; Sha, W.; Zhecheva, A.","High-temperature synchrotron X-ray diffraction study of phases in a gamma Ti Al alloy","Materials Science and Engineering A","2004","371","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532769","2.8373","","2.8373","","4.0591","","90","","90","","90","","32.677","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","Ti Al","","- Al Ti -","- Al Ti -","- Al Ti -","1","0.0625","","Novoselova, T.; Malinov, S.; Sha, W.; Zhecheva, A.","High-temperature synchrotron X-ray diffraction study of phases in a gamma Ti Al alloy","Materials Science and Engineering A","2004","371","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532771","8.8652","","8.8652","","9.57","","90","","90","","120","","651.358","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al12 Ce3 Ru4 -","- Al12 Ce3 Ru4 -","- Al24 Ce6 Ru8 -","2","0.0833333","","Bukhan'ko, N.G.; Gribanov, A.V.; Tursina, A.I.; Malyshev, S.V.; Seropegin, Yu.D.; Bodak, O.I.","The crystal structure of the compound Ce3 Ru4 Al12 with Gd3 Ru4 Al12 type","Journal of Alloys Compd.","2004","367","","149","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532773","2.9194","","2.9194","","4.713","","90","","90","","120","","34.787","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ti2 O","","- O Ti2 -","- O Ti2 -","- O Ti2 -","1","0.0833333","","Novoselova, T.; Malinov, S.; Sha, W.; Zhecheva, A.","High-temperature synchrotron X-ray diffraction study of phases in a gamma Ti Al alloy","Materials Science and Engineering A","2004","371","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532775","4.001","","4.001","","4.0222","","90","","90","","90","","64.387","","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","Ba ((Ti O3)0.96 ((Fe0.5 Ta0.5) O3)0.04)","","- Ba Fe0.02 O3 Ta0.02 Ti0.96 -","- Ba Fe0.02 O3 Ta0.02 Ti0.96 -","- Ba Fe0.02 O3 Ta0.02 Ti0.96 -","1","0.125","","Li Guobao; Liu Shixiang; Kohn, K.; Jing Xiping; Liao Fuhui; Tian Shujian; Saitoh, K.; Lin Jianhua; Uesu, Y.; Terauchi, M.; Di Nai-Li; Cheng Zhaohua","The structural and electric properties of the perovskite system (Ba Ti O3) - (Ba (Fe0.5 Ta0.5) O3)","Journal of Solid State Chemistry","2004","177","","1695","1703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532779","5.7414","","5.7414","","7.0317","","90","","90","","120","","200.737","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Ba ((Fe0.5 Ta0.5) O3)","","- Ba Fe0.5 O3 Ta0.5 -","- Ba Fe0.5 O3 Ta0.5 -","- Ba3 Fe1.5 O9 Ta1.5 -","3","0.166667","","Li Guobao; Lin Jianhua; Liao Fuhui; Tian Shujian; Liu Shixiang; Kohn, K.; Jing Xiping; Uesu, Y.; Cheng Zhaohua; Saitoh, K.; Terauchi, M.; Di Nai-Li","The structural and electric properties of the perovskite system (Ba Ti O3) - (Ba (Fe0.5 Ta0.5) O3)","Journal of Solid State Chemistry","2004","177","","1695","1703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532781","8.4828","","13.426","","7.1366","","90","","90","","90","","812.788","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Cs4 ((U O2)2 (V2 O7) O2)","","- Cs4 O13 U2 V2 -","- Cs4 O13 U2 V2 -","- Cs8 O26 U4 V4 -","2","0.25","","Obbade, S.; Dion, C.; Saadi, M.; Abraham, F.","Synthesis, crystal structure and electrical characterization of Cs4 ((U O2)2 (V2 O7) O2), a uranyl divanadate with chains of corner-sharing uranyl square bipyramids","Journal of Solid State Chemistry","2004","177","","1567","1574","","","","","","","","","","","","","","","","","","","","","","has coordinates","158767","2020-10-21","18:00:00",""
"1532783","5.7414","","5.7414","","14.0634","","90","","90","","120","","401.473","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","Ba ((Fe0.5 Ta0.5) O3)","","- Ba Fe0.5 O3 Ta0.5 -","- Ba Fe0.5 O3 Ta0.5 -","- Ba6 Fe3 O18 Ta3 -","6","1","","Li Guobao; Liu Shixiang; Liao Fuhui; Uesu, Y.; Jing Xiping; Tian Shujian; Lin Jianhua; Kohn, K.; Di Nai-Li; Terauchi, M.; Saitoh, K.; Cheng Zhaohua","The structural and electric properties of the perovskite system (BaTi O3) - (Ba (Fe0.5 Ta0.5) O3)","Journal of Solid State Chemistry","2004","177","","1695","1703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532785","7.9372","","12.786","","7.4249","","90","","90","","90","","753.516","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Li2 (U O2) (W O4)2","","- Li2 O10 U W2 -","- Li2.01 O10 U W2 -","- Li8.04 O40 U4 W8 -","4","0.5","","Obbade, S.; Yagoubi, S.; Dion, C.; Saadi, M.; Abraham, F.","Two new lithium uranyl tungstates Li2 (U O2) (W O4)2 and Li2 (U O2)4 (W O4)4 O with framework based on the uranophane sheet anion topology","Journal of Solid State Chemistry","2004","177","","1681","1694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532787","12.5705","","12.5705","","3.9581","","90","","90","","90","","625.449","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Ba6 (Ti2 Ta8 O30)","","- Ba6 O30 Ta8 Ti2 -","- Ba6 O30 Ta8 Ti2 -","- Ba6 O30 Ta8 Ti2 -","1","0.0625","","Li Guobao; Lei Cheng; Tian Shujian; Liao Fuhui; Lin Jianhua; Jing Xiping","Luminescent and structural properties of the series Ba6-x Eux Ti2+x Ta8-x O30 and Ba4-y Ky Eu2 Ti4-y Ta6+y O30","Journal of Solid State Chemistry","2004","177","","875","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","158773","2020-10-21","18:00:00",""
"1532789","14.019","","6.3116","","22.296","","90","","98.86","","90","","1949.26","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li2 (U O2)4 (W O4)4 O","","- Li2 O25 U4 W4 -","- Li2 O25 U4 W4 -","- Li8 O100 U16 W16 -","4","0.5","","Obbade, S.; Yagoubi, S.; Dion, C.; Saadi, M.; Abraham, F.","Two new lithium uranyl tungstates Li2 (U O2) (W O4)2 and Li2 (U O2)4 (W O4)4 O with framework based on the uranophane sheet anion topology","Journal of Solid State Chemistry","2004","177","","1681","1694","","","","","","","","","","","","","","","","","","","","","","has coordinates","158775","2020-10-21","18:00:00",""
"1532791","12.3842","","12.3842","","3.8886","","90","","90","","90","","596.388","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Ba4 Eu2 (Ti4 Ta6 O30)","","- Ba4 Eu2 O30 Ta6 Ti4 -","- Ba4 Eu2 O30 Ta6 Ti4 -","- Ba4 Eu2 O30 Ta6 Ti4 -","1","0.0625","","Li Guobao; Jing Xiping; Liao Fuhui; Lei Cheng; Tian Shujian; Lin Jianhua","Luminescent and structural properties of the series Ba6-x Eux Ti2+x Ta8-x O30 and Ba4-y Ky Eu2 Ti4-y Ta6+y O30","Journal of Solid State Chemistry","2004","177","","875","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","158777","2020-10-21","18:00:00",""
"1532793","7.2267","","7.2267","","34.079","","90","","90","","90","","1779.78","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Na (U O2)4 (V O4)3","","- Na O20 U4 V3 -","- Na O20 U4 V3 -","- Na4 O80 U16 V12 -","4","0.125","","Obbade, S.; Dion, C.; Rivenet, M.; Saadi, M.; Abraham, F.","A novel open-framework with open non-crossing channels in the uranyl vanadates A (U O2)4 (V O4)3 (A = Li, Na)","Journal of Solid State Chemistry","2004","177","","2058","2067","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532795","12.5006","","12.5006","","3.8742","","90","","90","","90","","605.402","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","K4 Eu2 (Ta10 O30)","","- Eu2 K4 O30 Ta10 -","- Eu2 K4 O30 Ta10 -","- Eu2 K4 O30 Ta10 -","1","0.0625","","Li Guobao; Lei Cheng; Liao Fuhui; Tian Shujian; Jing Xiping; Lin Jianhua","Luminescent and structural properties of the series Ba6-x Eux Ti2+x Ta8-x O30 and Ba4-y Ky Eu2 Ti4-y Ta6+y O30","Journal of Solid State Chemistry","2004","177","","875","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","158781","2020-10-21","18:00:00",""
"1532798","5.73659","","5.73659","","5.61884","","90","","90","","120","","160.135","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Mo N -","- Mo N -","- Mo8 N8 -","8","0.666667","","Bull, C.L.; McMillan, P.F.; Soignard, E.; Leinenweber, K.","Determination of the crystal structure of delta-(Mo N) by neutron diffraction","Journal of Solid State Chemistry","2004","177","","1488","1492","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532802","3.8866","","3.8866","","8.3001","","90","","90","","90","","125.378","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Li Al O2","","- Al Li O2 -","- Al1.012 Li0.988 O2 -","- Al4.048 Li3.952 O8 -","4","0.125","","Li Xijun; Kobayashi, T.; Zhang Fuxiang; Sekine, T.; Kimoto, K.","A new high-pressure phase of Li Al O2","Journal of Solid State Chemistry","2004","177","","1939","1943","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532805","3.005","","3.005","","3.2537","","90","","90","","120","","25.445","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Al0.9 B2 -","- Al0.91 B2 -","- Al0.91 B2 -","1","0.0416667","","Burkhardt, U.; Grin', Yu.; Haarmann, F.; Borrmann, H.; Gurin, V.; Schnelle, W.; Yaresko, A.","On the electronic and structural properties of aluminium diboride Al0.9 B2","Journal of Solid State Chemistry","2004","177","","389","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532806","9.41908","","9.41908","","17.5949","","90","","90","","120","","1351.87","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba3 Y (B O3)3","","- B3 Ba3 O9 Y -","- B3 Ba3 O9 Y -","- B18 Ba18 O54 Y6 -","6","0.5","","Li, X.Z.; Chen, X.L.; Wu, L.; Zhou, T.; Cao, Y.G.; Xu, Y.P.","Ba3 Y B3 O9 : phase transition and crystal structure","Journal of Alloys Compd.","2004","370","","53","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532807","3.8646","","3.8688","","11.6392","","90","","90","","90","","174.022","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Nd Ba Sr (Cu3 O7.13)","","- Ba Cu3 Nd O7.13 Sr -","- Ba Cu3 Nd O7.13 Sr -","- Ba Cu3 Nd O7.13 Sr -","1","0.125","","Wuernisha, T.; Sekizawa, K.; Takase, K.; Takano, Y.; Takahashi, Y.","Effects of Sr substitution for Ba on the crystal structure, oxygen content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d","Journal of Alloys Compd.","2004","377","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532809","8.351","","8.351","","22.87","","90","","90","","120","","1381.26","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Sr Cr Sn (P O4)3","","- Cr O12 P3 Sn Sr -","- Cr O12 P3 Sn Sr -","- Cr6 O72 P18 Sn6 Sr6 -","6","0.333333","","Buvaneswari, G.; Govindan Kutty, K.V.; Varadaraju, U.V.","Thermal expansion behaviour of sodium zirconium phosphate structure type phosphates containing tin","Materials Research Bulletin","2004","39","","475","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532810","7.5966","","7.68989","","2.8926","","90","","90","","90","","168.977","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","(Al1.52 Cr0.48) Al2.56 Si1.44 O9.87","","- Al4.08 Cr0.48 O9.87 Si1.44 -","- Al4.088 Cr0.48 O9.868 Si1.432 -","- Al4.088 Cr0.48 O9.868 Si1.432 -","1","0.125","","Li, J.F.; Li, L.; Stott, F.H.","Crystallographical analysis of surface layers of refractory ceramics formed using combined flame spray and simultaneous laser treatment","Journal of the European Ceramic Society","2004","24","","3129","3138","","","","","","","","","","","","","","","","","","","","","","has coordinates","158797","2020-10-21","18:00:00",""
"1532811","3.8646","","3.9043","","11.741","","90","","90","","90","","177.155","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Nd Ba1.8 Sr0.2 (Cu3 O6.96)","","- Ba1.8 Cu3 Nd O6.96 Sr0.2 -","- Ba1.8 Cu3 Nd1.004 O6.96 Sr0.196 -","- Ba1.8 Cu3 Nd1.004 O6.96 Sr0.196 -","1","0.125","","Wuernisha, T.; Takahashi, Y.; Sekizawa, K.; Takase, K.; Takano, Y.","Effects of Sr substitution for Ba on the crystal structure, oxygen content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d","Journal of Alloys Compd.","2004","377","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532812","3.781","","3.781","","46.807","","90","","90","","120","","579.502","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Ga2 Cr1.33 Se5","","- Cr1.33 Ga2 Se5 -","- Cr1.334 Ga2.001 Se5 -","- Cr4.002 Ga6.003 Se15 -","3","0.333333","","Okonska-Kozlowska, I.; Szamocka, K.; Malicka, E.; Heimann, J.; Gron, T.; Mydlarz, T.; Gilewski, A.; Waskowska, A.","The crystal structure and properties of Ga2 Cr1.33 Se5, a new layered semiconductor","Journal of Alloys Compd.","2004","366","","21","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","158799","2020-10-21","18:00:00",""
"1532813","8.398","","8.398","","22.874","","90","","90","","120","","1397.09","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Sr Fe Sn (P O4)3","","- Fe O12 P3 Sn Sr -","- Fe O12 P3 Sn Sr -","- Fe6 O72 P18 Sn6 Sr6 -","6","0.333333","","Buvaneswari, G.; Govindan Kutty, K.V.; Varadaraju, U.V.","Thermal expansion behaviour of sodium zirconium phosphate structure type phosphates containing tin","Materials Research Bulletin","2004","39","","475","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532815","3.8656","","3.8954","","11.719","","90","","90","","90","","176.465","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Nd Ba1.6 Sr0.4 (Cu3 O6.94)","","- Ba1.6 Cu3 Nd O6.94 Sr0.4 -","- Ba1.6 Cu3 Nd O6.94 Sr0.4 -","- Ba1.6 Cu3 Nd O6.94 Sr0.4 -","1","0.125","","Wuernisha, T.; Takahashi, Y.; Takano, Y.; Takase, K.; Sekizawa, K.","Effects of Sr substitution for Ba on the crystal structure, oxygen content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d","Journal of Alloys Compd.","2004","377","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532818","3.8702","","3.8856","","11.6997","","90","","90","","90","","175.941","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Nd Ba1.4 Sr0.6 (Cu3 O6.94)","","- Ba1.4 Cu3 Nd O6.94 Sr0.6 -","- Ba1.4 Cu3 Nd O6.94 Sr0.6 -","- Ba1.4 Cu3 Nd O6.94 Sr0.6 -","1","0.125","","Wuernisha, T.; Takahashi, Y.; Takase, K.; Sekizawa, K.; Takano, Y.","Effects of Sr substitution for Ba on the crystal structure, oxygen content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d","Journal of Alloys Compd.","2004","377","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532821","3.869","","3.8757","","11.6731","","90","","90","","90","","175.039","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Nd Ba1.2 Sr0.8 (Cu3 O6.97)","","- Ba1.2 Cu3 Nd O6.97 Sr0.8 -","- Ba1.2 Cu3 Nd O6.97 Sr0.8 -","- Ba1.2 Cu3 Nd O6.97 Sr0.8 -","1","0.125","","Wuernisha, T.; Sekizawa, K.; Takahashi, Y.; Takano, Y.; Takase, K.","Effects of Sr substitution for Ba on the crystal structure, oxygen content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d","Journal of Alloys Compd.","2004","377","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532823","5.6803","","5.7907","","8.0945","","90","","90","","90","","266.252","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","La (Sc O3)","","- La O3 Sc -","- La O3 Sc -","- La4 O12 Sc4 -","4","0.5","","Liferovich, R.P.; Mitchell, R.H.","A structural study of ternary lanthanide orthoscandate perovskites","Journal of Solid State Chemistry","2004","177","","2188","2197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532827","5.5809","","5.7765","","8.0072","","90","","90","","90","","258.137","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Nd (Sc O3)","","- Nd O3 Sc -","- Nd O3 Sc -","- Nd4 O12 Sc4 -","4","0.5","","Liferovich, R.P.; Mitchell, R.H.","A structural study of ternary lanthanide orthoscandate perovskites","Journal of Solid State Chemistry","2004","177","","2188","2197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532830","5.5343","","5.7622","","7.9674","","90","","90","","90","","254.078","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sm (Sc O3)","","- O3 Sc Sm -","- O3 Sc Sm -","- O12 Sc4 Sm4 -","4","0.5","","Liferovich, R.P.; Mitchell, R.H.","A structural study of ternary lanthanide orthoscandate perovskites","Journal of Solid State Chemistry","2004","177","","2188","2197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532832","10.261","","10.261","","10.261","","90","","90","","90","","1080.36","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na Ca Mg2 F7","","- Ca F7 Mg2 Na -","- Ca F7 Mg2 Na -","- Ca8 F56 Mg16 Na8 -","8","0.0416667","","Oliveira, E.A.; Guedes, I.; Ellena, J.; Gesland, J.Y.; Ayala, A.P.; Moreira, R.L.; Grimsditch, M.","Crystal structure and vibrational spectrum of the Na Ca Mg2 F7 pyrochlore","Journal of Solid State Chemistry","2004","177","","2943","2950","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532840","5.0123","","5.0123","","4.0677","","90","","90","","120","","88.502","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Nd0.78 Co3.1 Cu2.34","","- Co3.1 Cu2.34 Nd0.78 -","- Co3.1 Cu2.34 Nd0.78 -","- Co3.1 Cu2.34 Nd0.78 -","1","0.0416667","","Luo, J.; Liang, J.K.; Liu, Q.L.; Guo, Y.Q.; Yang, L.T.; Liu, F.S.; Rao, G.H.","Crystal structure of Sm Co6.7 Zr0.3 and Nd Co4 Cu3 compounds with (Tb Cu7)-type structure","Journal of Alloys Compd.","2004","372","","187","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","158837","2020-10-21","18:00:00",""
"1532841","4.4718","","11.2733","","4.0701","","90","","90","","90","","205.182","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr (Al0.5 Si0.5)","","- Al0.5 Pr Si0.5 -","- Al0.5 Pr Si0.5 -","- Al2 Pr4 Si2 -","4","0.25","","Lyaskovska, N.; Romaniv, O.; Gladyshevskii, E.I.; Semus'o, N.","Crystal structures of the compounds R Al0.5-x Si0.5+x (R = La, Ce, Pr, Nd, Sm, Gd), R3 Al4 Si6 (R = La, Pr) and R Al Si2 (R = Pr, Nd)","Journal of Alloys Compd.","2004","367","","180","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532852","12.25008","","12.25008","","8.35891","","90","","90","","90","","1254.38","","","","","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","Pb (Ni1.88 Mg0.12) (V O4)2","","- Mg0.12 Ni1.88 O8 Pb V2 -","- Mg0.138 Ni1.862 O8 Pb V2 -","- Mg1.104 Ni14.896 O64 Pb8 V16 -","8","0.5","","Mastoraki, I.; Lappas, A.; Toebbens, D.M.; Giapintzakis, J.; Hernandez-Velasco, J.","Relations of crystal structure to magnetic properties in the quasi-one-dimensional compound Pb Ni1.88 Mg0.12 V2 O8","Journal of Solid State Chemistry","2004","177","","2404","2414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532866","5.4671","","5.4671","","15.3674","","90","","90","","90","","459.319","","","","","","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","Pb2 Sr2 Cl (Ru Cu2 O8)","","- Cl Cu2 O8 Pb2 Ru Sr2 -","- Cl Cu2 O7.96 Pb2 Ru Sr2 -","- Cl2 Cu4 O15.92 Pb4 Ru2 Sr4 -","2","0.125","","McLaughlin, A.C.; Attfield, J.P.; Liu, R.S.; Jang, L.-Y.; Zhou, W.Z.","Studies of microstructure and ruthenium valence in the ruthenocuprates Pb2 Ru Sr2 Cu2 O8 Cl and (Ru, M) Sr2 Gd Cu2 O8 (M =Sn, Nb)","Journal of Solid State Chemistry","2004","177","","834","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532867","19.423","","3.9793","","18.1191","","90","","90","","90","","1400.42","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La5 Ti2 Cu S5 O7","","- Cu La5 O7 S5 Ti2 -","- Cu La5 O7 S5 Ti2 -","- Cu4 La20 O28 S20 Ti8 -","4","0.5","","Meignen, V.; Cario, L.; Lafond, A.; Moelo, Y.; Meerschaut, A.; Guillot-Deudon, C.","Crystal structures of two new oxysulfides La5 Ti2 M S5 O7 (M = Cu, Ag): evidence of anionic segregation","Journal of Solid State Chemistry","2004","177","","2810","2817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532869","7.7262","","7.7262","","3.6779","","90","","90","","90","","219.549","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Y2 Pd2 Pb","","- Pb Pd2 Y2 -","- Pb Pd2 Y2 -","- Pb2 Pd4 Y4 -","2","0.125","","Melnyk, G.; Tremel, W.; Kandpal, H.C.; Gulay, L.D.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532870","7.9511","","7.9511","","3.9337","","90","","90","","90","","248.688","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","La2 Pd2 Pb","","- La2 Pb Pd2 -","- La2 Pb Pd2 -","- La4 Pb2 Pd4 -","2","0.125","","Melnyk, G.; Kandpal, H.C.; Gulay, L.D.; Tremel, W.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532871","7.9112","","7.9112","","3.8667","","90","","90","","90","","242.005","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Ce2 Pd2 Pb","","- Ce2 Pb Pd2 -","- Ce2 Pb Pd2 -","- Ce4 Pb2 Pd4 -","2","0.125","","Melnyk, G.; Kandpal, H.C.; Gulay, L.D.; Tremel, W.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532872","7.8775","","7.8775","","3.8362","","90","","90","","90","","238.055","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Pr2 Pd2 Pb","","- Pb Pd2 Pr2 -","- Pb Pd2 Pr2 -","- Pb2 Pd4 Pr4 -","2","0.125","","Melnyk, G.; Kandpal, H.C.; Gulay, L.D.; Tremel, W.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532873","7.8084","","7.8084","","3.7582","","90","","90","","90","","229.142","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Sm2 Pd2 Pb","","- Pb Pd2 Sm2 -","- Pb Pd2 Sm2 -","- Pb2 Pd4 Sm4 -","2","0.125","","Melnyk, G.; Kandpal, H.C.; Tremel, W.; Gulay, L.D.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532874","7.7829","","7.7829","","3.7207","","90","","90","","90","","225.376","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Gd2 Pd2 Pb","","- Gd2 Pb Pd2 -","- Gd2 Pb Pd2 -","- Gd4 Pb2 Pd4 -","2","0.125","","Melnyk, G.; Tremel, W.; Kandpal, H.C.; Gulay, L.D.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532875","7.7503","","7.7503","","3.6883","","90","","90","","90","","221.546","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tb2 Pd2 Pb","","- Pb Pd2 Tb2 -","- Pb Pd2 Tb2 -","- Pb2 Pd4 Tb4 -","2","0.125","","Melnyk, G.; Kandpal, H.C.; Tremel, W.; Gulay, L.D.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532876","7.7495","","7.7495","","3.6567","","90","","90","","90","","219.602","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Dy2 Pd2 Pb","","- Dy2 Pb Pd2 -","- Dy2 Pb Pd2 -","- Dy4 Pb2 Pd4 -","2","0.125","","Melnyk, G.; Kandpal, H.C.; Gulay, L.D.; Tremel, W.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532877","7.7377","","7.7377","","3.635","","90","","90","","90","","217.635","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Ho2 Pd2 Pb","","- Ho2 Pb Pd2 -","- Ho2 Pb Pd2 -","- Ho4 Pb2 Pd4 -","2","0.125","","Melnyk, G.; Kandpal, H.C.; Tremel, W.; Gulay, L.D.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532878","7.7157","","7.7157","","3.6157","","90","","90","","90","","215.25","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Er2 Pd2 Pb","","- Er2 Pb Pd2 -","- Er2 Pb Pd2 -","- Er4 Pb2 Pd4 -","2","0.125","","Melnyk, G.; Kandpal, H.C.; Gulay, L.D.; Tremel, W.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532879","7.7021","","7.7021","","3.59","","90","","90","","90","","212.967","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tm2 Pd2 Pb","","- Pb Pd2 Tm2 -","- Pb Pd2 Tm2 -","- Pb2 Pd4 Tm4 -","2","0.125","","Melnyk, G.; Gulay, L.D.; Kandpal, H.C.; Tremel, W.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532880","7.693","","7.693","","3.5599","","90","","90","","90","","210.683","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Lu2 Pd2 Pb","","- Lu2 Pb Pd2 -","- Lu2 Pb Pd2 -","- Lu4 Pb2 Pd4 -","2","0.125","","Melnyk, G.; Kandpal, H.C.; Gulay, L.D.; Tremel, W.","Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb,Dy, Ho, Er, Tm and Lu) compounds","Journal of Alloys Compd.","2004","370","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532881","10.561","","4.162","","10.077","","90","","119.1","","90","","387.023","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Gd2 Co Si2","","- Co Gd2 Si2 -","- Co Gd2 Si2 -","- Co4 Gd8 Si8 -","4","0.5","","Merlo, F.; Canepa, F.; Napoletano, M.; Pani, M.","The structure and magnetism of the new intermetallic compounds R2 Co Si2 (R= Y, Gd, Tb, Dy)","Journal of Alloys Compd.","2004","372","","30","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532882","10.395","","4.134","","9.966","","90","","118.86","","90","","375.078","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dy2 Co Si2","","- Co Dy2 Si2 -","- Co Dy2 Si2 -","- Co4 Dy8 Si8 -","4","0.5","","Merlo, F.; Pani, M.; Napoletano, M.; Canepa, F.","The structure and magnetism of the new intermetallic compounds R2 Co Si2 (R= Y, Gd, Tb, Dy)","Journal of Alloys Compd.","2004","372","","30","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532883","10.285","","4.114","","9.884","","90","","118.65","","90","","367.012","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Er2 Co Si2","","- Co Er2 Si2 -","- Co Er2 Si2 -","- Co4 Er8 Si8 -","4","0.5","","Merlo, F.; Pani, M.; Fornasini, M.L.","Crystal structure and electrical properties of the new R2 T Si2 compounds (R = rare earths; T = Fe, Co)","Journal of Alloys Compd.","2004","372","","80","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532884","10.566","","4.1518","","10.015","","90","","118.84","","90","","384.846","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tb2 Fe Si2","","- Fe Si2 Tb2 -","- Fe Si2 Tb2 -","- Fe4 Si8 Tb8 -","4","0.5","","Merlo, F.; Pani, M.; Fornasini, M.L.","Crystal structure and electrical properties of the new R2 T Si2 compounds (R= rare earths; T= Fe, Co)","Journal of Alloys Compd.","2004","372","","80","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532885","10.392","","4.1159","","9.866","","90","","118.55","","90","","370.679","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Er2 Fe Si2 -","- Er2 Fe Si2 -","- Er8 Fe4 Si8 -","4","0.5","","Merlo, F.; Pani, M.; Fornasini, M.L.","Crystal structure and electrical properties of the new R2 T Si2 compounds (R= rare earths; T= Fe, Co)","Journal of Alloys Compd.","2004","372","","80","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532891","17.529","","9.408","","9.775","","90","","89.51","","90","","1611.96","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Hg3 Se2 Br2","","- Br2 Hg3 Se2 -","- Br2 Hg3 Se2 -","- Br16 Hg24 Se16 -","8","1","","Minets, Yu.V.; Khudolii, V.A.; Voroshilov, Yu.V.; Pan'ko, V.V.","Phase equilibria in the (Hg Se) - (Hg Br2) -(Hg I2) system and crystal structure of Hg3 Se2 Br2 and Hg3 Se2 I2","Journal of Alloys Compd.","2004","365","","121","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","158899","2020-10-21","18:00:00",""
"1532892","19.392","","9.652","","10.918","","90","","116.64","","90","","1826.6","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Hg3 Se2 I2","","- Hg3 I2 Se2 -","- Hg3 I2 Se2 -","- Hg24 I16 Se16 -","8","1","","Minets, Yu.V.; Voroshilov, Yu.V.; Pan'ko, V.V.; Khudolii, V.A.","Phase equilibria in the (Hg Se) - (Hg Br2) -(Hg I2) system and crystal structure of Hg3 Se2 Br2 and Hg3 Se2 I2","Journal of Alloys Compd.","2004","365","","121","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","158900","2020-10-21","18:00:00",""
"1532893","3.88087","","3.88087","","12.69903","","90","","90","","90","","191.262","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La0.72 Sr1.28) ((Fe0.95 Ru0.05) O4)","","- Fe0.95 La0.72 O4 Ru0.05 Sr1.28 -","- Fe0.947 La0.722 O4 Ru0.053 Sr1.278 -","- Fe1.894 La1.444 O8 Ru0.106 Sr2.556 -","2","0.0625","","Jennings, A.J.; Skinner, S.J.; Helgason, O.","Lax Sr2-x Fey Ru1-y O4+d: a new family of K2 Ni F4 type oxides","Journal of Solid State Chemistry","2004","177","","45","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","158901","2020-10-21","18:00:00",""
"1532895","3.89903","","3.89903","","12.61727","","90","","90","","90","","191.813","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La0.09 Sr1.91) ((Fe0.62 Ru0.38) O3.75)","","- Fe0.62 La0.09 O3.75 Ru0.38 Sr1.91 -","- Fe0.621 La0.09 O3.746 Ru0.379 Sr1.91 -","- Fe1.242 La0.18 O7.492 Ru0.758 Sr3.82 -","2","0.0625","","Jennings, A.J.; Skinner, S.J.; Helgason, O.","Lax Sr2-x Fey Ru1-y O4+d: a new family of K2 Ni F4 type oxides","Journal of Solid State Chemistry","2004","177","","45","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","158903","2020-10-21","18:00:00",""
"1532896","3.9238","","12.632","","9.514","","90","","90","","90","","471.566","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Yb S3","","- La S3 Yb -","- La S3 Yb -","- La4 S12 Yb4 -","4","0.25","","Mitchell, K.; Huang Fuqiang; Somers, R.C.; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532897","3.87367","","3.87367","","12.7361","","90","","90","","90","","191.109","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.17 Sr0.83) ((Fe0.92 Ru0.08) O4)","","- Fe0.92 La1.17 O4 Ru0.08 Sr0.83 -","- Fe0.923 La1.17 O4 Ru0.077 Sr0.83 -","- Fe1.846 La2.34 O8 Ru0.154 Sr1.66 -","2","0.0625","","Jennings, A.J.; Skinner, S.J.; Helgason, O.","Lax Sr2-x Fey Ru1-y O4+d: a new family of K2 Ni F4 type oxides","Journal of Solid State Chemistry","2004","177","","45","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","158905","2020-10-21","18:00:00",""
"1532898","4.0616","","13.094","","9.932","","90","","90","","90","","528.209","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Yb Se3","","- La Se3 Yb -","- La Se3 Yb -","- La4 Se12 Yb4 -","4","0.25","","Mitchell, K.; Huang Fuqiang; Somers, R.C.; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532899","4.0234","","13.065","","9.885","","90","","90","","90","","519.612","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ce Yb Se3","","- Ce Se3 Yb -","- Ce Se3 Yb -","- Ce4 Se12 Yb4 -","4","0.25","","Mitchell, K.; Somers, R.C.; Huang Fuqiang; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532900","3.9477","","3.9477","","3.9477","","90","","90","","90","","61.522","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(La0.44 Ba0.38 Ca0.18) ((Mn0.43 Ti0.57) O2.91)","","- Ba0.38 Ca0.18 La0.44 Mn0.43 O2.91 Ti0.57 -","- Ba0.38 Ca0.18 La0.44 Mn0.43 O2.907 Ti0.57 -","- Ba0.38 Ca0.18 La0.44 Mn0.43 O2.907 Ti0.57 -","1","0.0208333","","Jha, P.; Lofland, S.E.; Rai, S.; Ramanujachary, K.V.; Ganguli, A.K.","(La0.4 Ba0.4 Ca0.2) (Mn0.4 Ti0.6) O3: a new titano-manganate with a high dielectric constant and antiferromagnetic interactions","Journal of Solid State Chemistry","2004","177","","2881","2888","","","","","","","","","","","","","","","","","","","","","","has coordinates","158910","2020-10-21","18:00:00",""
"1532901","4.0152","","13.053","","9.868","","90","","90","","90","","517.186","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr Yb Se3","","- Pr Se3 Yb -","- Pr Se3 Yb -","- Pr4 Se12 Yb4 -","4","0.25","","Mitchell, K.; Somers, R.C.; Huang Fuqiang; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532902","4.0015","","13.047","","9.859","","90","","90","","90","","514.714","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd Yb Se3","","- Nd Se3 Yb -","- Nd Se3 Yb -","- Nd4 Se12 Yb4 -","4","0.25","","Mitchell, K.; Somers, R.C.; Huang Fuqiang; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532904","3.978","","13.04","","9.86","","90","","90","","90","","511.469","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm Yb Se3","","- Se3 Sm Yb -","- Se3 Sm Yb -","- Se12 Sm4 Yb4 -","4","0.25","","Mitchell, K.; Huang Fuqiang; Somers, R.C.; Ibers, J.A.","Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se","Journal of Solid State Chemistry","2004","177","","709","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532911","3.1236","","3.1236","","16.037","","90","","90","","120","","135.508","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na2 (Ru O3)","","- Na2 O3 Ru -","- Na1.9995 O3 Ru1.0005 -","- Na3.999 O6 Ru2.001 -","2","0.0555556","","Mogare, K.M.; Friese, K.; Klein, W.; Jansen, M.","Syntheses and crystal structures of two sodium ruthenates: Na2 Ru o4 and Na2 Ru O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","547","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532912","5.4141","","9.3663","","10.8481","","90","","99.636","","90","","542.347","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na2 (Ru O3)","","- Na2 O3 Ru -","- Na2 O3 Ru -","- Na16 O24 Ru8 -","8","1","","Mogare, K.M.; Friese, K.; Klein, W.; Jansen, M.","Syntheses and crystal structures of two sodium ruthenates: Na2 Ru o4 and Na2 Ru O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","547","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532926","6.99","","6.99","","4.274","","90","","90","","120","","180.85","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Tb3 Mn3 Ga2 Si","","- Ga2 Mn3 Si Tb3 -","- Ga2 Mn3 Si Tb3 -","- Ga2 Mn3 Si Tb3 -","1","0.0833333","","Morozkin, A.V.","New R3 Mn3 Ga2 Si compounds","Journal of Alloys Compd.","2004","363","","L1","L2","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532927","6.968","","6.968","","4.254","","90","","90","","120","","178.873","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Dy3 Mn3 Ga2 Si","","- Dy3 Ga2 Mn3 Si -","- Dy3 Ga2 Mn3 Si -","- Dy3 Ga2 Mn3 Si -","1","0.0833333","","Morozkin, A.V.","New R3 Mn3 Ga2 Si compounds","Journal of Alloys Compd.","2004","363","","L1","L2","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532928","6.944","","6.944","","4.239","","90","","90","","120","","177.016","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Ho3 Mn3 Ga2 Si","","- Ga2 Ho3 Mn3 Si -","- Ga2 Ho3 Mn3 Si -","- Ga2 Ho3 Mn3 Si -","1","0.0833333","","Morozkin, A.V.","New R3 Mn3 Ga2 Si compounds","Journal of Alloys Compd.","2004","363","","L1","L2","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532929","6.916","","6.916","","4.217","","90","","90","","120","","174.68","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Er3 Mn3 Ga2 Si","","- Er3 Ga2 Mn3 Si -","- Er3 Ga2 Mn3 Si -","- Er3 Ga2 Mn3 Si -","1","0.0833333","","Morozkin, A.V.","New R3 Mn3 Ga2 Si compounds","Journal of Alloys Compd.","2004","363","","L1","L2","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532930","6.875","","6.875","","4.189","","90","","90","","120","","171.469","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Tm3 Mn3 Ga2 Si","","- Ga2 Mn3 Si Tm3 -","- Ga2 Mn3 Si Tm3 -","- Ga2 Mn3 Si Tm3 -","1","0.0833333","","Morozkin, A.V.","New R3 Mn3 Ga2 Si compounds","Journal of Alloys Compd.","2004","363","","L1","L2","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532931","6.838","","6.838","","4.173","","90","","90","","120","","168.981","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Lu3 Mn3 Ga2 Si","","- Ga2 Lu3 Mn3 Si -","- Ga2 Lu3 Mn3 Si -","- Ga2 Lu3 Mn3 Si -","1","0.0833333","","Morozkin, A.V.","New R3 Mn3 Ga2 Si compounds","Journal of Alloys Compd.","2004","363","","L1","L2","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532932","4.229","","4.229","","9.933","","90","","90","","90","","177.646","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sm Ru2 Ge2","","- Ge2 Ru2 Sm -","- Ge2 Ru2 Sm -","- Ge4 Ru4 Sm2 -","2","0.0625","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532933","9.016","","9.016","","9.016","","90","","90","","90","","732.895","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Sm3 Ru4 Ge13","","- Ge13 Ru4 Sm3 -","- Ge13 Ru4 Sm3 -","- Ge26 Ru8 Sm6 -","2","0.0416667","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","158950","2020-10-21","18:00:00",""
"1532934","4.061","","4.178","","16.223","","90","","90","","90","","275.253","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Sm2 (Ru0.4 Ge0.6)2 Ge3.2","","- Ge4.4 Ru0.8 Sm2 -","- Ge4.4 Ru0.8 Sm2 -","- Ge8.8 Ru1.6 Sm4 -","2","0.25","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","158951","2020-10-21","18:00:00",""
"1532935","10.948","","10.839","","4.302","","90","","90","","123.23","","427.02","","","","","","","","","","","","","3","B 1 1 2/m","-B 2","12","","Sm2 Ru Ge2","","- Ge2 Ru Sm2 -","- Ge2 Ru Sm2 -","- Ge8 Ru4 Sm8 -","4","0.5","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532936","7.165","","4.476","","7.152","","90","","90","","90","","229.369","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sm Ru Ge","","- Ge Ru Sm -","- Ge Ru Sm -","- Ge4 Ru4 Sm4 -","4","0.5","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532938","5.62","","7.808","","13.567","","90","","90","","90","","595.333","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Sm3 Ru2 Ge2","","- Ge2 Ru2 Sm3 -","- Ge2 Ru2 Sm3 -","- Ge8 Ru8 Sm12 -","4","0.5","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","158956","2020-10-21","18:00:00",""
"1532940","7.557","","7.557","","7.557","","90","","90","","90","","431.567","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Sm Ru1.54 Ge0.46","","- Ge0.46 Ru1.54 Sm -","- Ge0.46 Ru1.54 Sm -","- Ge3.68 Ru12.32 Sm8 -","8","0.0416667","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532942","10.899","","8.139","","4.319","","90","","90","","109.29","","361.616","","","","","","","","","","","","","3","B 1 1 2/m","-B 2","12","","Sm3 Ru2 Ge4","","- Ge4 Ru2 Sm3 -","- Ge4 Ru2 Sm3 -","- Ge8 Ru4 Sm6 -","2","0.25","","Morozkin, A.V.; Seropegin, Yu.D.","Sm - Ru - Ge system at 1070 K","Journal of Alloys Compd.","2004","365","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532945","6.5909","","11.4135","","7.1235","","90","","90.502","","90","","535.846","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","K2 (Tb F6)","","- F6 K2 Tb -","- F6 K2 Tb -","- F24 K8 Tb4 -","4","0.5","","Josse, M.; Dubois, M.; El Ghozzi, M.; Andre, G.; Avignant, D.; Guillot, M.; Bouree, F.","Neutron diffraction study of the magnetic structures of one-dimensional M2 Tb F6 (M = Li, K, Rb) fluorides: frustration, incommensurability and magnetic interactions","Journal of Alloys Compd.","2004","374","","207","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532947","6.8298","","11.8385","","7.2013","","90","","91.358","","90","","582.095","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rb2 (Tb F6)","","- F6 Rb2 Tb -","- F6 Rb2 Tb -","- F24 Rb8 Tb4 -","4","0.5","","Josse, M.; Dubois, M.; El Ghozzi, M.; Guillot, M.; Avignant, D.; Bouree, F.; Andre, G.","Neutron diffraction study of the magnetic structures of one-dimensional M2 Tb F6 (M = Li, K, Rb) fluorides: frustration, incommensurability and magnetic interactions","Journal of Alloys Compd.","2004","374","","207","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532948","6.19288","","6.19288","","12.42323","","90","","90","","90","","476.453","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu1.05 In1.03 Te1.92 -","- Cu1.05 In1.03 Te1.92 -","- Cu4.2 In4.12 Te7.68 -","4","0.25","","Moustafa, A.M.; El-Sayad, E.A.; Sakr, G.B.","Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method","Crystal Research and Technology","2004","39","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532949","7.556","","7.556","","12.397","","90","","90","","120","","612.959","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Rb2 Al (Tb3 F16)","","- Al F16 Rb2 Tb3 -","- Al F16 Rb2 Tb3 -","- Al2 F32 Rb4 Tb6 -","2","0.0833333","","Josse, M.; Dubois, M.; El Ghozzi, M.; Avignant, D.","Synthesis and crystal structures of new mixed-valence terbium (III/IV) fluorides with a random distribution between Tb(3+) and Tb(4+)","Journal of Alloys Compd.","2004","374","","213","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532950","7.2479","","7.2479","","7.2479","","90","","90","","90","","380.747","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca2 Ir D5.12","","- Ca2 D5.12 Ir -","- Ca2 D5.124 Ir -","- Ca8 D20.496 Ir4 -","4","0.0208333","","Moyer, R.O.jr.; Toby, B.H.","Ca2 Ir D5: an order-disorder transition","Journal of Alloys Compd.","2004","363","","99","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532951","10.662","","10.662","","6.911","","90","","90","","90","","785.63","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Rb Al2 (Tb4 F22)","","- Al2 F22 Rb Tb4 -","- Al2 F22 Rb Tb4 -","- Al4 F44 Rb2 Tb8 -","2","0.0625","","Josse, M.; Dubois, M.; El Ghozzi, M.; Avignant, D.","Synthesis and crystal structures of new mixed-valence terbium(III/IV) fluorides with a random distribution between Tb(3+) and Tb(4+)","Journal of Alloys Compd.","2004","374","","213","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532952","5.0314","","5.0314","","7.4373","","90","","90","","90","","188.275","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca2 Ir D5.03","","- Ca2 D5.03 Ir -","- Ca2 D5.034 Ir -","- Ca4 D10.068 Ir2 -","2","0.0625","","Moyer, R.O.jr.; Toby, B.H.","Ca2 Ir D5: an order-disorder transition","Journal of Alloys Compd.","2004","363","","99","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532954","14.776","","8.468","","11.505","","90","","90","","90","","1439.54","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sm ((Re O4)3 (H2 O)3)","","- H6 O15 Re3 Sm -","- O15 Re3 Sm -","- O60 Re12 Sm4 -","4","1","","Mujica, C.; Cardoso-Gil, R.; Sanchez, V.; Llanos, J.; Schnelle, W.","Crystal structure and thermal stability of Sm (Re O4)3 (H2 O)3","Journal of Alloys Compd.","2004","364","","89","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532963","3.9027","","3.9027","","3.9027","","90","","90","","90","","59.442","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr (Fe0.71 Rh0.29 O3)","","- Fe0.71 O3 Rh0.29 Sr -","- Fe0.706 O3 Rh0.294 Sr -","- Fe0.706 O3 Rh0.294 Sr -","1","0.0208333","","Mwamuka, J.N.; Gemmill, W.R.; Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.","Crystal growth of new strontium iron rhodium oxides: Sr4 Fe0.73 Rh2.27 O9 and Sr Fe0.71 Rh0.29 O3","Journal of Alloys Compd.","2004","377","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532965","9.6091","","9.6091","","7.9448","","90","","90","","120","","635.3","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr4 (Fe0.73 Rh2.27 O9)","","- Fe0.73 O9 Rh2.27 Sr4 -","- Fe0.737333 O9 Rh2.26267 Sr4 -","- Fe2.212 O27 Rh6.788 Sr12 -","3","0.5","","Mwamuka, J.N.; Gemmill, W.R.; zur Loye, H.C.; Smith, M.D.; Stitzer, K.E.","Crystal growth of new strontium iron rhodium oxides: Sr4 Fe0.73 Rh2.27 O9 and Sr Fe0.71 Rh0.29 O3","Journal of Alloys Compd.","2004","377","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","158984","2020-10-21","18:00:00",""
"1532966","4.1018","","26.833","","16.023","","90","","90","","90","","1763.55","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","La5 In3 S9 O3","","- In3 La5 O3 S9 -","- In3 La5 O3 S9 -","- In12 La20 O12 S36 -","4","0.5","","Kabbour, H.; Cario, L.; Moelo, Y.; Meerschaut, A.","Synthesis, X-ray and optical characterizations of two new oxysulfides: La In S2 O and La5 In3 S9 O3","Journal of Solid State Chemistry","2004","177","","1053","1059","","","","","","","","","","","","","","","","","","","","","","has coordinates","158985","2020-10-21","18:00:00",""
"1532968","10.6978","","10.6978","","13.4936","","90","","90","","120","","1337.36","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na2 Sr (Si2 O6)","","- Na2 O6 Si2 Sr -","- Na2.00267 O6 Si2 Sr0.997333 -","- Na18.024 O54 Si18 Sr8.976 -","9","0.25","","Kahlenberg, V.","Preparation and crystal structure of Na2 Sr Si2 O6 - a cyclosilicate with perovskite-type features","Journal of Alloys Compd.","2004","366","","132","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532975","5.5193","","5.5131","","7.6135","","90","","90.295","","90","","231.664","","","","","","","","","","","","","4","P 1 2 1","P 2y","3","","Y Ba (Mn2 O6)","","- Ba Mn2 O6 Y -","- Ba Mn2 O6 Y -","- Ba2 Mn4 O12 Y2 -","2","1","","Nakajima, T.; Kageyama, H.; Ichihara, M.; Ohoyama, K.; Ueda, Y.; Yoshizawa, H.","Anomalous octaedral distortion and multiple phase transitions in the metal-ordered manganite Y Ba Mn2 O6","Journal of Solid State Chemistry","2004","177","","987","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532978","5.06406","","5.06406","","4.02828","","90","","90","","120","","89.464","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- La Ni4.75 Sn0.25 -","- La Ni4.751 Sn0.249 -","- La Ni4.751 Sn0.249 -","1","0.0416667","","Nakamura, Y.; Bowman, R.C.jr.; Akiba, E.","Strain formation and lattice parameter change in (La Ni4.75 Sn0.25) - H system during the initial activation process","Journal of Alloys Compd.","2004","373","","183","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532979","5.4918","","20.149","","5.4922","","90","","90.62","","90","","607.7","","","","","","","","","","","","","4","A 1 2/m 1","-A 2y","12","","Ba Tb2 (Mn2 O7)","","- Ba Mn2 O7 Tb2 -","- Ba Mn2 O7 Tb2 -","- Ba4 Mn8 O28 Tb8 -","4","0.5","","Kamegashira, N.; Satoh, H.; Meng Jian; Mikami, T.","Structural determination of a new phase of monoclinic Ba Tb2 Mn2 O7","Journal of Alloys Compd.","2004","374","","173","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532980","3.8037","","3.8712","","11.657","","90","","90","","90","","171.648","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Yb Ba2 Cu3 O6.96","","- Ba2 Cu3 O6.96 Yb -","- Ba2 Cu3 O6.961 Yb -","- Ba2 Cu3 O6.961 Yb -","1","0.125","","Nakane, T.; Liu, R.S.; Isawa, K.; Chen, J.M.; Yamauchi, H.; Karppinen, M.","Effect of Sr-for-Ba isovalent substitution on the local structure, hole distribution and magnetic irreversibility of Cu (Ba, Sr)2 Yb Cu2 O6.95","Journal of Solid State Chemistry","2004","177","","1925","1932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532982","3.8008","","3.858","","11.634","","90","","90","","90","","170.595","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Yb (Ba0.9 Sr0.1)2 Cu3 O6.97","","- Ba1.8 Cu3 O6.97 Sr0.2 Yb -","- Ba1.8 Cu3 O6.966 Sr0.2 Yb -","- Ba1.8 Cu3 O6.966 Sr0.2 Yb -","1","0.125","","Nakane, T.; Chen, J.M.; Isawa, K.; Liu, R.S.; Yamauchi, H.; Karppinen, M.","Effect of Sr-for-Ba isovalent substitution on the local structure, hole distribution and magnetic irreversibility of Cu (Ba, Sr)2 Yb Cu2 O6.95","Journal of Solid State Chemistry","2004","177","","1925","1932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532983","6.1822","","6.1822","","11.4526","","90","","90","","120","","379.071","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Dy (Mn O3)","","- Dy Mn O3 -","- Dy Mn O3 -","- Dy6 Mn6 O18 -","6","0.5","","Kamegashira, N.; Satoh, H.; Ashizuka, S.","Synthesis and crystal structure of hexagonal Dy Mn O3","Materials Science Forum","2004","449","","1045","1048","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532984","3.7868","","3.8554","","11.5904","","90","","90","","90","","169.216","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Yb (Ba0.7 Sr0.3)2 Cu3 O6.94","","- Ba1.4 Cu3 O6.94 Sr0.6 Yb -","- Ba1.4 Cu3 O6.939 Sr0.6 Yb -","- Ba1.4 Cu3 O6.939 Sr0.6 Yb -","1","0.125","","Nakane, T.; Isawa, K.; Liu, R.S.; Chen, J.M.; Yamauchi, H.; Karppinen, M.","Effect of Sr-for-Ba isovalent substitution on the local structure, hole distribution and magnetic irreversibility of Cu (Ba, Sr)2 Yb Cu2 O6.95","Journal of Solid State Chemistry","2004","177","","1925","1932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532988","2.831","","2.831","","10.9","","90","","90","","120","","75.655","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Na0.78 (Co O2)","","- Co Na0.78 O2 -","- Co Na0.78 O2 -","- Co2 Na1.56 O4 -","2","0.0833333","","Nakatsugawa, H.; Nagasawa, K.","Evidence for the two-dimensional hybridization in Na0.79 Co O2 and Na0.84 Co O2","Journal of Solid State Chemistry","2004","177","","1137","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532990","2.836","","2.836","","10.86","","90","","90","","120","","75.644","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Na0.84 (Co O2)","","- Co Na0.84 O2 -","- Co Na0.84 O2 -","- Co2 Na1.68 O4 -","2","0.0833333","","Nakatsugawa, H.; Nagasawa, K.","Evidence for the two-dimensional hybridization in Na0.79 Co O2 and Na0.84 Co O2","Journal of Solid State Chemistry","2004","177","","1137","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532992","12.4636","","12.4636","","12.4636","","90","","90","","90","","1936.11","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Ca2 Na Zn2 (V O4)3","","- Ca2 Na O12 V3 Zn2 -","- Ca2.001 Na0.999 O12 V3 Zn2 -","- Ca16.008 Na7.992 O96 V24 Zn16 -","8","0.0833333","","Nakatsuka, A.; Ikuta, Y.; Yoshiasa, A.; Iishi, K.","Single crystal X-ray diffraction study of the vanadate garnet Ca2 Na Zn2 V3 O12","Materials Research Bulletin","2004","39","","949","956","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532995","3.93855","","3.92433","","7.57344","","90","","90","","90","","117.056","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Dy Ba (Fe2 O5.013)","","- Ba Dy Fe2 O5.013 -","- Ba Dy Fe2 O5.013 -","- Ba Dy Fe2 O5.013 -","1","0.125","","Karen, P.","Chemistry and thermodynamics of the twin charge-ordering transitions in R Ba Fe2 O5+w","Journal of Solid State Chemistry","2004","177","","281","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532997","8.03833","","3.84648","","7.54026","","90","","90","","90","","233.139","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Dy Ba (Fe2 O5.013)","","- Ba Dy Fe2 O5.013 -","- Ba Dy Fe2 O5.013 -","- Ba2 Dy2 Fe4 O10.026 -","2","0.25","","Karen, P.","Chemistry and thermodynamics of the twin charge-ordering transitions in R Ba Fe2 O5+w","Journal of Solid State Chemistry","2004","177","","281","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532999","8.04527","","3.85127","","7.5468","","90","","90","","90","","233.834","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Dy Ba (Fe2 O4.996)","","- Ba Dy Fe2 O4.996 -","- Ba Dy Fe2 O5 -","- Ba2 Dy2 Fe4 O10 -","2","0.25","","Karen, P.","Chemistry and thermodynamics of the twin charge-ordering transitions in R Ba Fe2 O5+w","Journal of Solid State Chemistry","2004","177","","281","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533001","3.771","","8.159","","15.2709","","90","","90","","90","","469.849","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Ba2 Y2 (Mn4 O11)","","- Ba2 Mn4 O11 Y2 -","- Ba2 Mn4 O11 Y2 -","- Ba4 Mn8 O22 Y4 -","2","0.125","","Karppinen, M.; Okamoto, H.; Motohashi, R.; Fjellvag, H.; Yamauchi, H.","Oxygen and cation ordered perovskite, Ba2 Y2 Mn4 O11","Journal of Solid State Chemistry","2004","177","","2122","2128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533003","10.243","","10.243","","10.243","","90","","90","","90","","1074.69","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","(Rb0.79 (N H4)0.21)2 (Te Cl6)","","- Cl6 H1.68 N0.42 Rb1.58 Te -","- Cl6 H1.704 N0.426 Rb1.574 Te -","- Cl24 H6.816 N1.704 Rb6.296 Te4 -","4","0.0208333","","Karray, R.; Ben Hassen, R.; Cisarova, I.; Kabadou, A.; Ben Salah, A.","Structure of rubidium - ammonium hexachlorotellurate (Rb0.8 (N H4)0.2)2 Te Cl6 at room and low temperatures","Journal of Alloys Compd.","2004","377","","85","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533006","9.376","","10.516","","8.062","","90","","90","","90","","794.897","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Zr Rh Ge2","","- Ge2 Rh Zr -","- Ge2 Rh Zr -","- Ge24 Rh12 Zr12 -","12","1.5","","Kasahi, M.; Abe, S.; Taniguchi, T.; Ozawa, T.; Nagata, Y.; Samata, H.","Superconductivity of M Rh Ge2 (M = Zr, Hf)","Journal of Alloys Compd.","2004","368","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533018","3.99476","","10.2983","","5.7085","","90","","90","","90","","234.843","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y Al Si","","- Al Si Y -","- Al Si Y -","- Al4 Si4 Y4 -","4","0.25","","Pukas, S.; Lutsyshyn, Yu.; Manyako, M.; Gladyshevskii, E.I.","Crystal structures of the R Al Si and R Al Ge compounds","Journal of Alloys Compd.","2004","367","","162","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533019","9.0429","","9.0429","","9.0429","","90","","90","","90","","739.474","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Ca0.1 Co4 Sb12 -","- Ca0.1 Co4 Sb12 -","- Ca0.2 Co8 Sb24 -","2","0.0416667","","Puyet, M.; Lenoir, B.; Dauscher, A.; Clarke, S.J.; Weisbecker, P.","Synthesis and crystal structure of Cax Co4 Sb12 skutterudites","Journal of Solid State Chemistry","2004","177","","2138","2143","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533030","4.6604","","4.9603","","17.1433","","90","","90","","90","","396.301","","","","","","","","","","","","","4","P c n b","-P 2b 2ac","60","","Mn V Sb O6","","- Mn O6 Sb V -","- Mn O6 Sb V -","- Mn4 O24 Sb4 V4 -","4","0.5","","Rambert, L.; Bordet, P.; Sulpice, A.; Strobel, P.","Crystal growth and structure of a new manganese vanado-antimonate Mn V Sb O6","Journal of Solid State Chemistry","2004","177","","268","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533031","8.135","","8.135","","8.135","","90","","90","","90","","538.36","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 (Fe W O6)","","- Ba2 Fe O6 W -","- Ba2 Fe O6 W -","- Ba8 Fe4 O24 W4 -","4","0.0208333","","Rammeh, N.; Bramnik, K.G.; Ehrenberg, H.; Stahl, B.; Cheikhrouhou, A.; Fuess, H.","Crystal structure and magnetic properties of Mo-substituted 'Ba2 (Fe, W)2 O6' double perovskites: a synchrotron diffraction, magnetization and Mossbauer study","Journal of Alloys Compd.","2004","363","","24","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533032","8.118","","8.118","","8.118","","90","","90","","90","","534.992","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba2 (Fe W0.5 Mo0.5 O6)","","- Ba2 Fe Mo0.5 O6 W0.5 -","- Ba2 Fe Mo0.5 O6 W0.5 -","- Ba8 Fe4 Mo2 O24 W2 -","4","0.0208333","","Rammeh, N.; Bramnik, K.G.; Ehrenberg, H.; Stahl, B.; Cheikhrouhou, A.; Fuess, H.","Crystal structure and magnetic properties of Mo-substituted 'Ba2 (Fe, W)2 O6' double perovskites: a synchrotron diffraction, magnetization and Mossbauer study","Journal of Alloys Compd.","2004","363","","24","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533033","8.069","","8.069","","8.069","","90","","90","","90","","525.363","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 (Fe Mo O6)","","- Ba2 Fe Mo O6 -","- Ba2 Fe Mo O6 -","- Ba8 Fe4 Mo4 O24 -","4","0.0208333","","Rammeh, N.; Bramnik, K.G.; Fuess, H.; Cheikhrouhou, A.; Ehrenberg, H.; Stahl, B.","Crystal structure and magnetic properties of Mo-substituted 'Ba2 (Fe, W)2 O6' double perovskites: a synchrotron diffraction, magnetization and Mossbauer study","Journal of Alloys Compd.","2004","363","","24","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533034","8.116","","8.116","","8.116","","90","","90","","90","","534.597","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 (Fe (Fe0.2 W0.8) O6)","","- Ba2 Fe1.2 O6 W0.8 -","- Ba2 Fe1.2 O6 W0.8 -","- Ba8 Fe4.8 O24 W3.2 -","4","0.0208333","","Rammeh, N.; Bramnik, K.G.; Ehrenberg, H.; Stahl, B.; Fuess, H.; Cheikhrouhou, A.","Crystal structure and magnetic properties of Mo-substituted 'Ba2 (Fe, W)2 O6' double perovskites: a synchrotron diffraction, magnetization and Mossbauer study","Journal of Alloys Compd.","2004","363","","24","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","159117","2020-10-21","18:00:00",""
"1533046","6.3944","","7.9562","","9.3643","","105.133","","108.353","","101.637","","415.012","","","","","","","","","","","","","4","P -1","-P 1","2","","Na0.122 Fe7 (P O4)6","","- Fe7 Na0.122 O24 P6 -","- Fe7 Na0.122 O24 P6 -","- Fe7 Na0.122 O24 P6 -","1","0.5","","Redhammer, G.J.; Roth, G.; Tippelt, G.; Lottermoser, W.; Bernroider, M.; Amthauer, G.","The mixed-valence iron compound Na0.1 Fe7 (P O4)6: crystal structure and (57)Fe Mossbauer spectroscopy between 80 and 295 K","Journal of Solid State Chemistry","2004","177","","1607","1618","","","","","","","","","","","","","","","","","","","","","","has coordinates","159129","2020-10-21","18:00:00",""
"1533047","12.3397","","8.6976","","4.8856","","90","","95.727","","90","","521.734","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu2 Sc2 (Ge4 O13)","","- Cu2 Ge4 O13 Sc2 -","- Cu2 Ge4 O13 Sc2 -","- Cu4 Ge8 O26 Sc4 -","2","0.5","","Redhammer, G.J.; Roth, G.","Cu2 Sc2 Ge4 O13, a novel germanate isotypic with the quasi-1D compound Cu2 Fe2 Ge4 O13 between 100 and 298 K","Journal of Solid State Chemistry","2004","177","","2714","2725","","","","","","","","","","","","","","","","","","","","","","has coordinates","159130","2020-10-21","18:00:00",""
"1533049","6.7074","","6.7074","","6.7074","","90","","90","","90","","301.761","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K (B D4)","","- B D4 K -","- B D4 K -","- B4 D16 K4 -","4","0.0208333","","Renaudin, G.; Yvon, K.; Hagemann, H.; Gomes, S.; Keller, L.","Structural and spectroscopic studies on the alkali borohydrides M B H4 (M = Na, K, Rb, Cs)","Journal of Alloys Compd.","2004","375","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533050","4.6836","","4.6836","","6.5707","","90","","90","","90","","144.136","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","K (B D4)","","- B D4 K -","- B D4 K -","- B2 D8 K2 -","2","0.125","","Renaudin, G.; Gomes, S.; Keller, L.; Hagemann, H.; Yvon, K.","Structural and spectroscopic studies on the alkali borohydrides M B H4 (M = Na, K, Rb, Cs)","Journal of Alloys Compd.","2004","375","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533051","7.0156","","7.0156","","7.0156","","90","","90","","90","","345.298","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rb (B D4)","","- B D4 Rb -","- B D4 Rb -","- B4 D16 Rb4 -","4","0.0208333","","Renaudin, G.; Keller, L.; Gomes, S.; Hagemann, H.; Yvon, K.","Structural and spectroscopic studies on the alkali borohydrides M B H4 (M = Na, K, Rb, Cs)","Journal of Alloys Compd.","2004","375","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533052","7.4061","","7.4061","","7.4061","","90","","90","","90","","406.227","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs (B D4)","","- B Cs D4 -","- B Cs D4 -","- B4 Cs4 D16 -","4","0.0208333","","Renaudin, G.; Hagemann, H.; Gomes, S.; Keller, L.; Yvon, K.","Structural and spectroscopic studies on the alkali borohydrides M B H4 (M = Na, K, Rb, Cs)","Journal of Alloys Compd.","2004","375","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533053","3.903","","3.903","","15.634","","90","","90","","120","","206.252","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ni2 Sb Te2 -","- Ni2 Sb Te2 -","- Ni4 Sb2 Te4 -","2","0.0833333","","Reynolds, T.K.; DiSalvo, F.J.; Kelley, R.F.","Electronic transport and magnetic properties of a new nickel antimonide telluride, Ni2 Sb Te2","Journal of Alloys Compd.","2004","366","","136","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533054","9.7126","","13.3824","","9.6141","","90","","90","","90","","1249.62","","","","","","","","","","","","","3","P n c a","-P 2a 2n","60","","In2 (W O4)3","","- In2 O12 W3 -","- In2 O12 W3 -","- In8 O48 W12 -","4","0.5","","Richard, A.P.; Edwards, D.D.","Subsolidus phase relations and crystal structures of the mixed-oxide phases in the (In2 O3)-(W O3) system","Journal of Solid State Chemistry","2004","177","","2740","2748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533055","16.406","","9.663","","19.099","","90","","125.411","","90","","2467.7","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","In2 (W O4)3","","- In2 O12 W3 -","- In2 O12 W3 -","- In16 O96 W24 -","8","2","","Richard, A.P.; Edwards, D.D.","Subsolidus phase relations and crystal structures of the mixed-oxide phases in the (In2 O3)-(W O3) system","Journal of Solid State Chemistry","2004","177","","2740","2748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533058","10.762","","10.762","","5.796","","90","","90","","90","","671.296","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Nd2 Os3 Si5 -","- Nd2 Os3 Si5 -","- Nd8 Os12 Si20 -","4","0.25","","Rizzoli, C.; Salamakha, P.S.; Sologub, O.L.; Belletti, D.; Goncalves, A.P.; Almeida, M.","X-ray single-crystal investigation of rare earth osmium silicides","Journal of Alloys Compd.","2004","363","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533059","4.1678","","4.1678","","9.901","","90","","90","","90","","171.986","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Pr Os2 Si2","","- Os2 Pr Si2 -","- Os2 Pr Si2 -","- Os4 Pr2 Si4 -","2","0.0625","","Rizzoli, C.; Salamakha, P.S.; Almeida, M.; Sologub, O.L.; Goncalves, A.P.; Belletti, D.","X-ray single-crystal investigation of rare earth osmium silicides","Journal of Alloys Compd.","2004","363","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533060","4.173","","4.173","","9.797","","90","","90","","90","","170.604","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ce (Ru0.6 Os0.4)2 Si2","","- Ce Os0.8 Ru1.2 Si2 -","- Ce Os0.8 Ru1.2 Si2 -","- Ce2 Os1.6 Ru2.4 Si4 -","2","0.0625","","Rizzoli, C.; Almeida, M.; Sologub, O.L.; Salamakha, P.S.; Belletti, D.; Goncalves, A.P.","X-ray single-crystal investigation of rare earth osmium silicides","Journal of Alloys Compd.","2004","363","","217","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533061","21.7484","","21.7484","","21.7484","","90","","90","","90","","10286.8","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","(U0.908 Ce0.092)4 O8.937","","- Ce0.368 O8.937 U3.632 -","- Ce0.3675 O8.9375 U3.6325 -","- Ce23.52 O572 U232.48 -","64","1.33333","","Rocaniere, C.; Laval, J.P.; Dehaudt, P.; Gaudreau, B.; Chotard, A.; Suard, E.","Structural study of (U0.9 Ce0.1)4 O9-d, an anion-excess fluorite superstructure of U4 O9-d type","Journal of Solid State Chemistry","2004","177","","1758","1767","","","","","","","","","","","","","","","","","","","","","","has coordinates","159145","2020-10-21","18:00:00",""
"1533065","8.23","","4.784","","16.502","","90","","110.2","","90","","609.76","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ge (H P O4)2 (H2 O)","","- Ge H4 O9 P2 -","- Ge O9 P2 -","- Ge4 O36 P8 -","4","1","","Romano, R.; Ruiz, A.I.; Alves, O.L.","Multiple-step preparation and physicochemical characterization of crystalline alpha-germanium hydrogenphosphate","Journal of Solid State Chemistry","2004","177","","1520","1528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533066","9.635","","8.615","","4.804","","90","","90","","90","","398.759","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Mg3 Cr H6","","- Cr H6 Mg3 -","- Cr Mg3 -","- Cr4 Mg12 -","4","0.5","","Ronnebro, E.; Kyoi, D.; Blomqvist, H.; Sakai, T.; Noreus, D.","Structural characterization of Mg3 Cr H6 - a new high-pressure phase synthesized in a multi-anvil cell at 8 GPa","Journal of Alloys Compd.","2004","368","","279","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533068","5.2294","","10.514","","5.1712","","97.096","","93.521","","96.476","","279.525","","","","","","","","","","","","","5","P -1","-P 1","2","","Hg ((C F3) S O3)","","- C F3 Hg O3 S -","- C F3 Hg O3 S -","- C2 F6 Hg2 O6 S2 -","2","1","","Rosdahl, J.; Persson, I.; Kloo, L.; Stahl, K.","On the solvation of the mercury(I) ion. A structural, vibration spectroscopic and quantum mechanical study","Inorganica Chimica Acta","2004","357","","2624","2634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533069","5.16098","","5.30102","","7.34181","","90","","90","","90","","200.861","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Y (Al O3)","","- Al O3 Y -","- Al O3 Y -","- Al4 O12 Y4 -","4","0.5","","Ross, N.L.; Zhao, J.; Angel, R.J.","High-pressure single-crystal X-ray diffraction study of Y Al O3 perovskite","Journal of Solid State Chemistry","2004","177","","1276","1284","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533074","24.898","","24.898","","24.898","","90","","90","","90","","15434.5","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","(Cs45.3 Na46.7) (Al92 Si100 O384)","","- Al92 Cs45.3 Na46.7 O384 Si100 -","- Al91.9968 Cs45.2928 Na46.7168 O384 Si100.003 -","- Al91.9968 Cs45.2928 Na46.7168 O384 Si100.003 -","1","0.0104167","","Ryu Kum Sook; Seff, K.; Bae Myung Nam; Kim Yang","Further crystallographic confirmation that Cs(+) ions can occupy sodalite cavities and double six-rings. Crystal structure of fully dehydrated partially Cs(+)-exchanged zeolite X, (Cs45 Na47) (Si100 Al92 O384) - FAU","Microporous and Mesoporous Materials","2004","71","","65","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","159161","2020-10-21","18:00:00",""
"1533075","6.41","","15.18","","5.86","","90","","119.2","","90","","497.74","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ca (H P O4) (H2 O)2","","- Ca H5 O6 P -","- Ca H5 O6 P -","- Ca4 H20 O24 P4 -","4","1","","Sainz-Diaz, C.I.; Villacampa, A.; Otalora, F.","Crystallographic properties of the calcium phosphate mineral, brushite, by means of first principles calculations","American Mineralogist","2004","89","","307","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533079","4.471","","4.056","","8.272","","90","","102.28","","90","","146.575","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Pr Ru Si2 -","- Pr Ru Si2 -","- Pr2 Ru2 Si4 -","2","0.5","","Salamakha, P.S.; Sologub, O.L.; Rizzoli, C.; Belletti, D.; Protsyk, O.S.; Goncalves, A.P.; Almeida, M.","Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2 structure","Journal of Alloys Compd.","2004","368","","269","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533080","4.151","","4.057","","8.514","","90","","104.07","","90","","139.079","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Nd (Ru0.75 Ni0.25)0.8 Si2","","- Nd Ni0.2 Ru0.6 Si2 -","- Nd Ni0.2 Ru0.6 Si2 -","- Nd2 Ni0.4 Ru1.2 Si4 -","2","0.5","","Salamakha, P.S.; Rizzoli, C.; Sologub, O.L.; Protsyk, O.S.; Belletti, D.; Goncalves, A.P.; Almeida, M.","Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2 structure","Journal of Alloys Compd.","2004","368","","269","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533081","4.122","","4.058","","8.501","","90","","103.78","","90","","138.104","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Nd (Ru0.25 Ni0.75)0.9 Si2","","- Nd Ni0.675 Ru0.225 Si2 -","- Nd Ni0.675 Ru0.225 Si2 -","- Nd2 Ni1.35 Ru0.45 Si4 -","2","0.5","","Salamakha, P.S.; Rizzoli, C.; Almeida, M.; Sologub, O.L.; Belletti, D.; Goncalves, A.P.; Protsyk, O.S.","Pr Ru Si2 and Nd (Rux Ni1-x) Si2, monoclinic variants of the Ce Ni Si2 structure","Journal of Alloys Compd.","2004","368","","269","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533082","7.72","","7.739","","7.771","","90","","90","","90","","464.279","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Li0.18 La0.119) La0.483 (Ti O3)","","- La0.602 Li0.18 O3 Ti -","- La0.6015 Li0.18 O3 Ti -","- La4.812 Li1.44 O24 Ti8 -","8","0.5","","Sanz, J.; Fernandez, M.T.; Alonso, J.A.; Varez, A.","Structural changes produced during heating of the fast ion conductor Li0.18 La0.61 Ti O3. A neutron diffraction study","Journal of Solid State Chemistry","2004","177","","1157","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533083","7.731","","7.75","","7.787","","90","","90","","90","","466.56","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Li0.18 La0.118) La0.492 (Ti O3)","","- La0.61 Li0.18 O3 Ti -","- La0.609 Li0.18 O3 Ti -","- La4.872 Li1.44 O24 Ti8 -","8","0.5","","Sanz, J.; Varez, A.; Alonso, J.A.; Fernandez, M.T.","Structural changes produced during heating of the fast ion conductor Li0.18 La0.61 Ti O3. A neutron diffraction study","Journal of Solid State Chemistry","2004","177","","1157","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533084","7.748","","7.76","","7.806","","90","","90","","90","","469.332","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Li0.18 La0.12) La0.48 (Ti O3)","","- La0.6 Li0.18 O3 Ti -","- La0.599 Li0.18 O3 Ti -","- La4.792 Li1.44 O24 Ti8 -","8","0.5","","Sanz, J.; Varez, A.; Alonso, J.A.; Fernandez, M.T.","Structural changes produced during heating of the fast ion conductor Li0.18 La0.61 Ti O3. A neutron diffraction study","Journal of Solid State Chemistry","2004","177","","1157","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533085","7.756","","7.764","","7.815","","90","","90","","90","","470.6","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Li0.18 La0.121) La0.482 (Ti O3)","","- La0.603 Li0.18 O3 Ti -","- La0.6025 Li0.18 O3 Ti -","- La4.82 Li1.44 O24 Ti8 -","8","0.5","","Sanz, J.; Alonso, J.A.; Varez, A.; Fernandez, M.T.","Structural changes produced during heating of the fast ion conductor Li0.18 La0.61 Ti O3. A neutron diffraction study","Journal of Solid State Chemistry","2004","177","","1157","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533086","3.883","","3.883","","7.826","","90","","90","","90","","117.998","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Li0.18 La0.61 (Ti O3)","","- La0.61 Li0.18 O3 Ti -","- La0.6085 O3 Ti -","- La1.217 O6 Ti2 -","2","0.125","","Sanz, J.; Varez, A.; Alonso, J.A.; Fernandez, M.T.","Structural changes produced during heating of the fast ion conductor Li0.18 La0.61 Ti O3. A neutron diffraction study","Journal of Solid State Chemistry","2004","177","","1157","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533088","7.5594","","4.6605","","8.0496","","90","","90","","90","","283.592","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La Pt Sn -","- La Pt Sn -","- La4 Pt4 Sn4 -","4","0.5","","Divis, M.; Opahle, I.; Rusz, J.; Sechovsky, V.; Janousova, B.; Richter, M.","Electronic structure and lattice geometry of La Pt Sn","Journal of Alloys Compd.","2004","376","","28","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533098","11.23","","11.23","","20.7766","","90","","90","","120","","2269.16","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba4 Bi3 F17 -","- Ba4 Bi3 F17.0001 -","- Ba24 Bi18 F102.001 -","6","0.333333","","Dombrovski, E.N.; Serov, T.V.; Ardashnikova, E.I.; Abakumov, A.M.; Dolgikh, V.A.; van Tendeloo, G.","The structural investigation of Ba4 Bi3 F17","Journal of Solid State Chemistry","2004","177","","312","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533105","6.2797","","6.2797","","4.4423","","90","","90","","90","","175.18","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Li ((V O) (P O4))","","- Li O5 P V -","- Li O5 P V -","- Li2 O10 P2 V2 -","2","0.125","","Dupre, N.; Wallez, G.; Gaubicher, J.; Quarton, M.","Phase transition induced by lithium insertion in (alpha I)- and (alpha II)- (V O P O4)","Journal of Solid State Chemistry","2004","177","","28096","22902","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533106","5.76","","5.76","","18.273","","90","","90","","120","","525.032","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","((La0.42 Sr1.17) O0.96) ((Sr1.24 La0.76) (Ru0.96 Pt0.04) O6)","","- La1.18 O6.96 Pt0.04 Ru0.96 Sr2.41 -","- La1.182 O6.96 Pt0.04 Ru0.96 Sr2.41 -","- La3.546 O20.88 Pt0.12 Ru2.88 Sr7.23 -","3","0.0833333","","Ebbinghaus, S.G.","Crystal structure, oxidation state and magnetism of La1.2 Sr2.4 Ru O7 : a new member of the (A2 O) (An Bn-1 O3n) series of hexagonal perovskites","Journal of Solid State Chemistry","2004","177","","817","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","159208","2020-10-21","18:00:00",""
"1533120","10.2803","","10.2803","","10.2803","","90","","90","","90","","1086.47","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Na0.36 Y0.86) (Sb2 O6) O0.47","","- Na0.36 O6.47 Sb2 Y0.86 -","- Na0.36 O6.47 Sb2 Y0.86 -","- Na2.88 O51.76 Sb16 Y6.88 -","8","0.0416667","","El Haimouti, A.; El Ghozzi, M.; Zambon, D.; Avignant, D.; Leroux, F.; El Aatmani, M.; Daoud, M.","Synthesis, structural and physico-chemical characterization of new defect pyrochlore-type antimonates K0.42 Lny' Sb2 O6+z' and Na0.36 Lny Sb2 O6+z (0 < y, y', z, z'< 1; Ln = Y, Eu and Gd) prepared by soft chemistry route","Journal of Alloys Compd.","2004","363","","130","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","159222","2020-10-21","18:00:00",""
"1533121","10.2843","","10.2843","","10.2843","","90","","90","","90","","1087.74","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Na0.36 Eu0.82) (Sb2 O6) O0.41","","- Eu0.82 Na0.36 O6.41 Sb2 -","- Eu0.82 Na0.36 O6.41 Sb2 -","- Eu6.56 Na2.88 O51.28 Sb16 -","8","0.0416667","","El Haimouti, A.; Zambon, D.; Daoud, M.; Avignant, D.; Leroux, F.; El Ghozzi, M.; El Aatmani, M.","Synthesis, structural and physico-chemical characterization of new defect pyrochlore-type antimonates K0.42 Lny' Sb2 O6+z' and Na0.36 Lny Sb2 O6+z (0 < y, y', z, z'< 1; Ln = Y, Eu and Gd) prepared by soft chemistry route","Journal of Alloys Compd.","2004","363","","130","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","159223","2020-10-21","18:00:00",""
"1533122","10.2833","","10.2833","","10.2833","","90","","90","","90","","1087.42","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Na0.36 Gd0.8) (Sb2 O6) O0.38","","- Gd0.8 Na0.36 O6.38 Sb2 -","- Gd0.8 Na0.36 O6.38 Sb2 -","- Gd6.4 Na2.88 O51.04 Sb16 -","8","0.0416667","","El Haimouti, A.; El Aatmani, M.; Zambon, D.; El Ghozzi, M.; Leroux, F.; Daoud, M.; Avignant, D.","Synthesis, structural and physico-chemical characterization of new defect pyrochlore-type antimonates K0.42 Lny' Sb2 O6+z' and Na0.36 Lny Sb2 O6+z (0 < y, y', z, z'< 1; Ln = Y, Eu and Gd) prepared by soft chemistry route","Journal of Alloys Compd.","2004","363","","130","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","159224","2020-10-21","18:00:00",""
"1533123","10.28","","10.28","","10.28","","90","","90","","90","","1086.37","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(K0.42 Y0.78) (Sb2 O6) O0.38","","- K0.42 O6.38 Sb2 Y0.78 -","- K0.42 O6.38 Sb2 Y0.78 -","- K3.36 O51.04 Sb16 Y6.24 -","8","0.0416667","","El Haimouti, A.; Zambon, D.; El Ghozzi, M.; Daoud, M.; Avignant, D.; Leroux, F.; El Aatmani, M.","Synthesis, structural and physico-chemical characterization of new defect pyrochlore-type antimonates K0.42 Lny' Sb2 O6+z' and Na0.36 Lny Sb2 O6+z (0 < y, y', z, z'< 1; Ln = Y, Eu and Gd) prepared by soft chemistry route","Journal of Alloys Compd.","2004","363","","130","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","159225","2020-10-21","18:00:00",""
"1533124","10.2853","","10.2853","","10.2853","","90","","90","","90","","1088.06","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(K0.42 Eu0.74) (Sb2 O6) O0.32","","- Eu0.74 K0.42 O6.32 Sb2 -","- Eu0.74 K0.42 O6.32 Sb2 -","- Eu5.92 K3.36 O50.56 Sb16 -","8","0.0416667","","El Haimouti, A.; Avignant, D.; Zambon, D.; El Aatmani, M.; El Ghozzi, M.; Leroux, F.; Daoud, M.","Synthesis, structural and physico-chemical characterization of new defect pyrochlore-type antimonates K0.42 Lny' Sb2 O6+z' and Na0.36 Lny Sb2 O6+z (0 < y, y', z, z'< 1; Ln = Y, Eu and Gd) prepared by soft chemistry route","Journal of Alloys Compd.","2004","363","","130","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","159226","2020-10-21","18:00:00",""
"1533125","10.2833","","10.2833","","10.2833","","90","","90","","90","","1087.42","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(K0.42 Gd0.7) (Sb2 O6) O0.26","","- Gd0.7 K0.42 O6.26 Sb2 -","- Gd0.7 K0.42 O6.26 Sb2 -","- Gd5.6 K3.36 O50.08 Sb16 -","8","0.0416667","","El Haimouti, A.; Leroux, F.; Zambon, D.; Avignant, D.; El Ghozzi, M.; Daoud, M.; El Aatmani, M.","Synthesis, structural and physico-chemical characterization of new defect pyrochlore-type antimonates K0.42 Lny' Sb2 O6+z' and Na0.36 Lny Sb2 O6+z (0 < y, y', z, z'< 1; Ln = Y, Eu and Gd) prepared by soft chemistry route","Journal of Alloys Compd.","2004","363","","130","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","159227","2020-10-21","18:00:00",""
"1533142","9.782","","9.782","","7.083","","90","","90","","120","","586.953","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Na Nd9 (Ge O4)6 O2","","- Ge6 Na Nd9 O26 -","- Ge6 Na Nd9 O26 -","- Ge6 Na Nd9 O26 -","1","0.0833333","","Emirdag-Eanes, M.; Pennington, W.T.; Kolis, J.W.","Synthesis, structural characterization and magnetic properties of Na RE9 (Ge O4)6 O2 (RE = Nd, Pr)","Journal of Alloys Compd.","2004","366","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533143","9.802","","9.802","","7.116","","90","","90","","120","","592.101","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Na Pr9 (Ge O4)6 O2","","- Ge6 Na O26 Pr9 -","- Ge6 Na O26 Pr9 -","- Ge6 Na O26 Pr9 -","1","0.0833333","","Emirdag-Eanes, M.; Pennington, W.T.; Kolis, J.W.","Synthesis, structural characterization and magnetic properties of Na RE9 (Ge O4)6 O2 (RE = Nd, Pr)","Journal of Alloys Compd.","2004","366","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533144","9.96","","8.853","","5.486","","90","","106.403","","90","","464.045","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na (V Ge2 O6)","","- Ge2 Na O6 V -","- Ge2 Na O6 V -","- Ge8 Na4 O24 V4 -","4","0.5","","Emirdag-Eanes, M.; Kolis, J.W.","Hydrothermal synthesis, characterization and magnetic properties of Na V Ge2 O6 and Li V Ge2 O6","Materials Research Bulletin","2004","39","","1557","1567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533145","9.8508","","8.754","","5.395","","90","","108.35","","90","","441.575","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li (V Ge2 O6)","","- Ge2 Li O6 V -","- Ge2 Li O6 V -","- Ge8 Li4 O24 V4 -","4","1","","Emirdag-Eanes, M.; Kolis, J.W.","Hydrothermal synthesis, characterization and magnetic properties of Na V Ge2 O6 and Li V Ge2 O6","Materials Research Bulletin","2004","39","","1557","1567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533159","3.99155","","3.99155","","10.3285","","90","","90","","90","","164.559","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Tm Cu2 Ge2","","- Cu2 Ge2 Tm -","- Cu2 Ge2 Tm -","- Cu4 Ge4 Tm2 -","2","0.0625","","Fedyna, L.O.; Fedyna, M.F.; Bodak, O.I.; Tokaychuk, Ya.O.; Mokra, I.R.","Ternary system Tm - Cu- Ge: isothermal section of the phase diagram at 870 K and crystal structures of the compounds","Journal of Alloys Compd.","2004","367","","70","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533160","13.7407","","6.5995","","4.1368","","90","","90","","90","","375.132","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Tm6 Cu8 Ge8","","- Cu8 Ge8 Tm6 -","- Cu8 Ge8 Tm6 -","- Cu8 Ge8 Tm6 -","1","0.0625","","Fedyna, L.O.; Bodak, O.I.; Tokaychuk, Ya.O.; Fedyna, M.F.; Mokra, I.R.","Ternary system Tm - Cu- Ge: isothermal section of the phase diagram at 870 K and crystal structures of the compounds","Journal of Alloys Compd.","2004","367","","70","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","159267","2020-10-21","18:00:00",""
"1533161","4.42254","","4.42254","","7.0477","","90","","90","","120","","119.377","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Tm (Cu1.24 Ge0.76)","","- Cu1.24 Ge0.76 Tm -","- Cu1.24 Ge0.76 Tm -","- Cu2.48 Ge1.52 Tm2 -","2","0.0833333","","Fedyna, L.O.; Bodak, O.I.; Tokaychuk, Ya.O.; Fedyna, M.F.; Mokra, I.R.","Ternary system Tm - Cu- Ge: isothermal section of the phase diagram at 870 K and crystal structures of the compounds","Journal of Alloys Compd.","2004","367","","70","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533170","10.085","","10.085","","3.1218","","90","","90","","90","","317.51","","","","","","","","","","","","","4","I 4/m","-I 4","87","","(Cs0.79 Li0.21) (Ru4 O8)","","- Cs0.79 Li0.21 O8 Ru4 -","- Cs0.79 Li0.21 O8 Ru4 -","- Cs1.58 Li0.42 O16 Ru8 -","2","0.125","","Foo, M.L.; Siegrist, T.; Lee Weili; Lawes, G.; Ramirez, A.P.; Cava, R.J.; Ong, N.P.","Electronic characterization of alkali ruthenium hollandites: K Ru4 O8, Rb Ru4 O8 and Cs0.8 Li0.2 Ru4 O8","Materials Research Bulletin","2004","39","","1663","1670","","","","","","","","","","","","","","","","","","","","","","has coordinates","159281","2020-10-21","18:00:00",""
"1533173","6.0838","","10.965","","7.9385","","90","","90","","90","","529.568","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Tl2 (Se O4)","","- O4 Se Tl2 -","- O4 Se Tl2 -","- O16 Se4 Tl8 -","4","0.5","","Friese, K.; Goeta, A.E.; Leech, M.A.; Perez-Mato, J.M.; Howard, J.A.K.; Madariaga, G.; Breczewski, T.","The low-temperature structure of Tl2 Se O4 at 30 K","Journal of Solid State Chemistry","2004","177","","1127","1136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533174","9.9097","","9.9097","","7.4026","","90","","90","","120","","629.558","","","","","","","","","","","","","9","P -3","-P 3","147","","Ba5.886 (Ce0.59 Nd0.26 La0.15)2 Na2.34 (P O4)6 F (F0.41 Cl0.59)","","- Ba5.886 Ce1.18 Cl0.59 F1.41 La0.3 Na2.34 Nd0.52 O24 P6 -","- Ba5.886 Ce1.18 Cl0.59 F1.41 La0.3 Na2.34 Nd0.52 O24 P6 -","- Ba5.886 Ce1.18 Cl0.59 F1.41 La0.3 Na2.34 Nd0.52 O24 P6 -","1","0.166667","","Friis, H.; Balic-Zunic, T.; Pekov, I.V.; Petersen, O.V.","Kuannersuite-(Ce), Ba6 Na2 REE2 (P O4)6 F Cl, a new member of the apatite group, from the Ilimaussaq alkaline complex, South Greenland: description and crystal chemistry","Canadian Mineralogist","2004","42","","95","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","159286","2020-10-21","18:00:00",""
"1533176","6.07141","","6.04407","","8.5256","","90","","90","","90","","312.856","","","","","","","","","","","","","3","I b m m","-I 2c 2c","74","","Ba (Tb O3)","","- Ba O3 Tb -","- Ba O3 Tb -","- Ba4 O12 Tb4 -","4","0.25","","Fu, W.T.; Visser, D.; Knight, K.S.; Ijdo, D.J.W.","Temperature-induced phase transitions in Ba Tb O3","Journal of Solid State Chemistry","2004","177","","1667","1671","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533177","4.29692","","4.29692","","4.29692","","90","","90","","90","","79.336","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ba (Tb O3)","","- Ba O3 Tb -","- Ba O3 Tb -","- Ba O3 Tb -","1","0.0208333","","Fu, W.T.; Visser, D.; Knight, K.S.; Ijdo, D.J.W.","Temperature-induced phase transitions in Ba Tb O3","Journal of Solid State Chemistry","2004","177","","1667","1671","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533178","5.2552","","5.3025","","7.4489","","90","","90","","90","","207.569","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Gd0.95 Eu0.05) (Al O3)","","- Al Eu0.05 Gd0.95 O3 -","- Al Eu0.05 Gd0.95 O3 -","- Al4 Eu0.2 Gd3.8 O12 -","4","0.5","","Fu, W.T.; Zandbergen, H.W.; Ijdo, D.J.W.","On the red phosphor of nominal composition Gd0.77 Al1.23 Ox : Eu0.06 (x = 3.1)","Materials Research Bulletin","2004","39","","909","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533184","5.798","","5.798","","28.607","","90","","90","","120","","832.836","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba4 Ce (Mn3 O12)","","- Ba4 Ce Mn3 O12 -","- Ba4 Ce Mn3 O12 -","- Ba12 Ce3 Mn9 O36 -","3","0.0833333","","Fuentes, A.F.; Amador, U.; Boulahya, K.","Novel rare-earth-containing manganites Ba4 RE Mn3 O12 (RE = Ce, Pr) with 12R structure","Journal of Solid State Chemistry","2004","177","","714","720","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533185","5.7943","","5.7943","","28.5716","","90","","90","","120","","830.744","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba4 Pr (Mn3 O12)","","- Ba4 Mn3 O12 Pr -","- Ba4 Mn3 O12 Pr -","- Ba12 Mn9 O36 Pr3 -","3","0.0833333","","Fuentes, A.F.; Boulahya, K.; Amador, U.","Novel rare-earth-containing manganites Ba4 RE Mn3 O12 (RE = Ce, Pr)with 12R structure","Journal of Solid State Chemistry","2004","177","","714","720","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533186","10.567","","7.5845","","20.0954","","90","","95.506","","90","","1603.12","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rb3 H9 (P O4)4","","- H9 O16 P4 Rb3 -","- H9 O16 P4 Rb3 -","- H36 O64 P16 Rb12 -","4","0.5","","Fukami, T.; Chen, R.H.","Studies on a new Rb3 H9 (P O4)4 crystal","Crystal Research and Technology","2004","39","","131","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","159298","2020-10-21","18:00:00",""
"1533195","11.976","","11.976","","14.478","","90","","90","","90","","2076.5","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Pr12 Pt7 In","","- In Pr12 Pt7 -","- In Pr12 Pt7 -","- In4 Pr48 Pt28 -","4","0.125","","Galadzhun, Ya.V.; Pikul, A.P.; Zaremba, V.I.; Kal'ichak, Ya.M.; Davydov, V.M.; Stepien-Damm, J.; Kaczorowski, D.","R12 Pt7 In (R= Ce, Pr, Nd, Gd, Ho) - new derivatives of the (Gd3 Ga2)-type","Journal of Solid State Chemistry","2004","177","","17","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533196","11.369","","11.369","","14.462","","90","","90","","90","","1869.27","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ho12 Pt7 In","","- Ho12 In Pt7 -","- Ho12 In Pt7 -","- Ho48 In4 Pt28 -","4","0.125","","Galadzhun, Ya.V.; Zaremba, V.I.; Pikul, A.P.; Kal'ichak, Ya.M.; Davydov, V.M.; Stepien-Damm, J.; Kaczorowski, D.","R12 Pt7 In (R= Ce, Pr, Nd, Gd, Ho) - new derivatives of the (Gd3 Ga2)-type","Journal of Solid State Chemistry","2004","177","","17","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533199","9.655","","8.105","","8.456","","90","","90","","90","","661.714","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Rb2 (Mn F5 (H2 O))","","- F5 H2 Mn O Rb2 -","- F5 Mn O Rb2 -","- F20 Mn4 O4 Rb8 -","4","0.25","","Galicka, K.; Slodczyk, A.; Ratuszna, A.; Malecki, G.; Daniel, P.","Raman scattering and X-ray powder diffraction studies of hydrate layered perovskites: dirubidium aquapentafluoromanganate(III) and dipotassium aquapentafluoroferrate(III)","Materials Research Bulletin","2004","39","","1055","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533200","9.971","","8.045","","7.745","","90","","96.561","","90","","617.209","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2 (Fe F5 (H2 O))","","- F5 Fe H2 K2 O -","- F5 Fe K2 O -","- F20 Fe4 K8 O4 -","4","0.5","","Galicka, K.; Slodczyk, A.; Ratuszna, A.; Daniel, P.; Malecki, G.","Raman scattering and X-ray powder diffraction studies of hydrate layered perovskites: dirubidium aquapentafluoromanganate(III) and dipotassium aquapentafluoroferrate(III)","Materials Research Bulletin","2004","39","","1055","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533210","10.474","","10.474","","10.474","","90","","90","","90","","1149.05","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba7.96 Ga10 Si34.01 -","- Ba7.963 Ga9.9984 Si34.0102 -","- Ba7.963 Ga9.9984 Si34.0102 -","1","0.0208333","","Nataraj, D.; Nagao, J.","Structure and Raman scattering study on Ba8 Gax Si46-x (x = 10 and 16) type I clathrates","Journal of Solid State Chemistry","2004","177","","1905","1911","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533223","3.7189","","3.7189","","12.2944","","90","","90","","90","","170.034","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Na0.1 (V O)0.45 La (Ti O4) (H2 O)0.6","","- La O4 Ti V0.45 -","- La O4 Ti V0.45 -","- La2 O8 Ti2 V0.9 -","2","0.125","","Neiner, D.; Golub, V.; Wiley, J.B.","Synthesis and characterization of the new layered perovskite, Na0.10 (V O4)0.45 La Ti O4 * n(H2 O)","Materials Research Bulletin","2004","39","","1385","1392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533236","2.9071","","2.9071","","2.8371","","90","","90","","120","","20.765","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","(W0.9 Al0.1) C","","- C Al0.1 W0.9 -","- C Al0.098 W0.902 -","- C Al0.098 W0.902 -","1","0.0833333","","Yan, J.M.; Zhu, C.J.; Zhao, W.; Ma, X.F.; Tang, H.G.","Synthesis, crystal structure and density of (W1-x Alx) C","Journal of Solid State Chemistry","2004","177","","2265","2270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533237","2.9051","","2.9051","","2.8364","","90","","90","","120","","20.731","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","(W0.75 Al0.25) C","","- C Al0.25 W0.75 -","- C Al0.2496 W0.7504 -","- C Al0.2496 W0.7504 -","1","0.0833333","","Yan, J.M.; Ma, X.F.; Tang, H.G.; Zhao, W.; Zhu, C.J.","Synthesis, crystal structure and density of (W1-x Alx) C","Journal of Solid State Chemistry","2004","177","","2265","2270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533238","2.9065","","2.9065","","2.8397","","90","","90","","120","","20.775","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","(W0.51 Al0.49) C","","- C Al0.49 W0.51 -","- C Al0.4883 W0.5117 -","- C Al0.4883 W0.5117 -","1","0.0833333","","Yan, J.M.; Zhu, C.J.; Ma, X.F.; Tang, H.G.; Zhao, W.","Synthesis, crystal structure and density of (W1-x Alx) C","Journal of Solid State Chemistry","2004","177","","2265","2270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533239","2.9066","","2.9066","","2.8413","","90","","90","","120","","20.788","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","(W0.26 Al0.74) C","","- C Al0.74 W0.26 -","- C Al0.7366 W0.2634 -","- C Al0.7366 W0.2634 -","1","0.0833333","","Yan, J.M.; Tang, H.G.; Zhao, W.; Ma, X.F.; Zhu, C.J.","Synthesis, crystal structure and density of (W1-x Alx) C","Journal of Solid State Chemistry","2004","177","","2265","2270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533240","2.906","","2.906","","2.841","","90","","90","","120","","20.777","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","(W0.15 Al0.85) C","","- C Al0.85 W0.15 -","- C Al0.8522 W0.1478 -","- C Al0.8522 W0.1478 -","1","0.0833333","","Yan, J.M.; Ma, X.F.; Zhao, W.; Tang, H.G.; Zhu, C.J.","Synthesis, crystal structure and density of (W1-x Alx) C","Journal of Solid State Chemistry","2004","177","","2265","2270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533246","3.8529","","3.8529","","28.2247","","90","","90","","90","","418.991","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Sr2 (Ce1.5 Eu0.5) (Fe Cu2 O9.43)","","- Ce1.5 Cu2 Eu0.5 Fe O9.43 Sr2 -","- Ce1.5 Cu2.001 Eu0.5 Fe0.999 O9.43 Sr2 -","- Ce3 Cu4.002 Eu Fe1.998 O18.86 Sr4 -","2","0.0625","","Yang, L.T.; Liu, F.S.; Liang, J.K.; Liu, Q.L.; Luo, J.; Rao, G.H.","Synthesis, crystal structure and physical properties of Fe Sr2 (Ce3/2 Ln1/2) Cu2 O10-d (Ln = Eu, Gd and Tb)","Journal of Alloys Compd.","2004","373","","53","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533247","3.8477","","3.8477","","28.1991","","90","","90","","90","","417.482","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Sr2 (Ce1.5 Gd0.5) (Fe Cu2 O9.41)","","- Ce1.5 Cu2 Fe Gd0.5 O9.41 Sr2 -","- Ce1.5 Cu2.001 Fe0.999 Gd0.5 O9.41 Sr2 -","- Ce3 Cu4.002 Fe1.998 Gd O18.82 Sr4 -","2","0.0625","","Yang, L.T.; Liang, J.K.; Liu, F.S.; Liu, Q.L.; Luo, J.; Rao, G.H.","Synthesis, crystal structure and physical properties of Fe Sr2 (Ce3/2 Ln1/2) Cu2 O10-d (Ln = Eu, Gd and Tb)","Journal of Alloys Compd.","2004","373","","53","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533248","3.8364","","3.8364","","28.1329","","90","","90","","90","","414.059","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Sr2 (Ce1.5 Tb0.5) (Fe Cu2 O9.48)","","- Ce1.5 Cu2 Fe O9.48 Sr2 Tb0.5 -","- Ce1.5 Cu2.001 Fe0.999 O9.48 Sr2 Tb0.5 -","- Ce3 Cu4.002 Fe1.998 O18.96 Sr4 Tb -","2","0.0625","","Yang, L.T.; Liang, J.K.; Rao, G.H.; Liu, F.S.; Liu, Q.L.; Luo, J.","Synthesis, crystal structure and physical properties of Fe Sr2 (Ce3/2 Ln1/2) Cu2 O10-d (Ln = Eu, Gd and Tb)","Journal of Alloys Compd.","2004","373","","53","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533250","3.841","","3.841","","11.5731","","90","","90","","90","","170.741","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ru Sr2 Gd (Cu2 O7.96)","","- Cu2 Gd O7.96 Ru Sr2 -","- Cu2 Gd O7.96 Ru Sr2 -","- Cu2 Gd O7.96 Ru Sr2 -","1","0.0625","","Yang, L.T.; Liang, J.K.; Liu, Q.L.; Song, G.B.; Jin, C.Q.; Luo, J.; Feng, X.M.; Liu, F.S.; Rao, G.H.","A systematic study on the crystal structure and properties of Ru Sr2 R Cu2 O8-d (R = Gd, Tb, Dy, Y, Ho, Er)","Journal of Solid State Chemistry","2004","177","","1072","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533251","3.8368","","3.8368","","11.5545","","90","","90","","90","","170.094","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ru Sr2 Tb (Cu2 O7.72)","","- Cu2 O7.72 Ru Sr2 Tb -","- Cu2 O7.72 Ru Sr2 Tb -","- Cu2 O7.72 Ru Sr2 Tb -","1","0.0625","","Yang, L.T.; Liang, J.K.; Luo, J.; Jin, C.Q.; Liu, Q.L.; Rao, G.H.; Feng, X.M.; Liu, F.S.; Song, G.B.","A systematic study on the crystal structure and properties of Ru Sr2 R Cu2 O8-d (R = Gd, Tb, Dy, Y, Ho, Er)","Journal of Solid State Chemistry","2004","177","","1072","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533252","3.8309","","3.8309","","11.5404","","90","","90","","90","","169.365","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ru Sr2 Dy (Cu2 O7.84)","","- Cu2 Dy O7.84 Ru Sr2 -","- Cu2 Dy O7.84 Ru Sr2 -","- Cu2 Dy O7.84 Ru Sr2 -","1","0.0625","","Yang, L.T.; Luo, J.; Liang, J.K.; Song, G.B.; Jin, C.Q.; Feng, X.M.; Liu, Q.L.; Rao, G.H.; Liu, F.S.","A systematic study on the crystal structure and properties of Ru Sr2 R Cu2 O8-d (R = Gd, Tb, Dy, Y, Ho, Er)","Journal of Solid State Chemistry","2004","177","","1072","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533253","3.8275","","3.8275","","11.5326","","90","","90","","90","","168.95","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ru Sr2 Y (Cu2 O7.76)","","- Cu2 O7.76 Ru Sr2 Y -","- Cu2 O7.76 Ru Sr2 Y -","- Cu2 O7.76 Ru Sr2 Y -","1","0.0625","","Yang, L.T.; Rao, G.H.; Liu, Q.L.; Liang, J.K.; Jin, C.Q.; Song, G.B.; Feng, X.M.; Liu, F.S.; Luo, J.","A systematic study on the crystal structure and properties of Ru Sr2 R Cu2 O8-d (R = Gd, Tb, Dy, Y, Ho, Er)","Journal of Solid State Chemistry","2004","177","","1072","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533254","3.8209","","3.8209","","11.5155","","90","","90","","90","","168.118","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ru Sr2 Er (Cu2 O7.84)","","- Cu2 Er O7.84 Ru Sr2 -","- Cu2 Er O7.84 Ru Sr2 -","- Cu2 Er O7.84 Ru Sr2 -","1","0.0625","","Yang, L.T.; Liang, J.K.; Liu, Q.L.; Jin, C.Q.; Feng, X.M.; Rao, G.H.; Song, G.B.; Luo, J.; Liu, F.S.","A systematic study on the crystal structure and properties of Ru Sr2 R Cu2 O8-d (R = Gd, Tb, Dy, Y, Ho, Er)","Journal of Solid State Chemistry","2004","177","","1072","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533269","5.548","","7.814","","5.529","","90","","90","","90","","239.694","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.9 Pb0.1) (Mn O3)","","- Mn O3 Pb0.1 Pr0.9 -","- Mn O3 Pb0.1 Pr0.9 -","- Mn4 O12 Pb0.4 Pr3.6 -","4","0.5","","Yin Rizhu; Park Jong Wook; Yo Chul Hyun; Oh Seung Keun; Choi Hannim","Structural, magnetic and transport properties of the negative magnetoresistive Pr1-x Pbx Mn O3-y alloys","Materials Chemistry and Physics","2004","86","","137","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533270","5.535","","7.836","","5.528","","90","","90","","90","","239.762","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.8 Pb0.2) (Mn O3)","","- Mn O3 Pb0.2 Pr0.8 -","- Mn O3 Pb0.2 Pr0.8 -","- Mn4 O12 Pb0.8 Pr3.2 -","4","0.5","","Yin Rizhu; Park Jong Wook; Choi Hannim; Oh Seung Keun; Yo Chul Hyun","Structural, magnetic and transport properties of the negative magnetoresistive Pr1-x Pbx Mn O3-y alloys","Materials Chemistry and Physics","2004","86","","137","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533271","24.7578","","8.4779","","4.8827","","90","","90","","90","","1024.85","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","(Sr0.976 Eu0.024 O)4 (Al2 O3)7","","- Al14 Eu0.096 O25 Sr3.904 -","- Al14 Eu0.0948 O25 Sr3.9052 -","- Al28 Eu0.1896 O50 Sr7.8104 -","2","0.25","","Yuan Zhaoxin; Chang Chengkang; Mao Dali","Rietveld analysis for Eu(2+) doped 4(Sr O) * 7(Al2 O3) and its luminescent properties","Journal of Alloys Compd.","2004","368","","274","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","159407","2020-10-21","18:00:00",""
"1533277","4.778","","4.778","","18.401","","90","","90","","120","","363.801","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Zr Li4 Ge2","","- Ge2 Li4 Zr -","- Ge2 Li4 Zr -","- Ge6 Li12 Zr3 -","3","0.0833333","","Zatorska, G.M.; Pavlyuk, V.V.; Davydov, V.M.","Phase equilibria and crystal structures of the compounds in the Zr - Li - (Ge, Pb) systems at 470 K","Journal of Alloys Compd.","2004","367","","80","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533278","3.884","","3.613","","7.716","","90","","103.5","","90","","105.286","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Zr2 (Li0.49 Ge0.51)","","- Ge0.51 Li0.49 Zr2 -","- Ge0.51 Li0.49 Zr2 -","- Ge1.02 Li0.98 Zr4 -","2","0.5","","Zatorska, G.M.; Pavlyuk, V.V.; Davydov, V.M.","Phase equilibria and crystal structures of the compounds in the Zr - Li - (Ge, Pb) systems at 470 K","Journal of Alloys Compd.","2004","367","","80","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","159414","2020-10-21","18:00:00",""
"1533279","2.9679","","2.9679","","4.7626","","90","","90","","120","","36.331","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","Zr (Li0.59 Pb0.41)","","- Li0.59 Pb0.41 Zr -","- Li0.59 Pb0.41 Zr -","- Li0.59 Pb0.41 Zr -","1","0.0833333","","Zatorska, G.M.; Pavlyuk, V.V.; Davydov, V.M.","Phase equilibria and crystal structures of the compounds in the Zr - Li - (Ge, Pb) systems at 470 K","Journal of Alloys Compd.","2004","367","","80","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533280","3.4313","","3.4313","","3.4313","","90","","90","","90","","40.4","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Zr (Li0.47 Pb0.53)","","- Li0.47 Pb0.53 Zr -","- Li0.47 Pb0.53 Zr -","- Li0.47 Pb0.53 Zr -","1","0.0208333","","Zatorska, G.M.; Pavlyuk, V.V.; Davydov, V.M.","Phase equilibria and crystal structures of the compounds in the Zr - Li - (Ge, Pb) systems at 470 K","Journal of Alloys Compd.","2004","367","","80","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533287","7.097","","10.659","","4.471","","90","","90","","90","","338.217","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Er Cu Cd2","","- Cd2 Cu Er -","- Cd2 Cu Er -","- Cd8 Cu4 Er4 -","4","0.25","","Zelinska, O.Ya.; Pavlyuk, V.V.; Solokha, P.G.","New intermetallic compounds with the Er Cu Cd2 type of structure","Journal of Alloys Compd.","2004","367","","176","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533288","5.4843","","5.4843","","13.3594","","90","","90","","120","","347.985","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.6 Sr0.4) (Mn O3)","","- La0.6 Mn O3 Sr0.4 -","- La0.6 Mn O3 Sr0.4 -","- La3.6 Mn6 O18 Sr2.4 -","6","0.166667","","Zemni, S.; Cherif, K.; Dhahri, Ja.; Ghedira, M.; Oumezzine, M.; Vincent, H.; Dhahri, J.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533289","5.4832","","5.4832","","13.3438","","90","","90","","120","","347.439","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.57 Pr0.03 Sr0.4) (Mn O3)","","- La0.57 Mn O3 Pr0.03 Sr0.4 -","- La0.57 Mn O3 Pr0.03 Sr0.4 -","- La3.42 Mn6 O18 Pr0.18 Sr2.4 -","6","0.166667","","Zemni, S.; Dhahri, Ja.; Oumezzine, M.; Cherif, K.; Dhahri, J.; Vincent, H.; Ghedira, M.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533291","5.4801","","5.4801","","13.3283","","90","","90","","120","","346.643","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.42 Pr0.18 Sr0.4) (Mn O3)","","- La0.42 Mn O3 Pr0.18 Sr0.4 -","- La0.42 Mn O3 Pr0.18 Sr0.4 -","- La2.52 Mn6 O18 Pr1.08 Sr2.4 -","6","0.166667","","Zemni, S.; Dhahri, Ja.; Cherif, K.; Dhahri, J.; Oumezzine, M.; Vincent, H.; Ghedira, M.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533292","5.4757","","5.4757","","13.3128","","90","","90","","120","","345.684","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.3 Pr0.3 Sr0.4) (Mn O3)","","- La0.3 Mn O3 Pr0.3 Sr0.4 -","- La0.3 Mn O3 Pr0.3 Sr0.4 -","- La1.8 Mn6 O18 Pr1.8 Sr2.4 -","6","0.166667","","Zemni, S.; Dhahri, Ja.; Cherif, K.; Dhahri, J.; Oumezzine, M.; Ghedira, M.; Vincent, H.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533293","5.4627","","7.6742","","5.4922","","90","","90","","90","","230.243","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.18 Pr0.42 Sr0.4) (Mn O3)","","- La0.18 Mn O3 Pr0.42 Sr0.4 -","- La0.18 Mn O3 Pr0.42 Sr0.4 -","- La0.72 Mn4 O12 Pr1.68 Sr1.6 -","4","0.5","","Zemni, S.; Cherif, K.; Dhahri, Ja.; Oumezzine, M.; Dhahri, J.; Ghedira, M.; Vincent, H.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533294","5.4544","","7.6712","","5.4868","","90","","90","","90","","229.578","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.06 Pr0.54 Sr0.4) (Mn O3)","","- La0.06 Mn O3 Pr0.54 Sr0.4 -","- La0.06 Mn O3 Pr0.54 Sr0.4 -","- La0.24 Mn4 O12 Pr2.16 Sr1.6 -","4","0.5","","Zemni, S.; Cherif, K.; Dhahri, Ja.; Ghedira, M.; Dhahri, J.; Vincent, H.; Oumezzine, M.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533295","3.82526","","3.82526","","3.82526","","90","","90","","90","","55.974","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr ((Mn0.82 Ga0.18) O2.868)","","- Ga0.18 Mn0.82 O2.868 Sr -","- Ga0.181 Mn0.819 O2.868 Sr -","- Ga0.181 Mn0.819 O2.868 Sr -","1","0.0208333","","Caspi, E.N.; Avdeev, M.; Jorgensen, J.D.; Short, S.; Chmaissem, O.; Dabrowski, B.; Mais, J.; Kolesnik, S.","Synthesis, structure and properties of randomly mixed and layer-ordered Sr Mn1-x Gax O3-d perovskites","Journal of Solid State Chemistry","2004","177","","1456","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533296","5.4483","","7.6681","","5.4786","","90","","90","","90","","228.886","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Pr0.6 Sr0.4) (Mn O3)","","- Mn O3 Pr0.6 Sr0.4 -","- Mn O3 Pr0.6 Sr0.4 -","- Mn4 O12 Pr2.4 Sr1.6 -","4","0.5","","Zemni, S.; Dhahri, Ja.; Cherif, K.; Dhahri, J.; Vincent, H.; Oumezzine, M.; Ghedira, M.","The effect of cation radii on structural, magnetic and electrical properties of doped manganites La0.6-x Prx Sr0.4 Mn O3","Journal of Solid State Chemistry","2004","177","","2387","2393","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533297","3.89045","","3.89045","","3.89045","","90","","90","","90","","58.884","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr ((Mn0.76 Ga0.24) O2.5)","","- Ga0.24 Mn0.76 O2.5 Sr -","- Ga0.24 Mn0.76 O2.499 Sr -","- Ga0.24 Mn0.76 O2.499 Sr -","1","0.0208333","","Caspi, E.N.; Avdeev, M.; Short, S.; Jorgensen, J.D.; Kolesnik, S.; Dabrowski, B.; Chmaissem, O.; Mais, J.","Synthesis, structure and properties of randomly mixed and layer-ordered Sr Mn1-x Gax O3-d perovskites","Journal of Solid State Chemistry","2004","177","","1456","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533298","7.7858","","7.7858","","11.5054","","90","","90","","90","","697.442","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Sm Co9 Si4","","- Co9 Si4 Sm -","- Co9 Si4 Sm -","- Co36 Si16 Sm4 -","4","0.125","","Zeng Lingmin; Zhuang Yinghong; Sun Zhihui; He Wei","Crystal structure of the Sm Co9 Si4 compound","Journal of Alloys Compd.","2004","366","","187","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533299","5.526","","16.1953","","5.398","","90","","90","","90","","483.095","","","","","","","","","","","","","4","I c m m","-I 2 2b","74","","Sr2 ((Mn1.056 Ga0.944) O5)","","- Ga0.944 Mn1.056 O5 Sr2 -","- Ga0.944 Mn1.056 O5 Sr2 -","- Ga3.776 Mn4.224 O20 Sr8 -","4","0.25","","Caspi, E.N.; Avdeev, M.; Kolesnik, S.; Jorgensen, J.D.; Short, S.; Chmaissem, O.; Dabrowski, B.; Mais, J.","Synthesis, structure and properties of randomly mixed and layer-ordered Sr Mn1-x Gax O3-d perovskites","Journal of Solid State Chemistry","2004","177","","1456","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533302","5.3709","","5.3537","","7.9113","","90","","90","","90","","227.483","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Sr2 ((Mn Ga) O5.5)","","- Ga Mn O5.5 Sr2 -","- Ga0.992 Mn1.008 O5.488 Sr2 -","- Ga1.984 Mn2.016 O10.976 Sr4 -","2","0.125","","Caspi, E.N.; Avdeev, M.; Kolesnik, S.; Short, S.; Dabrowski, B.; Jorgensen, J.D.; Chmaissem, O.; Mais, J.","Synthesis, structure and properties of randomly mixed and layer-ordered Sr Mn1-x Gax O3-d perovskites","Journal of Solid State Chemistry","2004","177","","1456","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533307","7.2755","","7.726","","10.1935","","102.28","","103.46","","94.35","","539.735","","","","","","","","","","","","","3","P -1","-P 1","2","","Sr3 (P4 O13)","","- O13 P4 Sr3 -","- O13 P4 Sr3 -","- O26 P8 Sr6 -","2","1","","Zhang, Y.-C.; Kan, Z.-G.; Cheng, W.-D.; Wu, D.-S.; Zhang, H.; Chen, D.-G.; Gong, Y.-J.","Crystal structure and energy band and optical properties of phosphate Sr3 P4 O13","Journal of Solid State Chemistry","2004","177","","2610","2616","","","","","","","","","","","","","","","","","","","","","","has coordinates","159448","2020-10-21","18:00:00",""
"1533349","10.993","","6.524","","6.903","","90","","90","","90","","495.072","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Na P5 -","- Na P5 -","- Na4 P20 -","4","0.5","","Chen Xuean; Yamanaka, S.","High-pressure synthesis and crystal structures of two new polyphosphides, Na P5 and Ce P5","Journal of Alloys Compd.","2004","370","","110","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533351","4.9143","","9.6226","","5.5152","","90","","104.303","","90","","252.72","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ce P5 -","- Ce P5 -","- Ce2 P10 -","2","0.5","","Chen Xuean; Yamanaka, S.","High-pressure synthesis and crystal structures of two new polyphosphides, Na P5 and Ce P5","Journal of Alloys Compd.","2004","370","","110","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533353","7.3872","","7.3872","","17.1351","","90","","90","","120","","809.799","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Dy1.78 ((Mn0.89 Ta1.11) O6.82)","","- Dy1.78 Mn0.89 O6.82 Ta1.11 -","- Dy1.778 Mn0.89 O6.825 Ta1.11 -","- Dy10.668 Mn5.34 O40.95 Ta6.66 -","6","1","","Chen, G.; Takenoshita, H.; Satoh, H.; Kamegashira, N.; Miyamoto, M.","Structural analysis of complex oxides Ln2 Mn Ta1+x O7+d (Ln = rare earth and yttrium) with pyrochlore-related structures","Journal of Alloys Compd.","2004","374","","177","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","159500","2020-10-21","18:00:00",""
"1533354","13.0614","","7.5399","","11.8186","","90","","100.516","","90","","1144.37","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Eu2 (Mn0.667 Nb1.333 O7)","","- Eu2 Mn0.667 Nb1.333 O7 -","- Eu2 Mn0.6665 Nb1.3335 O7 -","- Eu16 Mn5.332 Nb10.668 O56 -","8","1","","Chen, G.; Nakano, H.; Satoh, H.; Kamegashira, N.","Structural analysis of a complex oxide Eu2 Mn2/3 Nb4/3 O7 with a pyrochlore-related structure","Materials Science Forum","2004","449","","969","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","159501","2020-10-21","18:00:00",""
"1533356","10.6476","","6.6224","","10.2537","","90","","90","","90","","723.016","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 Sr ((V O) (P O4)2)","","- Na2 O9 P2 Sr V -","- Na2 O9 P2 Sr V -","- Na8 O36 P8 Sr4 V4 -","4","0.5","","Chernaya, V.V.; Antipov, E.V.; Tsirlin, A.A.; Shpanchenko, R.V.; Hadermann, J.; Gippius, A.A.; Geibel, C.; D'yakov, V.; Morozova, E.N.; Kaul, E.E.","Cryystal structure and properties of the new vanadyl(IV) phosphates Na2 M V O (P O4)2, M = Ca and Sr","Journal of Solid State Chemistry","2004","177","","2875","2880","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533357","10.5233","","6.5578","","10.0536","","90","","90","","90","","693.796","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na2 Ca ((V O) (P O4)2)","","- Ca Na2 O9 P2 V -","- Ca Na2 O9 P2 V -","- Ca4 Na8 O36 P8 V4 -","4","0.5","","Chernaya, V.V.; Tsirlin, A.A.; Shpanchenko, R.V.; Gippius, A.A.; D'yakov, V.; Antipov, E.V.; Morozova, E.N.; Geibel, C.; Kaul, E.E.; Hadermann, J.","Crystal structure and properties of the new vanadyl(IV) phosphates Na2 M V O (P O4)2, M = Ca and Sr","Journal of Solid State Chemistry","2004","177","","2875","2880","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533358","4.04","","4.04","","7.735","","90","","90","","90","","126.248","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ce Co Ge H -","- Ce Co Ge H -","- Ce2 Co2 Ge2 H2 -","2","0.125","","Chevalier, B.; Gaudin, E.; Weill, F.; Bobet, J.L.","Hydrogenation and physical properties of the ternary germanide Ce Co Ge : an anisotropic expansion of the unit cell","Intermetallics","2004","12","","437","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533359","7.2469","","4.3083","","7.2379","","90","","90","","90","","225.98","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Ni Ge","","- Ce Ge Ni -","- Ce Ge Ni -","- Ce4 Ge4 Ni4 -","4","0.5","","Chevalier, B.; Pasturel, M.; Etourneau, J.; Bobet, J.L.; Weill, F.; Decourt, R.","The new hydrides Ce Ni Ge H1.6 and Ce Cu Ge H1.0 crystallizing in the derivative hexagonal(Zr Be Si)-type structure","Journal of Solid State Chemistry","2004","177","","752","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533360","4.19","","4.19","","8.293","","90","","90","","120","","126.087","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ce Ni Ge H1.6","","- Ce Ge H1.6 Ni -","- Ce Ge Ni -","- Ce2 Ge2 Ni2 -","2","0.0833333","","Chevalier, B.; Pasturel, M.; Weill, F.; Bobet, J.L.; Decourt, R.; Etourneau, J.","The new hydrides Ce Ni Ge H1.6 and Ce Cu Ge H1.0 crystallizing in the derivative hexagonal(Zr Be Si)-type structure","Journal of Solid State Chemistry","2004","177","","752","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533361","4.302","","4.302","","7.919","","90","","90","","120","","126.923","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ce Cu Ge -","- Ce Cu Ge -","- Ce2 Cu2 Ge2 -","2","0.0833333","","Chevalier, B.; Pasturel, M.; Bobet, J.L.; Decourt, R.; Weill, F.; Etourneau, J.","The new hydrides Ce Ni Ge H1.6 and Ce Cu Ge H1.0 crystallizing in the derivative hexagonal(Zr Be Si)-type structure","Journal of Solid State Chemistry","2004","177","","752","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533362","4.244","","4.244","","8.311","","90","","90","","120","","129.639","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ce Cu Ge H -","- Ce Cu Ge H -","- Ce2 Cu2 Ge2 H2 -","2","0.0833333","","Chevalier, B.; Pasturel, M.; Bobet, J.L.; Etourneau, J.; Weill, F.; Decourt, R.","The new hydrides Ce Ni Ge H1.6 and Ce Cu Ge H1.0 crystallizing in the derivative hexagonal (Zr Be Si)-type structure","Journal of Solid State Chemistry","2004","177","","752","759","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533363","5.2821","","5.2821","","11.5893","","90","","90","","90","","323.348","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Nd (W O3 N)","","- N Nd O3 W -","- N1.004 Nd O2.996 W -","- N4.016 Nd4 O11.984 W4 -","4","0.25","","Chevire, F.; Tessier, F.; Marchand, R.","New scheelite-type oxynitrides in the systems (R W O3 N) - (A W O4) (R= rare-earth element; A= Ca, Sr) from precursors obtained by the citrate route","Materials Research Bulletin","2004","39","","1091","1101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533379","4.9661","","4.9661","","19.977","","90","","90","","120","","426.67","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","La Ni4.95 Sn1.05 H3","","- H3 La Ni4.95 Sn1.05 -","- H3 La Ni4.95 Sn1.05 -","- H12 La4 Ni19.8 Sn4.2 -","4","0.166667","","Sato, M.; Yartys', V.A.","Hydrogen absorption-desorption characteristics of the La Ni5 Sn intermetallic compound","Journal of Alloys Compd.","2004","373","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533415","18.615","","5.771","","11.098","","90","","90","","90","","1192.23","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ba5 Ru1.622 Al1.293 Cu0.085 O11","","- Al1.293 Ba5 Cu0.085 O11 Ru1.622 -","- Al1.293 Ba5 Cu0.085 O11 Ru1.622 -","- Al5.172 Ba20 Cu0.34 O44 Ru6.488 -","4","0.5","","Schuepp, B.; Shlyk, L.; Prots', Yu.; Krabbes, G.; Baecher, I.","Preparation and crystal structure of members of the solid solution phase Ba5 Ru2-x Al1+x-y Cuy O11 with x = 0.378, y = 0.085 and x = 0.5, y = 0","Journal of Solid State Chemistry","2004","177","","1393","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","159656","2020-10-21","18:00:00",""
"1533417","18.6654","","5.7736","","11.0693","","90","","90","","90","","1192.9","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba5 (Ru1.62 Al1.38 O11)","","- Al1.38 Ba5 O11 Ru1.62 -","- Al1.38 Ba5 O11 Ru1.62 -","- Al5.52 Ba20 O44 Ru6.48 -","4","0.5","","Schuepp, B.; Shlyk, L.; Prots', Yu.; Krabbes, G.; Baecher, I.","Preparation and crystal structure of members of the solid solution phase Ba5 Ru2-x Al1+x-y Cuy O11 with x = 0.378, y = 0.085 and x = 0.5, y = 0","Journal of Solid State Chemistry","2004","177","","1393","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","159659","2020-10-21","18:00:00",""
"1533419","3.85559","","3.85559","","7.78289","","90","","90","","90","","115.697","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sr2 (Mn Ga (O4.78 F1.22))","","- F1.22 Ga Mn O4.78 Sr2 -","- F1.22 Ga Mn O4.78 Sr2 -","- F1.22 Ga Mn O4.78 Sr2 -","1","0.0625","","Alekseeva, A.M.; Abakumov, A.M.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.","Synthesis and crystal structure of the Sr2 Mn Ga (O, F)6 oxyfluorides","Journal of Solid State Chemistry","2004","177","","731","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533428","16.416","","11.0745","","5.3734","","90","","108.385","","90","","927.017","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dy2 (Mo O6)","","- Dy2 Mo O6 -","- Dy2 Mo O6 -","- Dy16 Mo8 O48 -","8","1","","Alonso, J.A.; Rivillas, F.; Pomjakushin, V.; Martinez-Lope, M.J.","Preparation and structural study from neutron diffraction data of R2 Mo O6 ( R= Dy, Ho, Er, Tm, Yb, Y )","Journal of Solid State Chemistry","2004","177","","2470","2476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533431","16.3611","","11.0278","","5.3496","","90","","108.486","","90","","915.408","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ho2 (Mo O6)","","- Ho2 Mo O6 -","- Ho2 Mo O6 -","- Ho16 Mo8 O48 -","8","1","","Alonso, J.A.; Rivillas, F.; Martinez-Lope, M.J.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R2 Mo O6 ( R= Dy, Ho, Er, Tm, Yb, Y )","Journal of Solid State Chemistry","2004","177","","2470","2476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533432","5.6796","","5.6796","","5.6796","","90","","90","","90","","183.212","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ba2.1 N F","","- Ba2.1 F N -","- Ba2.104 F N -","- Ba4.208 F2 N2 -","2","0.0104167","","Seibel, H.; Wagner, T.R.","Preparation and crystal structure of Ba2 N F","Journal of Solid State Chemistry","2004","177","","2772","2776","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533434","16.3249","","10.9856","","5.3307","","90","","108.617","","90","","905.977","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Er2 (Mo O6)","","- Er2 Mo O6 -","- Er2 Mo O6 -","- Er16 Mo8 O48 -","8","1","","Alonso, J.A.; Pomjakushin, V.; Martinez-Lope, M.J.; Rivillas, F.","Preparation and structural study from neutron diffraction data of R2 Mo O6 ( R= Dy, Ho, Er, Tm, Yb, Y )","Journal of Solid State Chemistry","2004","177","","2470","2476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533435","4.8473","","4.8473","","2.8136","","90","","90","","90","","66.109","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Mo O2 -","- Mo O2 -","- Mo2 O4 -","2","0.125","","Seisenbaeva, G.A.; Sundberg, M.; Nygren, M.; Dubrovinsky, L.; Kessler, V.G.","Thermal decomposition of the methoxide complexes Mo O (O Me)4, Re4 O6 (O Me)12 and (Re1-x Mox) O6 (O Me)12 (0.24 < x < 0.55)","Materials Chemistry and Physics","2004","87","","142","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533437","16.2809","","10.9382","","5.312","","90","","108.654","","90","","896.286","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tm2 (Mo O6)","","- Mo O6 Tm2 -","- Mo O6 Tm2 -","- Mo8 O48 Tm16 -","8","1","","Alonso, J.A.; Rivillas, F.; Martinez-Lope, M.J.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R2 Mo O6 ( R= Dy, Ho, Er, Tm, Yb, Y )","Journal of Solid State Chemistry","2004","177","","2470","2476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533440","16.2437","","10.8992","","5.2907","","90","","108.649","","90","","887.503","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Yb2 (Mo O6)","","- Mo O6 Yb2 -","- Mo O6 Yb2 -","- Mo8 O48 Yb16 -","8","1","","Alonso, J.A.; Rivillas, F.; Pomjakushin, V.; Martinez-Lope, M.J.","Preparation and structural study from neutron diffraction data of R2 Mo O6 ( R= Dy, Ho, Er, Tm, Yb, Y )","Journal of Solid State Chemistry","2004","177","","2470","2476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533443","16.3538","","11.0183","","5.3506","","90","","108.523","","90","","914.185","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Y2 (Mo O6)","","- Mo O6 Y2 -","- Mo O6 Y2 -","- Mo8 O48 Y16 -","8","1","","Alonso, J.A.; Rivillas, F.; Martinez-Lope, M.J.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R2 Mo O6 ( R= Dy, Ho, Er, Tm, Yb, Y )","Journal of Solid State Chemistry","2004","177","","2470","2476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533444","3.8488","","3.8488","","20.1627","","90","","90","","90","","298.675","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 (Mn Ti O6.891)","","- Mn O6.891 Sr3 Ti -","- Mn O6.891 Sr3 Ti -","- Mn2 O13.782 Sr6 Ti2 -","2","0.0625","","Sharma, I.B.; Singh, C.; Singh, D.","Synthesis, structure, electric transport and magnetic properties of Sr3 Mn Ti O7-d","Journal of Alloys Compd.","2004","375","","11","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533448","18.36","","6.164","","13.07","","90","","90","","92.2","","1478.06","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","(N H (C H3)3)2 (Hg Cl4)","","- C6 H20 Cl4 Hg N2 -","- C6 H20 Cl4 Hg N2 -","- C24 H80 Cl16 Hg4 N8 -","4","1","","Amami, M.; Sebald, A.; van Smaalen, S.; Ben Salah, A.; Helluy, X.","Structural investigation of trimethylammonium tetrachloromercurate","Journal of Solid State Chemistry","2004","177","","2961","2970","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533451","4.094","","4.094","","10.909","","90","","90","","90","","182.844","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Nd (Mn1.85 Fe0.15) Ge2","","- Fe0.15 Ge2 Mn1.85 Nd -","- Fe0.15 Ge2 Mn1.85 Nd -","- Fe0.3 Ge4 Mn3.7 Nd2 -","2","0.0625","","Szytula, A.; Wawrzynska, E.; Duraj, R.; Hernandez-Velasco, J.; Venturini, G.; Penc, B.","Magnetic structure of Nd Mn2-x Fex Ge2 (x = 0.1 and 0.15) compounds","Journal of Alloys Compd.","2004","377","","21","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533454","12.4524","","9.6339","","16.5636","","90","","90","","90","","1987.06","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","K4 Ag (Ag Ge3 S9) (H2 O)","","- Ag2 Ge3 H2 K4 O S9 -","- Ag2 Ge3 K4 O S9 -","- Ag8 Ge12 K16 O4 S36 -","4","1","","An Yonglin; Menghe Baiyin; Ye Ling; Ji Min; Jia Cuiying; Liu Xin","A solvothermal synthesis and characterization of a new open-framework K4 Ag2 Ge3 Se9 * (H2 O)","Journal of Solid State Chemistry","2004","177","","2506","2510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533457","5.1022","","5.1022","","32.569","","90","","90","","120","","734.26","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Li6.87 Nb2.34 Ti5.78 O21","","- Li6.87 Nb2.34 O21 Ti5.78 -","- Li6.866 Nb2.342 O21 Ti5.792 -","- Li13.732 Nb4.684 O42 Ti11.584 -","2","0.166667","","Grey, I.E.; Roth, R.S.; Li, C.; Bordet, P.","Phase stability and non-stoichiometry in M-phase solid solutions in the system Li O0.5 - Nb O2.5 - Ti O2","Journal of Solid State Chemistry","2004","177","","660","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","159702","2020-10-21","18:00:00",""
"1533479","3.8886","","3.8886","","3.8886","","90","","90","","90","","58.8","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Mn3 (Mn0.07 Ga0.93) N","","- Ga0.93 Mn3.07 N -","- Ga0.93 Mn3.07 N -","- Ga0.93 Mn3.07 N -","1","0.0208333","","Aoki, M.; Yamane, H.; Shimada, M.; Kajiwara, T.","Single crystal growth of manganese gallium nitride using Mn - Ga - Na melt","Journal of Alloys Compd.","2004","364","","280","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533483","2.8185","","2.8185","","4.5371","","90","","90","","120","","31.214","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn2 N1.08 -","- Mn2 N1.08 -","- Mn2 N1.08 -","1","0.0416667","","Aoki, M.; Kajiwara, T.; Yamane, H.; Shimada, M.","Single crystal growth of Mn2 N using an In - Na flux","Materials Research Bulletin","2004","39","","827","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533495","2.8344","","2.8344","","13.842","","90","","90","","120","","96.306","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na0.358 Co O2 (H2 O)0.642","","- Co H1.284 Na0.358 O2.642 -","- Co Na0.358 O2.642 -","- Co2 Na0.716 O5.284 -","2","0.0833333","","Takada, K.; Sasaki, T.; Sakurai, H.; Takayama-Muromachi, E.; Izumi, F.; Dilanian, R.A.","Structural difference between a superconducting sodium cobalt oxide and its related phase","Journal of Solid State Chemistry","2004","177","","372","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533512","7.468","","7.468","","10.682","","90","","90","","90","","595.746","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Tl2 (Te Br6)","","- Br6 Te Tl2 -","- Br6 Te Tl2 -","- Br12 Te2 Tl4 -","2","0.125","","Sidey, V.I.; Kun, S.V.; Solomon, A.M.; Zubaka, O.V.; Peresh, E.Yu.","X-ray powder diffraction studies of Tl2 Te Br6 and Tl2 Te I6","Journal of Alloys Compd.","2004","367","","115","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533513","12.2403","","12.2403","","12.2403","","90","","90","","90","","1833.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti37.9 Ru28 Al54.1","","- Al54.1 Ru28 Ti37.9 -","- Al54.096 Ru28 Ti37.904 -","- Al54.096 Ru28 Ti37.904 -","1","0.00520833","","Grytsiv, A.V.; Pomjakushin, V.; Rogl, P.; Giester, G.; Hundegger, P.; Schmidt, H.; Wiesinger, G.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159762","2020-10-21","18:00:00",""
"1533514","7.765","","8.174","","13.756","","90","","124.2","","90","","722.131","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tl2 (Te I6)","","- I6 Te Tl2 -","- I6 Te Tl2 -","- I12 Te2 Tl4 -","2","0.5","","Sidey, V.I.; Zubaka, O.V.; Peresh, E.Yu.; Solomon, A.M.; Kun, S.V.","X-ray powder diffraction studies of Tl2 Te Br6 and Tl2 Te I6","Journal of Alloys Compd.","2004","367","","115","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533517","12.1841","","12.1841","","12.1841","","90","","90","","90","","1808.76","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti32.52 Rh28 Al59.48","","- Al59.48 Rh28 Ti32.52 -","- Al59.488 Rh28 Ti32.512 -","- Al59.488 Rh28 Ti32.512 -","1","0.00520833","","Grytsiv, A.V.; Wiesinger, G.; Schmidt, H.; Rogl, P.; Giester, G.; Hundegger, P.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159766","2020-10-21","18:00:00",""
"1533521","12.2286","","12.2286","","12.2286","","90","","90","","90","","1828.65","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti28.5 Pd27.2 Al63.5","","- Al63.5 Pd27.2 Ti28.5 -","- Al63.52 Pd27.24 Ti28.48 -","- Al63.52 Pd27.24 Ti28.48 -","1","0.00520833","","Grytsiv, A.V.; Wiesinger, G.; Rogl, P.; Schmidt, H.; Hundegger, P.; Giester, G.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159770","2020-10-21","18:00:00",""
"1533524","12.2747","","12.2747","","12.2747","","90","","90","","90","","1849.41","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti37.3 Os28 Al54.7","","- Al54.7 Os28 Ti37.3 -","- Al54.72 Os28 Ti37.28 -","- Al54.72 Os28 Ti37.28 -","1","0.00520833","","Grytsiv, A.V.; Rogl, P.; Hundegger, P.; Schmidt, H.; Giester, G.; Pomjakushin, V.; Wiesinger, G.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159773","2020-10-21","18:00:00",""
"1533528","12.2049","","12.2049","","12.2049","","90","","90","","90","","1818.04","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti35.26 Ir28 Al56.74","","- Al56.74 Ir28 Ti35.26 -","- Al56.736 Ir28 Ti35.264 -","- Al56.736 Ir28 Ti35.264 -","1","0.00520833","","Grytsiv, A.V.; Hundegger, P.; Rogl, P.; Schmidt, H.; Wiesinger, G.; Giester, G.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159777","2020-10-21","18:00:00",""
"1533531","12.2315","","12.2315","","12.2315","","90","","90","","90","","1829.95","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti37.6 Pt27.5 Al54.4","","- Al54.4 Pt27.5 Ti37.6 -","- Al54.4 Pt27.52 Ti37.6 -","- Al54.4 Pt27.52 Ti37.6 -","1","0.00520833","","Grytsiv, A.V.; Rogl, P.; Giester, G.; Schmidt, H.; Hundegger, P.; Wiesinger, G.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159781","2020-10-21","18:00:00",""
"1533533","14.3055","","14.3055","","23.7477","","90","","90","","120","","4208.8","","","","","","","","","","","","","4","P -6 m 2","P -6 2","187","","Sc3.15 B38.84 C1.83 Si0.31","","- C1.83 B38.84 Sc3.15 Si0.31 -","- C1.83 B38.8383 Sc3.15083 Si0.311667 -","- C21.96 B466.06 Sc37.81 Si3.74 -","12","1","","Tanaka, T.; Sato, A.; Yamamoto, A.","A novel boron-rich quaternary scandium borocarbosilicide Sc3.67-x B41.4-y-z C0.67+z Si0.33-w","Journal of Solid State Chemistry","2004","177","","476","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","159784","2020-10-21","18:00:00",""
"1533534","3.9316","","3.9316","","3.9316","","90","","90","","90","","60.773","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ti (Ni0.11 Al0.89)3","","- Al2.67 Ni0.33 Ti -","- Al2.679 Ni0.321 Ti -","- Al2.679 Ni0.321 Ti -","1","0.0208333","","Grytsiv, A.V.; Rogl, P.; Schmidt, H.; Giester, G.; Wiesinger, G.; Hundegger, P.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533535","18.077","","20.509","","7.5172","","90","","90.03","","90","","2786.94","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Na6.68 Se9.82 (Al5.99 Si41.96 O96) (H2 O)9.87","","- Al5.99 H19.74 Na6.68 O105.87 Se9.82 Si41.96 -","- Al5.9904 Na6.68 O105.872 Se9.816 Si41.9616 -","- Al5.9904 Na6.68 O105.872 Se9.816 Si41.9616 -","1","0.25","","Simoncic, P.; Armbruster, T.","Se incorporated into zeolite mordenite-Na : a single-crystal X-ray study","Microporous and Mesoporous Materials","2004","71","","185","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533537","3.96245","","3.96245","","3.96245","","90","","90","","90","","62.214","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ti (Pt0.08 Al0.92)3","","- Al2.76 Pt0.24 Ti -","- Al2.76 Pt0.24 Ti -","- Al2.76 Pt0.24 Ti -","1","0.0208333","","Grytsiv, A.V.; Rogl, P.; Schmidt, H.; Pomjakushin, V.; Wiesinger, G.; Giester, G.; Hundegger, P.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533539","5.669","","5.669","","24.304","","90","","90","","120","","676.428","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba5 Co5 Cl O13","","- Ba5 Cl Co5 O13 -","- Ba5 Cl Co5 O13 -","- Ba10 Cl2 Co10 O26 -","2","0.0833333","","Tancret, N.; Roussel, P.; Abraham, F.","New Ba5 M5-x Ptx Cl O13 (M= Fe, Co) oxychlorides with layered perovskite-related structure","Journal of Solid State Chemistry","2004","177","","1023","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533540","3.92447","","3.92447","","3.92447","","90","","90","","90","","60.443","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ti (Ni0.105 Al0.895)3","","- Al2.685 Ni0.315 Ti -","- Al2.685 Ni0.315 Ti -","- Al2.685 Ni0.315 Ti -","1","0.0208333","","Grytsiv, A.V.; Rogl, P.; Schmidt, H.; Wiesinger, G.; Giester, G.; Hundegger, P.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII) - Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533542","5.7055","","5.7055","","24.736","","90","","90","","120","","697.345","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Ba5 Co4.028 Pt0.972 Cl O13","","- Ba5 Cl Co4.028 O13 Pt0.972 -","- Ba5 Cl Co4.028 O13 Pt0.972 -","- Ba10 Cl2 Co8.056 O26 Pt1.944 -","2","0.0833333","","Tancret, N.; Abraham, F.; Roussel, P.","New Ba5 M5-x Ptx Cl O13 (M= Fe, Co) oxychlorides with layered perovskite-related structure","Journal of Solid State Chemistry","2004","177","","1023","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533543","3.8837","","3.8837","","27.727","","90","","90","","90","","418.21","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Ca2 La2 (Cu Ti2 O10)","","- Ca2 Cu La2 O10 Ti2 -","- Ca2 Cu La2 O10 Ti2 -","- Ca4 Cu2 La4 O20 Ti4 -","2","0.0625","","Sivakumar, T.; Lofland, S.E.; Ramanujachary, K.V.; Ramesha, K.; Subbanna, G.N.; Gopalakrishnan, J.","Transforming n=1 members of the Ruddlesden-Popper phases to a n=3 member through metathesis: synthesis of a new layered perovskite, Ca2 La2 Cu Ti2 O10","Journal of Solid State Chemistry","2004","177","","2635","2638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533545","5.71","","5.71","","24.809","","90","","90","","120","","700.506","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Ba5 Co3.916 Pt1.084 Cl O13","","- Ba5 Cl Co3.916 O13 Pt1.084 -","- Ba5 Cl Co3.916 O13 Pt1.084 -","- Ba10 Cl2 Co7.832 O26 Pt2.168 -","2","0.0833333","","Tancret, N.; Roussel, P.; Abraham, F.","New Ba5 M5-x Ptx Cl O13 (M= Fe, Co) oxychlorides with layered perovskite-related structure","Journal of Solid State Chemistry","2004","177","","1023","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533547","7.61919","","5.53113","","7.76757","","90","","100.889","","90","","321.453","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ce (Ta O4)","","- Ce O4 Ta -","- Ce1.012 O3.924 Ta0.994 -","- Ce4.048 O15.696 Ta3.976 -","4","1","","Skinner, S.J.; Kilner, J.A.; Palmer, H.M.; Raj, E.S.","Structural studies of cerium tantalates","Journal of Solid State Chemistry","2004","177","","2685","2690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533549","5.7986","","5.7986","","25.0968","","90","","90","","120","","730.795","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Ba5 Fe3.693 Pt1.307 Cl O13","","- Ba5 Cl Fe3.693 O13 Pt1.307 -","- Ba5 Cl Fe3.693 O13 Pt1.307 -","- Ba10 Cl2 Fe7.386 O26 Pt2.614 -","2","0.0833333","","Tancret, N.; Roussel, P.; Abraham, F.","New Ba5 M5-x Ptx Cl O13 (M = Fe, Co) oxychlorides with layered perovskite-related structure","Journal of Solid State Chemistry","2004","177","","1023","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533551","7.67473","","5.58127","","7.82329","","90","","101.635","","90","","328.223","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ce1.01 (Ta1.09 O4.11)","","- Ce1.01 O4.11 Ta1.09 -","- Ce1.008 O4.109 Ta1.094 -","- Ce4.032 O16.436 Ta4.376 -","4","1","","Skinner, S.J.; Palmer, H.M.; Raj, E.S.; Kilner, J.A.","Structural studies of cerium tantalates","Journal of Solid State Chemistry","2004","177","","2685","2690","","","","","","","","","","","","","","","","","","","","","","has coordinates","159805","2020-10-21","18:00:00",""
"1533553","5.7795","","5.7795","","25.08","","90","","90","","120","","725.502","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Ba5 Fe3.411 Pt1.589 Cl O13","","- Ba5 Cl Fe3.411 O13 Pt1.589 -","- Ba5 Cl Fe3.411 O13 Pt1.589 -","- Ba10 Cl2 Fe6.822 O26 Pt3.178 -","2","0.0833333","","Tancret, N.; Roussel, P.; Abraham, F.","New Ba5 M5-x Ptx Cl O13 (M= Fe, Co) oxychlorides with layered perovskite-related structure","Journal of Solid State Chemistry","2004","177","","1023","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533555","5.64062","","14.81609","","3.93428","","90","","90","","90","","328.795","","","","","","","","","","","","","3","A 21 a m","A -2 2a","36","","Ce0.85 (Ta O3.74)","","- Ce0.85 O3.74 Ta -","- Ce0.851 O3.74 Ta -","- Ce3.404 O14.96 Ta4 -","4","0.5","","Skinner, S.J.; Palmer, H.M.; Raj, E.S.; Kilner, J.A.","Structural studies of cerium tantalates","Journal of Solid State Chemistry","2004","177","","2685","2690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533557","5.7965","","5.7965","","25.141","","90","","90","","120","","731.551","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Ba5 Fe3.451 Pt1.549 Cl O13","","- Ba5 Cl Fe3.451 O13 Pt1.549 -","- Ba5 Cl Fe3.451 O13 Pt1.549 -","- Ba10 Cl2 Fe6.902 O26 Pt3.098 -","2","0.0833333","","Tancret, N.; Roussel, P.; Abraham, F.","New Ba5 M5-x Ptx Cl O13 (M= Fe, Co) oxychlorides with layered perovskite-related structure","Journal of Solid State Chemistry","2004","177","","1023","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533559","7.69233","","5.55517","","7.75548","","90","","102.976","","90","","322.946","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ce (Ta0.88 O3.29)","","- Ce1.085 O3.294 Ta0.876 -","- Ce1.085 O3.294 Ta0.876 -","- Ce4.34 O13.176 Ta3.504 -","4","1","","Skinner, S.J.; Palmer, H.M.; Raj, E.S.; Kilner, J.A.","Structural studies of cerium tantalates","Journal of Solid State Chemistry","2004","177","","2685","2690","","","","","","","","","","","","","","","","","","","","","","has coordinates","159813","2020-10-21","18:00:00",""
"1533560","7.9575","","7.9575","","7.9583","","90","","90","","90","","503.934","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","Sr2 (Mn Mo O6)","","- Mn Mo O6 Sr2 -","- Mn Mo O6 Sr2 -","- Mn4 Mo4 O24 Sr8 -","4","0.5","","Azad, A.K.; Mathieu, R.; Eriksson, S.G.; Ivanov, S.A.; Svedlindh, P.; Eriksen, J.; Rundlof, H.","Synthesis, structural and magnetic characterisation of the double perovskite A2 Mn Mo O6 (A = Ba, Sr)","Journal of Alloys Compd.","2004","364","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533561","5.851","","5.851","","25.009","","90","","90","","120","","741.459","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Ba2 Cl2) (Ba3 Ru2 O9)","","- Ba5 Cl2 O9 Ru2 -","- Ba5 Cl2 O9 Ru2 -","- Ba10 Cl4 O18 Ru4 -","2","0.0833333","","Tancret, N.; Roussel, P.; Abraham, F.","Layered perovskite-related ruthenium oxychlorides: crystal structure of two new compounds Ba5 Ru2 Cl2 O9 and Ba6 Ru3 Cl2 O12","Journal of Solid State Chemistry","2004","177","","806","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","159815","2020-10-21","18:00:00",""
"1533564","5.3897","","5.3897","","12.0209","","90","","90","","90","","349.194","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Sr (Mo O4)","","- Mo O4 Sr -","- Mo O4 Sr -","- Mo4 O16 Sr4 -","4","0.25","","Azad, A.K.; Eriksson, S.G.; Ivanov, S.A.; Svedlindh, P.; Mathieu, R.; Eriksen, J.; Rundlof, H.","Synthesis, structural and magnetic characterisation of the double perovskite A2 Mn Mo O6 (A = Ba, Sr)","Journal of Alloys Compd.","2004","364","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533565","5.815","","5.815","","14.915","","90","","90","","120","","436.771","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(Ba2 Cl2) (Ba4 Ru3 O12)","","- Ba6 Cl2 O12 Ru3 -","- Ba6 Cl2 O12 Ru3 -","- Ba6 Cl2 O12 Ru3 -","1","0.0833333","","Tancret, N.; Roussel, P.; Abraham, F.","Layered perovskite-related ruthenium oxychlorides: crystal structure of two new compounds Ba5 Ru2 Cl2 O9 and Ba6 Ru3 Cl2 O12","Journal of Solid State Chemistry","2004","177","","806","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","159819","2020-10-21","18:00:00",""
"1533568","8.168","","8.168","","8.168","","90","","90","","90","","544.938","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 (Mn Mo O6)","","- Ba2 Mn Mo O6 -","- Ba2 Mn Mo O6 -","- Ba8 Mn4 Mo4 O24 -","4","0.0208333","","Azad, A.K.; Mathieu, R.; Ivanov, S.A.; Eriksson, S.G.; Svedlindh, P.; Rundlof, H.; Eriksen, J.","Synthesis, structural and magnetic characterisation of the double perovskite A2 Mn Mo O6 (A = Ba, Sr)","Journal of Alloys Compd.","2004","364","","77","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533576","5.4234","","5.4021","","40.5935","","90","","90","","90","","1189.3","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","Ca Bi4 (Ti4 O15)","","- Bi4 Ca O15 Ti4 -","- Bi4 Ca O15 Ti4 -","- Bi16 Ca4 O60 Ti16 -","4","0.5","","Tellier, J.; Mercurio, D.; Boullay, P.; Manier, M.","A comparative study of the Aurivillius phase ferroelectrics Ca Bi4 Ti4 O15 and Ba Bi4 Ti4 O15","Journal of Solid State Chemistry","2004","177","","1829","1837","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533577","9.445","","9.028","","19.209","","90","","102.08","","90","","1601.67","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Na3 (Ga4 O (O H) (H2 O) (P O4)4) (H2 O)","","- Ga4 H5 Na3 O20 P4 -","- Ga4 Na2.97 O20 P4 -","- Ga16 Na11.88 O80 P16 -","4","1","","Guesdon, A.; Monnin, Y.; Raveau, B.","A new sodium hydroxygallophosphate containing tetrameric gallium units: Na3 (Ga4 O (O H) (H2 O) (P O4)4) * (H2 O)","Journal of Solid State Chemistry","2004","177","","181","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533580","5.4433","","5.4319","","41.6941","","90","","90","","90","","1232.79","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","Ba Bi4 (Ti4 O15)","","- Ba Bi4 O15 Ti4 -","- Ba Bi4 O15 Ti4 -","- Ba4 Bi16 O60 Ti16 -","4","0.5","","Tellier, J.; Boullay, P.; Manier, M.; Mercurio, D.","A comparative study of the Aurivillius phase ferroelectrics Ca Bi4 Ti4 O15 and Ba Bi4 Ti4 O15","Journal of Solid State Chemistry","2004","177","","1829","1837","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533581","17.9987","","3.71607","","12.6172","","90","","133.645","","90","","610.667","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Sm2 Ti2 S2 O4.5","","- O4.5 S2 Sm2 Ti2 -","- O4.5 S2 Sm2 Ti2 -","- O18 S8 Sm8 Ti8 -","4","0.5","","Guillot-Deudon, C.; Lafond, A.; Meignen, V.; Cario, L.; Meerschaut, A.","Crystal structure and electrical properties of the mixed valent titanium oxysulfide Sm2 Ti2 S2 O4.5","Journal of Solid State Chemistry","2004","1777","","2464","2469","","","","","","","","","","","","","","","","","","","","","","has coordinates","159835","2020-10-21","18:00:00",""
"1533588","10.3013","","10.3013","","10.3013","","90","","90","","90","","1093.14","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Cu5.976 Hg0.972 (Si Se6)","","- Cu5.976 Hg0.972 Se6 Si -","- Cu5.976 Hg0.972 Se6 Si -","- Cu23.904 Hg3.888 Se24 Si4 -","4","0.0416667","","Gulay, L.D.; Parasyuk, O.V.; Romanyuk, Ya.E.; Olekseyuk, I.D.","Crystal structure of the Cu5.976 Hg0.972 Si Se6 compound","Journal of Alloys Compd.","2004","367","","121","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533591","7.5382","","3.7934","","6.0883","","90","","91.159","","90","","174.062","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ni3 Te2 -","- Ni3 Te2 -","- Ni6 Te4 -","2","0.5","","Gulay, L.D.; Olekseyuk, I.D.","Crystal structures of the compounds Ni3 Te2, Ni3-d Te2 (d = 0.12) and Ni1.29 Te","Journal of Alloys Compd.","2004","376","","131","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533594","7.5382","","3.7879","","6.0647","","90","","90","","90","","173.171","","","","","","","","","","","","","2","P m a 2","P 2 -2a","28","","","","- Ni2.88 Te2 -","- Ni2.88 Te2 -","- Ni5.76 Te4 -","2","0.5","","Gulay, L.D.; Olekseyuk, I.D.","Crystal structures of the compounds Ni3 Te2, Ni3-d Te2 (d = 0.12) and Ni1.29 Te","Journal of Alloys Compd.","2004","376","","131","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533595","10.86","","10.86","","15.315","","90","","90","","90","","1806.24","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","La6 Sb4 O12 S3","","- La6 O12 S3 Sb4 -","- La6 O12 S3 Sb4 -","- La24 O48 S12 Sb16 -","4","0.125","","So Won-Wook; LaCour, A.; Aliev, V.O.; Dorhout, P.K.","Synthesis and characterization of a new quaternary lanthanum oxythioantimonite: La6 Sb4 O12 S3","Journal of Alloys Compd.","2004","374","","234","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","159852","2020-10-21","18:00:00",""
"1533596","8.5133","","8.5133","","6.4206","","90","","90","","120","","402.997","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Gd5 Si3 -","- Gd5 Si3 -","- Gd10 Si6 -","2","0.0833333","","Babizhet'sky, V.S.; Roger, J.; Bauer, J.; Deputier, S.; Guerin, R.; Jardin, R.","Solid state phase equilibria in the Gd - Si - B system at 1270 K","Journal of Solid State Chemistry","2004","177","","415","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533598","3.9089","","6.8627","","12.34","","90","","90","","90","","331.028","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","","","- Ni1.297 Te -","- Ni1.2975 Te -","- Ni10.38 Te8 -","8","2","","Gulay, L.D.; Olekseyuk, I.D.","Crystal structures of the compounds Ni3 Te2, Ni3-d Te2 (d = 0.12) and Ni1.29 Te","Journal of Alloys Compd.","2004","376","","131","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533599","5.7345","","5.8903","","6.3503","","64.538","","89.279","","85.233","","192.932","","","","","","","","","","","","","3","P -1","-P 1","2","","Na6 (Co2 O6)","","- Co2 Na6 O6 -","- Co2 Na6 O6 -","- Co2 Na6 O6 -","1","0.5","","Sofin, M.; Jansen, M.; Peters, E.M.","Synthesis, structure and magnetic properties of Na6 Co2 O6","Journal of Solid State Chemistry","2004","177","","2550","2556","","","","","","","","","","","","","","","","","","","","","","has coordinates","159856","2020-10-21","18:00:00",""
"1533601","5.2644","","5.2644","","10.316","","90","","90","","90","","285.897","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Cu2 Co Si S4","","- Co Cu2 S4 Si -","- Co Cu2 S4 Si -","- Co2 Cu4 S8 Si2 -","2","0.125","","Gulay, L.D.; Nazarchuk, O.P.; Olekseyuk, I.D.","Crystal structures of the compounds Cu2 Co Si(Ge,Sn) S4 and Cu2 Co Ge(Sn) Se4","Journal of Alloys Compd.","2004","377","","306","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533604","5.2957","","5.2957","","10.4709","","90","","90","","90","","293.651","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Cu2 Co Ge S4","","- Co Cu2 Ge S4 -","- Co Cu2 Ge S4 -","- Co2 Cu4 Ge2 S8 -","2","0.125","","Gulay, L.D.; Nazarchuk, O.P.; Olekseyuk, I.D.","Crystal structures of the compounds Cu2 Co Si(Ge,Sn) S4 and Cu2 Co Ge(Sn) Se4","Journal of Alloys Compd.","2004","377","","306","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533605","5.47","","5.47","","3.08","","90","","90","","120","","79.81","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce Rh3 B2","","- B2 Ce Rh3 -","- B2 Ce Rh3 -","- B2 Ce Rh3 -","1","0.0416667","","Sologub, O.L.; Almeida, M.; Rizzoli, C.; Goncalves, A.P.; Salamakha, P.; Ipser, H.","Structural investigation of the ternary R M3 B2 compounds","Journal of Alloys Compd.","2004","373","","202","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533606","5.7375","","5.7375","","8.114","","90","","90","","90","","267.104","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 (In Nb O6)","","- In Nb O6 Sr2 -","- In Nb O6 Sr2 -","- In2 Nb2 O12 Sr4 -","2","0.5","","Ting, V.; Liu, Y.; Withers, R.L.; Krausz, E.","An electron diffraction and bond valence sum study of the space group symmetries and structures of the photocatalytic 1:1 ordered A2 In Nb O6 double perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2004","177","","979","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533607","5.3956","","5.3956","","10.789","","90","","90","","90","","314.095","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Cu2 Co Sn S4","","- Co Cu2 S4 Sn -","- Co Cu2 S4 Sn -","- Co2 Cu4 S8 Sn2 -","2","0.125","","Gulay, L.D.; Nazarchuk, O.P.; Olekseyuk, I.D.","Crystal structures of the compounds Cu2 Co Si(Ge,Sn) S4 and Cu2 Co Ge(Sn) Se4","Journal of Alloys Compd.","2004","377","","306","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533608","5.29","","5.29","","26.22","","90","","90","","120","","635.44","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ce Ir3 -","- Ce Ir3 -","- Ce9 Ir27 -","9","0.25","","Sologub, O.L.; Salamakha, P.; Ipser, H.; Goncalves, A.P.; Almeida, M.","Crystal structure of the Ce Ir3 compound","Journal of Alloys Compd.","2004","373","","L5","L7","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533610","5.5284","","5.7109","","7.929","","90","","90","","90","","250.335","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca2 (In Nb O6)","","- Ca2 In Nb O6 -","- Ca2 In Nb O6 -","- Ca4 In2 Nb2 O12 -","2","0.5","","Ting, V.; Withers, R.L.; Liu, Y.; Krausz, E.","An electron diffraction and bond valence sum study of the space group symmetries and structures of the photocatalytic 1:1 ordered A2 In Nb O6 double perovskites (A = Ca(2+), Sr(2+), Ba(2+))","Journal of Solid State Chemistry","2004","177","","979","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533611","5.5858","","5.556","","5.4935","","90","","90","","90","","170.489","","","","","","","","","","","","","4","F 2 2 2","F 2 2","22","","Cu2 Co Ge Se4","","- Co Cu2 Ge Se4 -","- Co Cu2 Ge Se4 -","- Co Cu2 Ge Se4 -","1","0.0625","","Gulay, L.D.; Nazarchuk, O.P.; Olekseyuk, I.D.","Crystal structures of the compounds Cu2 Co Si(Ge,Sn) S4 and Cu2 Co Ge (Sn) Se4","Journal of Alloys Compd.","2004","377","","306","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533615","5.6676","","5.6676","","11.3146","","90","","90","","90","","363.444","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Cu2 Co (Sn Se4)","","- Co Cu2 Se4 Sn -","- Co Cu2 Se4 Sn -","- Co2 Cu4 Se8 Sn2 -","2","0.125","","Gulay, L.D.; Nazarchuk, O.P.; Olekseyuk, I.D.","Crystal structures of the compounds Cu2 Co Si(Ge, Sn) S4 and Cu2 Co Ge(Sn) Se4","Journal of Alloys Compd.","2004","377","","306","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533623","6.4538","","6.8393","","9.9924","","97.556","","102.65","","101.308","","414.926","","","","","","","","","","","","","4","P -1","-P 1","2","","Zn2 Fe (V3 O10.88)","","- Fe O10.88 V3 Zn2 -","- Fe O10.88 V3 Zn2 -","- Fe2 O21.76 V6 Zn4 -","2","1","","Guskos, N.; Typek, J.; Wabia, M.; Beskrovnyi, A.; Gasiorek, G.; Kurzawa, M.; Anagnostakis, E.A.","Neutron studies of cation disorder in Zn2 Fe V3 O11-d","Journal of Alloys Compd.","2004","377","","47","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533625","5.5068","","5.5068","","13.3326","","90","","90","","120","","350.142","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- La0.948 Mn0.948 O3 -","- La0.948 Mn0.948 O3 -","- La5.688 Mn5.688 O18 -","6","0.166667","","Barnabe, A.; Gaudon, M.; Durand, B.; Laberty, C.; Bernard, C.","Low temperature synthesis and structural characterization of over-stoichiometric La Mn O3+d perovskites","Materials Research Bulletin","2004","39","","725","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533629","5.5132","","5.5132","","13.367","","90","","90","","120","","351.862","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- La0.932 Mn0.932 O3 -","- La0.932 Mn0.932 O3 -","- La5.592 Mn5.592 O18 -","6","0.166667","","Barnabe, A.; Gaudon, M.; Laberty, C.; Bernard, C.; Durand, B.","Low temperature synthesis and structural characterization of over-stoichiometric La Mn O3+d perovskites","Materials Research Bulletin","2004","39","","725","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533633","5.3611","","5.4316","","7.6318","","90","","91.056","","90","","222.195","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","La (Co O3)","","- Co La O3 -","- Co La O3 -","- Co4 La4 O12 -","4","0.5","","Haas, O.; Struis, R.P.W.J.; McBreen, J.M.","Synchrotron X-ray absorption of La Co O3 perovskite","Journal of Solid State Chemistry","2004","177","","1000","1010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533640","4.20329","","4.20329","","14.4146","","90","","90","","90","","254.672","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Nd (Ga1.34 Si0.66)","","- Ga1.34 Nd Si0.66 -","- Ga1.34 Nd Si0.66 -","- Ga5.36 Nd4 Si2.64 -","4","0.125","","Tokaychuk, Ya.O.; Fedorchuk, A.O.; Bodak, O.I.; Mokra, I.R.","Phase relations in the Nd - Ga - Si system at 870 K","Journal of Alloys Compd.","2004","367","","64","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533642","3.87106","","3.87106","","33.0576","","90","","90","","90","","495.372","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Bi1.9 Sr1.04 Ca (Nb2 Ti O12)","","- Bi1.9 Ca Nb2 O12 Sr1.04 Ti -","- Bi1.9 Ca Nb2 O12 Sr1.04 Ti -","- Bi3.8 Ca2 Nb4 O24 Sr2.08 Ti2 -","2","0.0625","","Haluska, M.S.; Misture, S.T.","Crystal structure refinements of the three-layer Aurivillius ceramics Bi2 Sr2-x Ax Nb2 Ti O12 (A = Ca, Ba, x = 0, 0.5, 1) using combined X-ray and neutron powder diffraction","Journal of Solid State Chemistry","2004","177","","1965","1975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533643","4.1922","","4.1922","","14.2967","","90","","90","","90","","251.258","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Nd (Ga1.04 Si0.96)","","- Ga1.04 Nd Si0.96 -","- Ga1.04 Nd Si0.96 -","- Ga4.16 Nd4 Si3.84 -","4","0.125","","Tokaychuk, Ya.O.; Mokra, I.R.; Fedorchuk, A.O.; Bodak, O.I.","Phase relations in the Nd - Ga - Si system at 870 K","Journal of Alloys Compd.","2004","367","","64","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533644","5.39596","","5.39596","","20.2297","","90","","90","","90","","589.016","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","La3 (Li Mn O7)","","- La3 Li Mn O7 -","- La3 Li Mn O7 -","- La12 Li4 Mn4 O28 -","4","0.25","","Battle, P.D.; Burley, J.C.; Sloan, J.; Gallon, D.J.; Grey, C.P.","Magnetism and structural chemistry of the n=2 Ruddlesden-Popper phase La3 Li Mn O7","Journal of Solid State Chemistry","2004","177","","119","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533646","3.88124","","3.88124","","33.1266","","90","","90","","90","","499.02","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Bi1.94 Sr1.56 Ca0.5 (Nb2 Ti O12)","","- Bi1.94 Ca0.5 Nb2 O12 Sr1.56 Ti -","- Bi1.94 Ca0.5 Nb2 O12 Sr1.56 Ti0.999 -","- Bi3.88 Ca Nb4 O24 Sr3.12 Ti1.998 -","2","0.0625","","Haluska, M.S.; Misture, S.T.","Crystal structure refinements of the three-layer Aurivillius ceramics Bi2 Sr2-x Ax Nb2 Ti O12 (A = Ca, Ba, x = 0, 0.5, 1) using combined X-ray and neutron powder diffraction","Journal of Solid State Chemistry","2004","177","","1965","1975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533647","4.21572","","4.19796","","14.1025","","90","","90","","90","","249.578","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Nd (Ga0.86 Si1.14)","","- Ga0.86 Nd Si1.14 -","- Ga0.86 Nd Si1.14 -","- Ga3.44 Nd4 Si4.56 -","4","0.25","","Tokaychuk, Ya.O.; Fedorchuk, A.O.; Bodak, O.I.; Mokra, I.R.","Phase relations in the Nd - Ga - Si system at 870 K","Journal of Alloys Compd.","2004","367","","64","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533650","3.89257","","3.89257","","33.1876","","90","","90","","90","","502.862","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Bi2 Sr2 (Nb2 Ti O12)","","- Bi2 Nb2 O12 Sr2 Ti -","- Bi2 Nb1.999 O12 Sr2 Ti -","- Bi4 Nb3.998 O24 Sr4 Ti2 -","2","0.0625","","Haluska, M.S.; Misture, S.T.","Crystal structure refinements of the three-layer Aurivillius ceramics Bi2 Sr2-x Ax Nb2 Ti O12 (A = Ca, Ba, x = 0, 0.5, 1) using combined X-ray and neutron powder diffraction","Journal of Solid State Chemistry","2004","177","","1965","1975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533651","4.2087","","4.20268","","14.078","","90","","90","","90","","249.009","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Nd (Ga0.71 Si1.29)","","- Ga0.71 Nd Si1.29 -","- Ga0.71 Nd Si1.29 -","- Ga2.84 Nd4 Si5.16 -","4","0.25","","Tokaychuk, Ya.O.; Bodak, O.I.; Fedorchuk, A.O.; Mokra, I.R.","Phase relations in the Nd - Ga - Si system at 870 K","Journal of Alloys Compd.","2004","367","","64","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533653","3.90596","","3.90596","","33.4777","","90","","90","","90","","510.753","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Bi2 Sr1.5 Ba0.5 (Nb2 Ti O12)","","- Ba0.5 Bi2 Nb2 O12 Sr1.5 Ti -","- Ba0.5 Bi2 Nb2 O12 Sr1.5 Ti -","- Ba Bi4 Nb4 O24 Sr3 Ti2 -","2","0.0625","","Haluska, M.S.; Misture, S.T.","Crystal structure refinements of the three-layer Aurivillius ceramics Bi2 Sr2-x Ax Nb2 Ti O12 (A = Ca, Ba, x = 0, 0.5, 1) using combined X-ray and neutron powder diffraction","Journal of Solid State Chemistry","2004","177","","1965","1975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533656","3.9069","","3.8834","","11.7274","","90","","90","","90","","177.929","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Pr (Ba1.8 Sr0.2) (Cu3 O6.77)","","- Ba1.8 Cu3 O6.77 Pr Sr0.2 -","- Ba1.8 Cu3 O6.77 Pr Sr0.2 -","- Ba1.8 Cu3 O6.77 Pr Sr0.2 -","1","0.125","","Song, G.B.; Liang, J.K.; Yang, L.T.; Rao, G.H.; Liu, G.Y.; Liu, Q.L.; Yang, H.F.","Subsolidus phase relation and crystal structure of the Pr Ba2-x Srx Cu3 O7+d system","Journal of Alloys Compd.","2004","370","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533657","3.92203","","3.92203","","33.6642","","90","","90","","90","","517.833","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Bi2 Sr Ba (Nb2 Ti O12)","","- Ba Bi2 Nb2 O12 Sr Ti -","- Ba Bi2 Nb1.999 O12 Sr Ti0.998 -","- Ba2 Bi4 Nb3.998 O24 Sr2 Ti1.996 -","2","0.0625","","Haluska, M.S.; Misture, S.T.","Crystal structure refinements of the three-layer Aurivillius ceramics Bi2 Sr2-x Ax Nb2 Ti O12 (A = Ca, Ba, x = 0, 0.5, 1) using combined X-ray and neutron powder diffraction","Journal of Solid State Chemistry","2004","177","","1965","1975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533659","3.8921","","3.8921","","11.7197","","90","","90","","90","","177.535","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Pr (Ba1.7 Sr0.3) (Cu3 O6.80)","","- Ba1.7 Cu3 O6.8 Pr Sr0.3 -","- Ba1.7 Cu3 O6.8 Pr Sr0.3 -","- Ba1.7 Cu3 O6.8 Pr Sr0.3 -","1","0.0625","","Song, G.B.; Liang, J.K.; Yang, L.T.; Liu, G.Y.; Liu, Q.L.; Yang, H.F.; Rao, G.H.","Subsolidus phase relation and crystal structure of the Pr Ba2-x Srx Cu3 O7+d system","Journal of Alloys Compd.","2004","370","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533660","5.3625","","5.3663","","12.0857","","90","","90","","90","","347.788","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Pr2 Ca2 (Mn Ni O8)","","- Ca2 Mn Ni O8 Pr2 -","- Ca2 Mn Ni O8 Pr2 -","- Ca4 Mn2 Ni2 O16 Pr4 -","2","0.25","","Han Duk-Kyun; Kim Sang-Hwan; Kwon Young-Uk; Lee Jeong-Soo; Kim Sung-Hyun; Hong Kun-Pyo","Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds","Journal of Solid State Chemistry","2004","177","","1078","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533662","3.889","","3.889","","11.6997","","90","","90","","90","","176.95","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Pr (Ba1.6 Sr0.4) (Cu3 O6.84)","","- Ba1.6 Cu3 O6.84 Pr Sr0.4 -","- Ba1.6 Cu3 O6.84 Pr Sr0.4 -","- Ba1.6 Cu3 O6.84 Pr Sr0.4 -","1","0.0625","","Song, G.B.; Liang, J.K.; Liu, G.Y.; Liu, Q.L.; Yang, L.T.; Yang, H.F.; Rao, G.H.","Subsolidus phase relation and crystal structure of the Pr Ba2-x Srx Cu3 O7+d system","Journal of Alloys Compd.","2004","370","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533663","5.3568","","5.3747","","12.0182","","90","","90","","90","","346.018","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Nd2 Ca2 (Mn Ni O8)","","- Ca2 Mn Nd2 Ni O8 -","- Ca2 Mn Nd2 Ni O8 -","- Ca4 Mn2 Nd4 Ni2 O16 -","2","0.25","","Han Duk-Kyun; Kim Sang-Hwan; Kim Sung-Hyun; Hong Kun-Pyo; Kwon Young-Uk; Lee Jeong-Soo","Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds","Journal of Solid State Chemistry","2004","177","","1078","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533665","3.8847","","3.8847","","11.6802","","90","","90","","90","","176.265","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Pr (Ba1.5 Sr0.5) (Cu3 O6.84)","","- Ba1.5 Cu3 O6.84 Pr Sr0.5 -","- Ba1.5 Cu3 O6.84 Pr Sr0.5 -","- Ba1.5 Cu3 O6.84 Pr Sr0.5 -","1","0.0625","","Song, G.B.; Yang, L.T.; Liang, J.K.; Liu, Q.L.; Liu, G.Y.; Rao, G.H.; Yang, H.F.","Subsolidus phase relation and crystal structure of the Pr Ba2-x Srx Cu3 O7+d system","Journal of Alloys Compd.","2004","370","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533666","5.3673","","5.3405","","11.9038","","90","","90","","90","","341.211","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Sm2 Ca2 (Mn Ni O8)","","- Ca2 Mn Ni O8 Sm2 -","- Ca2 Mn Ni O8 Sm2 -","- Ca4 Mn2 Ni2 O16 Sm4 -","2","0.25","","Han Duk-Kyun; Lee Jeong-Soo; Hong Kun-Pyo; Kim Sang-Hwan; Kim Sung-Hyun; Kwon Young-Uk","Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds","Journal of Solid State Chemistry","2004","177","","1078","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533668","3.879","","3.879","","11.6579","","90","","90","","90","","175.412","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Pr (Ba1.4 Sr0.6) (Cu3 O6.86)","","- Ba1.4 Cu3 O6.86 Pr Sr0.6 -","- Ba1.4 Cu3 O6.86 Pr Sr0.6 -","- Ba1.4 Cu3 O6.86 Pr Sr0.6 -","1","0.0625","","Song, G.B.; Liang, J.K.; Yang, H.F.; Yang, L.T.; Liu, G.Y.; Liu, Q.L.; Rao, G.H.","Subsolidus phase relation and crystal structure of the Pr Ba2-x Srx Cu3 O7+d system","Journal of Alloys Compd.","2004","370","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533669","5.3889","","5.3175","","11.8087","","90","","90","","90","","338.384","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Gd2 Ca2 (Mn Ni O8)","","- Ca2 Gd2 Mn Ni O8 -","- Ca2 Gd2 Mn Ni O8 -","- Ca4 Gd4 Mn2 Ni2 O16 -","2","0.25","","Han Duk-Kyun; Kwon Young-Uk; Kim Sang-Hwan; Hong Kun-Pyo; Kim Sung-Hyun; Lee Jeong-Soo","Crystal structure and magnetism of layered Ln2 Ca2 Mn Ni O8 (Ln = Pr, Nd, Sm and Gd) compounds","Journal of Solid State Chemistry","2004","177","","1078","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533672","11.278","","12.448","","27.486","","90","","90","","90","","3858.72","","","","","","","","","","","","","4","C c c m","-C 2 2c","66","","Ca10 Pr4 (Cu24 O41)","","- Ca10 Cu24 O41 Pr4 -","- Ca10 Cu24 O41 Pr4 -","- Ca40 Cu96 O164 Pr16 -","4","0.25","","Song, G.B.; Chen, X.L.; Han, C.Q.; Liang, J.K.; Liu, Q.L.; Liu, F.S.; Zhou, Y.Q.; Rao, G.H.","Subsolidus phase relation and crystal structure of compounds in the Pr Ox - Ca O - Cu O system","Journal of Solid State Chemistry","2004","177","","2394","2403","","","","","","","","","","","","","","","","","","","","","","has coordinates","159935","2020-10-21","18:00:00",""
"1533673","5.5049","","7.8008","","5.5442","","90","","90","","90","","238.082","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La ((Mn0.9 Rh0.1) O3)","","- La Mn0.9 O3 Rh0.1 -","- La Mn0.9 O3 Rh0.1 -","- La4 Mn3.6 O12 Rh0.4 -","4","0.5","","Haque, M.T.; Satoh, H.; Kamegashira, N.","Temperature-induced phase transition of rhodium-doped La Mn1-x Rhx O3 (0.1 < x < 0.5) - type compounds","Materials Letters","2004","58","","1571","1575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533675","14.123","","6.3693","","15.543","","90","","136.6","","90","","960.651","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca2.4 Pr1.6 (Cu5 O10)","","- Ca2.4 Cu5 O10 Pr1.6 -","- Ca2.4 Cu5 O10 Pr1.6 -","- Ca9.6 Cu20 O40 Pr6.4 -","4","1","","Song, G.B.; Han, C.Q.; Chen, X.L.; Liu, Q.L.; Liang, J.K.; Rao, G.H.; Zhou, Y.Q.; Liu, F.S.","Subsolidus phase relation and crystal structure of compounds in the Pr Ox - Ca O - Cu O system","Journal of Solid State Chemistry","2004","177","","2394","2403","","","","","","","","","","","","","","","","","","","","","","has coordinates","159939","2020-10-21","18:00:00",""
"1533676","5.5548","","5.5548","","13.4223","","90","","90","","120","","358.669","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La ((Mn0.9 Rh0.1) O3)","","- La Mn0.9 O3 Rh0.1 -","- La Mn0.9 O3 Rh0.1 -","- La6 Mn5.4 O18 Rh0.6 -","6","0.166667","","Haque, M.T.; Satoh, H.; Kamegashira, N.","Temperature-induced phase transition of rhodium-doped La Mn1-x Rhx O3 (0.1 < x < 0.5) - type compounds","Materials Letters","2004","58","","1571","1575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533678","8.6518","","8.6518","","9.262","","90","","90","","120","","600.411","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al11.45 Co4.55 U3 -","- Al11.46 Co4.54 U3 -","- Al22.92 Co9.08 U6 -","2","0.0833333","","Tougait, O.; Noel, H.; Troc, R.","Spin-glass like behaviour in a new ternary uranium cobalt aluminide U3 Co4+x Al12-x with x= 0.55(2)","Journal of Solid State Chemistry","2004","177","","2053","2057","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533679","3.1604","","3.1604","","3.1604","","90","","90","","90","","31.566","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","V D0.77","","- D0.77 V -","- D0.7701 V -","- D1.5402 V2 -","2","0.0208333","","Sorby, M.H.; Mellergard, A.; Fjellvag, H.; Wannberg, A.; Delaplane, R.G.; Hauback, B.C.","Reverse Monte Carlo investigation of the short range order in alpha-(V D0.8)","Journal of Alloys Compd.","2004","363","","209","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533680","4.6069","","4.6069","","2.9917","","90","","90","","90","","63.494","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Ni0.1 Ti0.7 Sb0.2) O2","","- Ni0.1 O2 Sb0.2 Ti0.7 -","- Ni0.1 O2 Sb0.2 Ti0.7 -","- Ni0.2 O4 Sb0.4 Ti1.4 -","2","0.125","","Sorli, S.; Calbo, J.; Tena, M.A.; Llusar, M.; Badenes, J.A.; Monros, G.","Structure and colour of Nix A1-3x B2x O2 (A = Ti, Sn; B = Sb, Nb) solid solutions","Journal of the European Ceramic Society","2004","24","","2425","2432","","","","","","","","","","","","","","","","","","","","","","has coordinates","159946","2020-10-21","18:00:00",""
"1533681","5.6953","","7.7213","","5.5337","","90","","90","","90","","243.345","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La ((Mn0.9 Rh0.1) O3)","","- La Mn0.9 O3 Rh0.1 -","- La Mn0.9 O3 Rh0.1 -","- La4 Mn3.6 O12 Rh0.4 -","4","0.5","","Haque, M.T.; Satoh, H.; Kamegashira, N.","Crystallographic phase transition, electrical and magnetic properties of stoichiometric La (Mn, Rh) O3","Materials Research Bulletin","2004","39","","375","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533684","4.6327","","4.6327","","2.9828","","90","","90","","90","","64.017","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Ni0.1 Ti0.7 Nb0.2) O2","","- Nb0.2 Ni0.1 O2 Ti0.7 -","- Nb0.2 Ni0.1 O2 Ti0.7 -","- Nb0.4 Ni0.2 O4 Ti1.4 -","2","0.125","","Sorli, S.; Llusar, M.; Tena, M.A.; Monros, G.; Calbo, J.; Badenes, J.A.","Structure and colour of Nix A1-3x B2x O2 (A = Ti, Sn; B = Sb, Nb) solid solutions","Journal of the European Ceramic Society","2004","24","","2425","2432","","","","","","","","","","","","","","","","","","","","","","has coordinates","159951","2020-10-21","18:00:00",""
"1533687","4.7248","","4.7248","","3.1737","","90","","90","","90","","70.849","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Ni0.1 Sn0.7 Sb0.2) O2","","- Ni0.1 O2 Sb0.2 Sn0.7 -","- Ni0.1 O2 Sb0.2 Sn0.7 -","- Ni0.2 O4 Sb0.4 Sn1.4 -","2","0.125","","Sorli, S.; Tena, M.A.; Llusar, M.; Calbo, J.; Badenes, J.A.; Monros, G.","Structure and colour of Nix A1-3x B2x O2 (A = Ti, Sn; B = Sb, Nb) solid solutions","Journal of the European Ceramic Society","2004","24","","2425","2432","","","","","","","","","","","","","","","","","","","","","","has coordinates","159954","2020-10-21","18:00:00",""
"1533689","3.9184","","3.9086","","7.9081","","90","","90","","90","","121.116","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.64 Li0.08) (Nb2 O6)","","- La0.64 Li0.08 Nb2 O6 -","- La0.64 Li0.08 Nb2 O6 -","- La0.64 Li0.08 Nb2 O6 -","1","0.125","","Belous, A.; Kovalenko, L.; Gavrilenko, O.; Pashkova, E.; V'yunov, O.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159956","2020-10-21","18:00:00",""
"1533691","3.906","","3.907","","7.8785","","90","","90","","90","","120.232","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.56 Li0.32) (Nb2 O6)","","- La0.56 Li0.32 Nb2 O6 -","- La0.56 Li0.32 Nb2 O6 -","- La0.56 Li0.32 Nb2 O6 -","1","0.125","","Belous, A.; Kovalenko, L.; Pashkova, E.; Gavrilenko, O.; V'yunov, O.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159958","2020-10-21","18:00:00",""
"1533692","5.5538","","5.5538","","5.5538","","60.519","","60.519","","60.519","","122.552","","","","","","","","","","","","","4","R -3 c :R","-P 3* 2n","167","","La ((Mn0.9 Rh0.1) O3)","","- La Mn0.9 O3 Rh0.1 -","- La Mn0.9 O3 Rh0.1 -","- La2 Mn1.8 O6 Rh0.2 -","2","0.166667","","Haque, M.T.; Satoh, H.; Kamegashira, N.","Crystallographic phase transition, electrical and magnetic properties of stoichiometric La (Mn, Rh) O3","Materials Research Bulletin","2004","39","","375","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533693","4.7341","","4.7341","","3.1791","","90","","90","","90","","71.249","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","(Ni0.1 Sn0.7 Nb0.2) O2","","- Nb0.2 Ni0.1 O2 Sn0.7 -","- Nb0.2 Ni0.1 O2 Sn0.7 -","- Nb0.4 Ni0.2 O4 Sn1.4 -","2","0.125","","Sorli, S.; Badenes, J.A.; Tena, M.A.; Calbo, J.; Llusar, M.; Monros, G.","Structure and colour of Nix A1-3x B2x O2 (A = Ti, Sn; B = Sb, Nb) solid solutions","Journal of the European Ceramic Society","2004","24","","2425","2432","","","","","","","","","","","","","","","","","","","","","","has coordinates","159960","2020-10-21","18:00:00",""
"1533695","3.9002","","3.9005","","7.8521","","90","","90","","90","","119.452","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.5 Li0.5) (Nb2 O6)","","- La0.5 Li0.5 Nb2 O6 -","- La0.5 Li0.5 Nb2 O6 -","- La0.5 Li0.5 Nb2 O6 -","1","0.125","","Belous, A.; Pashkova, E.; Gavrilenko, O.; V'yunov, O.; Kovalenko, L.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159962","2020-10-21","18:00:00",""
"1533696","7.8577","","7.8577","","7.8577","","90","","90","","90","","485.162","","","","","","","","","","","","","6","P -4 3 m","P -4 2 3","215","","H Cs3 (Ti O)3.84 (Ge O)0.16 (Si O4)2.19 (Ge O4)0.81 (H2 O)4","","- Cs3 Ge0.97 H9 O20 Si2.19 Ti3.84 -","- Cs3 Ge0.97 O20 Si2.19 Ti3.84 -","- Cs3 Ge0.97 O20 Si2.19 Ti3.84 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533698","3.8948","","3.9112","","7.7936","","90","","90","","90","","118.723","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.46 Li0.54) Li0.08 (Nb2 O6)","","- La0.46 Li0.62 Nb2 O6 -","- La0.46 Li0.62 Nb2 O6 -","- La0.46 Li0.62 Nb2 O6 -","1","0.125","","Belous, A.; Pashkova, E.; Gavrilenko, O.; V'yunov, O.; Kovalenko, L.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159966","2020-10-21","18:00:00",""
"1533699","7.9","","7.9","","7.9","","90","","90","","90","","493.039","","","","","","","","","","","","","6","P -4 3 m","P -4 2 3","215","","H Cs3 (Ti O)3.72 (Ge O)0.28 (Si O4)1.53 (Ge O4)1.47 (H2 O)4.5","","- Cs3 Ge1.75 H10 O20.5 Si1.53 Ti3.72 -","- Cs3 Ge1.75 O20.5 Si1.53 Ti3.72 -","- Cs3 Ge1.75 O20.5 Si1.53 Ti3.72 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533702","3.8943","","3.9","","7.794","","90","","90","","90","","118.373","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","(La0.42 Li0.58) Li0.16 (Nb2 O6)","","- La0.42 Li0.74 Nb2 O6 -","- La0.42 Li0.74 Nb2 O6 -","- La0.42 Li0.74 Nb2 O6 -","1","0.125","","Belous, A.; Pashkova, E.; V'yunov, O.; Gavrilenko, O.; Kovalenko, L.","Solid electrolytes based on lithium-containing lanthanum metaniobates","Journal of the European Ceramic Society","2004","24","","1301","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","159971","2020-10-21","18:00:00",""
"1533703","7.9306","","7.9306","","7.9306","","90","","90","","90","","498.79","","","","","","","","","","","","","6","P -4 3 m","P -4 2 3","215","","H Cs3 (Ti O)3.55 (Ge O)0.45 (Si O4)0.79 (Ge O4)2.21 (H2 O)5","","- Cs3 Ge2.66 H11 O21 Si0.79 Ti3.55 -","- Cs3 Ge2.66 O21 Si0.78 Ti3.56 -","- Cs3 Ge2.66 O21 Si0.78 Ti3.56 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533707","7.9769","","7.9769","","7.9769","","90","","90","","90","","507.578","","","","","","","","","","","","","5","P -4 3 m","P -4 2 3","215","","H Cs3 (Ti O)3.55 (Ge O)0.45 (Ge O4)3 (H2 O)4.5","","- Cs3 Ge3.45 H10 O20.5 Ti3.55 -","- Cs3 Ge3.44 O20.5 Ti3.56 -","- Cs3 Ge3.44 O20.5 Ti3.56 -","1","0.0416667","","Tripathi, A.; Clearfield, A.; Medvedev, D.G.; Delgado, J.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533711","7.8773","","7.8773","","7.8773","","90","","90","","90","","488.801","","","","","","","","","","","","","6","P -4 3 m","P -4 2 3","215","","H3.64 Cs0.36 (Ti O)3.84 (Ge O)0.16 (Si O4)2.19 (Ge O4)0.81 (H2 O)7.2","","- Cs0.36 Ge0.97 H18.04 O23.2 Si2.19 Ti3.84 -","- Cs0.36 Ge0.97 O23.2 Si2.19 Ti3.84 -","- Cs0.36 Ge0.97 O23.2 Si2.19 Ti3.84 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533715","7.9275","","7.9275","","7.9275","","90","","90","","90","","498.206","","","","","","","","","","","","","6","P -4 3 m","P -4 2 3","215","","H3.62 Cs0.36 (Ti O)3.72 (Ge O)0.28 (Si O4)1.53 (Ge O4)1.47 (H2 O)7.26","","- Cs0.36 Ge1.75 H18.14 O23.26 Si1.53 Ti3.72 -","- Cs0.36 Ge1.75 O23.26 Si1.53 Ti3.72 -","- Cs0.36 Ge1.75 O23.26 Si1.53 Ti3.72 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533719","7.9757","","7.9757","","7.9757","","90","","90","","90","","507.349","","","","","","","","","","","","","6","P -4 3 m","P -4 2 3","215","","H3.59 Cs0.41 (Ti O)3.55 (Ge O)0.45 (Si O4)0.79 (Ge O4)2.21 (H2 O)7.1","","- Cs0.41 Ge2.66 H17.79 O23.1 Si0.79 Ti3.55 -","- Cs0.42 Ge2.66 O23.1 Si0.78 Ti3.56 -","- Cs0.42 Ge2.66 O23.1 Si0.78 Ti3.56 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Clearfield, A.; Delgado, J.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533721","8.242","","7.964","","20.72","","90","","90","","90","","1360.05","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Y2 (Ge6.66 Ga0.34)","","- Ga0.34 Ge6.66 Y2 -","- Ga0.35 Ge6.65 Y2 -","- Ga2.8 Ge53.2 Y16 -","8","","","Speka, M.V.; Zakharenko, M.I.; Markiv, V.Ya.; Belyavina, N.M.","Isothermal section of the Y - Ge - Ga system at 600 C in the region up to 37 at% Y","Journal of Alloys Compd.","2004","368","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","159990","2020-10-21","18:00:00",""
"1533723","8.0237","","8.0237","","8.0237","","90","","90","","90","","516.564","","","","","","","","","","","","","5","P -4 3 m","P -4 2 3","215","","H3.65 Cs0.35 (Ti O)3.55 (Ge O)0.45 (Ge O4)3 (H2 O)7.14","","- Cs0.35 Ge3.45 H17.93 O23.14 Ti3.55 -","- Cs0.36 Ge3.44 O23.14 Ti3.56 -","- Cs0.36 Ge3.44 O23.14 Ti3.56 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533725","3.994","","20.76","","4.134","","90","","90","","90","","342.772","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Y (Ge2.64 Ga0.66)","","- Ga0.66 Ge2.64 Y -","- Ga0.66 Ge2.64 Y -","- Ga2.64 Ge10.56 Y4 -","4","0.25","","Speka, M.V.; Zakharenko, M.I.; Belyavina, N.M.; Markiv, V.Ya.","Isothermal section of the Y - Ge - Ga system at 600 C in the region up to 37 at% Y","Journal of Alloys Compd.","2004","368","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533727","7.7647","","7.7647","","7.7647","","90","","90","","90","","468.138","","","","","","","","","","","","","5","P -4 3 m","P -4 2 3","215","","H K3 (Ti O)4 (Si O4)3 (H2 O)4","","- H9 K3 O20 Si3 Ti4 -","- K3 O20 Si3 Ti4 -","- K3 O20 Si3 Ti4 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","159996","2020-10-21","18:00:00",""
"1533729","8.146","","10.756","","8.359","","90","","90","","100.92","","719.14","","","","","","","","","","","","","3","B 1 1 2/m","-B 2","12","","Y2 (Ge3.876 Ga2.924)","","- Ga2.924 Ge3.876 Y2 -","- Ga2.924 Ge3.876 Y2 -","- Ga11.696 Ge15.504 Y8 -","4","0.5","","Speka, M.V.; Zakharenko, M.I.; Markiv, V.Ya.; Belyavina, N.M.","Isothermal section of the Y - Ge - Ga system at 600 C in the region up to 37 at% Y","Journal of Alloys Compd.","2004","368","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533731","7.7937","","7.7937","","7.7937","","90","","90","","90","","473.403","","","","","","","","","","","","","6","P -4 3 m","P -4 2 3","215","","H K2.2 (Ti O)3.2 (Nb O)0.8 (Si O4)3 (H2 O)4","","- H9 K2.2 Nb0.8 O20 Si3 Ti3.2 -","- K2.19 Nb0.8 O20 Si3 Ti3.2 -","- K2.19 Nb0.8 O20 Si3 Ti3.2 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Clearfield, A.; Delgado, J.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","160000","2020-10-21","18:00:00",""
"1533732","7.397","","7.397","","28.691","","90","","90","","90","","1569.85","","","","","","","","","","","","","5","P 41","P 4w","76","","K4 Li H3 (S O4)4","","- H3 K4 Li O16 S4 -","- H3 K4 Li O16 S4 -","- H12 K16 Li4 O64 S16 -","4","1","","Haznar, A.; Pietraszko, A.","Temperature behaviour of the protonic conductor K4 Li H3 (S O4)4","Journal of Solid State Chemistry","2004","177","","2150","2157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533733","8.425","","22.64","","10.596","","90","","90","","90","","2021.1","","","","","","","","","","","","","3","C 2 2 2","C 2 2","21","","Y (Ge0.51 Ga2.49)","","- Ga2.49 Ge0.51 Y -","- Ga2.49 Ge0.51 Y -","- Ga64.74 Ge13.26 Y26 -","26","3.25","","Speka, M.V.; Zakharenko, M.I.; Markiv, V.Ya.; Belyavina, N.M.","Isothermal section of the Y - Ge - Ga system at 600 C in the region up to 37 at% Y","Journal of Alloys Compd.","2004","368","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533734","9.1628","","9.1628","","11.2309","","90","","90","","120","","816.585","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","La4 Al3 (La0.06 Al0.19)","","- Al3.19 La4.06 -","- Al3.1875 La4.0625 -","- Al12.75 La16.25 -","4","0.333333","","Belyavina, N.M.; Markiv, V.Ya.; Zavodyanny, V.V.","Crystal structure of the ""La5 Al4"" compound","Journal of Alloys Compd.","2004","367","","132","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","160003","2020-10-21","18:00:00",""
"1533735","7.8416","","7.8416","","7.8416","","90","","90","","90","","482.185","","","","","","","","","","","","","6","P -4 3 m","P -4 2 3","215","","H Cs2.76 K0.21 (Ti O)4 (Si O4)3 (H2 O)5","","- Cs2.76 H11 K0.21 O21 Si3 Ti4 -","- Cs2.76 K0.21 O21 Si3 Ti4 -","- Cs2.76 K0.21 O21 Si3 Ti4 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533738","5.849","","5.849","","36.856","","90","","90","","120","","1091.95","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Ba5 Mn Na2 O4.98 (V O4)2","","- Ba5 Mn Na2 O12.98 V2 -","- Ba4.998 Mn Na2 O12.98 V2 -","- Ba14.994 Mn3 Na6 O38.94 V6 -","3","0.0833333","","Bendraoua, A.; Quarez, E.; Abraham, F.; Mentre, O.","Electrosynthesis and crystal structure of the new 15R hexagonal perovskite Ba5 Mn Na2 V2 O13","Journal of Solid State Chemistry","2004","177","","1416","1424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533739","7.8622","","7.8622","","7.8622","","90","","90","","90","","485.996","","","","","","","","","","","","","7","P -4 3 m","P -4 2 3","215","","H Cs2.1 K0.09 (Ti O)3.16 (Nb O)0.84 (Si O4)3 (H2 O)5","","- Cs2.1 H11 K0.09 Nb0.84 O21 Si3 Ti3.16 -","- Cs2.1 K0.09 Nb0.84 O21 Si3 Ti3.16 -","- Cs2.1 K0.09 Nb0.84 O21 Si3 Ti3.16 -","1","0.0416667","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533740","10.35907","","10.35907","","10.35907","","90","","90","","90","","1111.64","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Bi2 (Ti2 O7)","","- Bi2 O7 Ti2 -","- Bi2.0004 O7 Ti2 -","- Bi16.0032 O56 Ti16 -","8","0.0416667","","Hector, A.L.; Wiggin, S.B.","Synthesis and structural study of stoichiometric Bi2 Ti2 O7 pyrochlore","Journal of Solid State Chemistry","2004","177","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","160009","2020-10-21","18:00:00",""
"1533743","10.9311","","10.9311","","7.7993","","90","","90","","90","","931.93","","","","","","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","H Cs1.77 K1.23 (Ge O)4 (Ge O4)3 (H2 O)4","","- Cs1.77 Ge7 H9 K1.23 O20 -","- Cs1.77 Ge7 K1.23 O20 -","- Cs3.54 Ge14 K2.46 O40 -","2","0.25","","Tripathi, A.; Medvedev, D.G.; Delgado, J.; Clearfield, A.","Optimizing Cs-exchange in titanosilicate with the mineral pharmacosiderite topology: framework substitution of Nb and Ge","Journal of Solid State Chemistry","2004","177","","2903","2915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533744","8.107","","3.7048","","15.8379","","90","","103.548","","90","","462.452","","","","","","","","","","","","","4","A 1 2 1","A 2y","5","","Bi0.7 Yb1.3 (W O6)","","- Bi0.7 O6 W Yb1.3 -","- Bi0.7 O6 W Yb1.3 -","- Bi2.8 O24 W4 Yb5.2 -","4","1","","Berdonosov, P.S.; Charkin, D.O.; Dolgikh, V.A.; Smith, R.I.; Stefanovich, S.Yu.; Lightfoot, P.","Bi2-x Lnx W O6 : a novel layered structure type related to the Aurivillius phases","Journal of Solid State Chemistry","2004","177","","2632","2634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533746","11.233","","5.4096","","11.233","","90","","95.13","","90","","679.851","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","Bi6.154 Ti0.846 O8 (P O4)2","","- Bi6.154 O16 P2 Ti0.846 -","- Bi6.154 O16 P2 Ti0.846 -","- Bi12.308 O32 P4 Ti1.692 -","2","0.5","","Steinfink, H.; Lynch, V.","The crystal structure of a bismuth - transition metal phosphate Bi6 Ti P2 O16","Journal of Solid State Chemistry","2004","177","","1412","1415","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533766","3.59","","3.59","","5.16","","90","","90","","90","","66.503","","","","","","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","Zr0.88 O1.78","","- O1.78 Zr0.88 -","- O1.78 Zr0.88 -","- O3.56 Zr1.76 -","2","0.125","","Bhagwat, M.; Ramaswamy, V.","Synthesis of nanocrystalline zirconia by amorphous citrate route: structural and thermal (HTXRD) studies","Materials Research Bulletin","2004","39","","1627","1640","","","","","","","","","","","","","","","","","","","","","","has coordinates","160041","2020-10-21","18:00:00",""
"1533767","5.4521","","7.7046","","5.4647","","90","","90","","90","","229.552","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Nd0.6 Mg0.1 Sr0.3) (Mn O3)","","- Mg0.1 Mn Nd0.6 O3 Sr0.3 -","- Mg0.1 Mn Nd0.6 O3 Sr0.3 -","- Mg0.4 Mn4 Nd2.4 O12 Sr1.2 -","4","0.5","","Tseggai, M.; Mathieu, R.; Nordblad, P.; Tellgren, R.; Bau, L.V.; Khiem, N.V.; Phuc, N.X.; Andre, G.; Nam, D.N.H.; Bouree, F.","Magnesium substitution in Nd0.7 Sr0.3 Mn O3","Journal of Solid State Chemistry","2004","177","","966","971","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533768","16.447","","16.447","","3.7891","","90","","90","","120","","887.647","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Y6 Ni14.92 P10.18","","- Ni14.92 P10.18 Y6 -","- Ni14.919 P10.18 Y6 -","- Ni29.838 P20.36 Y12 -","2","0.166667","","Stojko, S.; Oryshchyn, S.; Guerin, R.; Babizhet'sky, V.S.","Crystal structure of a new ternary phosphide Y6 Ni15-x P10+y (x = 0.08, y = 0.18)","Journal of Alloys Compd.","2004","367","","156","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","160043","2020-10-21","18:00:00",""
"1533769","5.4424","","7.6919","","5.4523","","90","","90","","90","","228.246","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Nd0.6 Mg0.1 Sr0.3) ((Mn0.8 Mg0.2) O3)","","- Mg0.3 Mn0.8 Nd0.6 O3 Sr0.3 -","- Mg0.3 Mn0.8 Nd0.6 O3 Sr0.3 -","- Mg1.2 Mn3.2 Nd2.4 O12 Sr1.2 -","4","0.5","","Tseggai, M.; Bouree, F.; Mathieu, R.; Tellgren, R.; Nordblad, P.; Bau, L.V.; Nam, D.N.H.; Khiem, N.V.; Phuc, N.X.; Andre, G.","Magnesium substitution in Nd0.7 Sr0.3 Mn O3","Journal of Solid State Chemistry","2004","177","","966","971","","","","","","","","","","","","","","","","","","","","","","has coordinates","160046","2020-10-21","18:00:00",""
"1533771","10.593","","7.3955","","7.4534","","90","","90","","90","","583.903","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Gd3 O (Re O6)","","- Gd3 O7 Re -","- Gd3 O7 Re -","- Gd12 O28 Re4 -","4","0.25","","Hinatsu, Y.; Kawabuchi, N.; Wakeshima, M.; Taira, N.","Structures and magnetic properties of rare earth rhenium oxides Ln3 Re O7 (Ln = Gd, Tb and Dy)","Journal of Alloys Compd.","2004","374","","79","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533774","10.51","","7.364","","7.414","","90","","90","","90","","573.811","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tb3 O (Re O6)","","- O7 Re Tb3 -","- O7 Re Tb3 -","- O28 Re4 Tb12 -","4","0.25","","Hinatsu, Y.; Taira, N.; Wakeshima, M.; Kawabuchi, N.","Structures and magnetic properties of rare earth rhenium oxides Ln3 Re O7 (Ln = Gd, Tb and Dy)","Journal of Alloys Compd.","2004","374","","79","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533776","9.706","","9.706","","3.8394","","90","","90","","120","","313.238","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ce2 Rh12 Si7.11 -","- Ce2 Rh12 Si7.112 -","- Ce2 Rh12 Si7.112 -","1","0.0833333","","Tursina, A.I.; Gribanov, A.V.; Bodak, O.I.; Seropegin, Yu.D.","Crystal structures of the ternary cerium rhodium silicides Ce2 Rh12 Si7 and Ce6 Rh30 Si19","Journal of Alloys Compd.","2004","367","","142","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533778","10.561","","7.4613","","7.4567","","90","","90","","90","","587.579","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Dy3 O (Re O6)","","- Dy3 O7 Re -","- Dy3 O7 Re -","- Dy12 O28 Re4 -","4","0.5","","Hinatsu, Y.; Taira, N.; Wakeshima, M.; Kawabuchi, N.","Structures and magnetic properties of rare earth rhenium oxides Ln3 Re O7 (Ln = Gd, Tb and Dy)","Journal of Alloys Compd.","2004","374","","79","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533780","15.698","","15.698","","3.8571","","90","","90","","120","","823.152","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ce6 Rh30 Si19 -","- Ce6 Rh30 Si19 -","- Ce6 Rh30 Si19 -","1","0.0833333","","Tursina, A.I.; Gribanov, A.V.; Seropegin, Yu.D.; Bodak, O.I.","Crystal structures of the ternary cerium rhodium silicides Ce2 Rh12 Si7 and Ce6 Rh30 Si19","Journal of Alloys Compd.","2004","367","","142","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533782","8.3419","","8.3419","","8.3419","","90","","90","","90","","580.49","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 (Ho Ru O6)","","- Ba2 Ho O6 Ru -","- Ba2 Ho O6 Ru -","- Ba8 Ho4 O24 Ru4 -","4","0.0208333","","Hinatsu, Y.; Izumiyama, Y.; Doi, Y.; Morii, Y.; Wakeshima, M.; Alemi, A.; Nakamura, A.","Studies on magnetic and calorimetric properties of double perovskites Ba2 Ho Ru O6 and Ba2 Ho Ir O6","Journal of Solid State Chemistry","2004","177","","38","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533784","4.0413","","17.73","","4.0675","","90","","90","","90","","291.446","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Rh2 Si -","- Ce Rh2 Si -","- Ce4 Rh8 Si4 -","4","0.25","","Tursina, A.I.; Bodak, O.I.; Gribanov, A.V.; Seropegin, Yu.D.; Novitskii, A.A.","Crystal structure of the ternary silicide Ce Rh2 Si","Journal of Alloys Compd.","2004","367","","146","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533787","10.819","","10.819","","19.9513","","90","","90","","120","","2022.44","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Pb4 Er3 F17","","- Er3 F17 Pb4 -","- Er3 F17.0001 Pb4 -","- Er18 F102.001 Pb24 -","6","0.333333","","Tyagi, A.K.; Patwe, S.J.; Achary, S.N.; Mallia, M.B.","Phase relation studies in Pb1-x M'x F2+x systems (0.0 < x < 1.0; M'= Nd(3+), Eu(3+) and Er (3+))","Journal of Solid State Chemistry","2004","177","","1746","1757","","","","","","","","","","","","","","","","","","","","","","has coordinates","160065","2020-10-21","18:00:00",""
"1533790","9.009","","5.767","","7.399","","90","","90","","90","","384.414","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K (Al H4)","","- Al H4 K -","- Al H4 K -","- Al4 H16 K4 -","4","0.5","","Vajeeston, P.; Ravindran, P.; Kjekshus, A.; Fjellvag, H.","Crystal structure of K Al H4 from first principle calculations","Journal of Alloys Compd.","2004","363","","L7","L11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533793","5.442","","5.442","","12.661","","90","","90","","90","","374.96","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","K (Al H4)","","- Al H4 K -","- Al H4 K -","- Al4 H16 K4 -","4","0.25","","Vajeeston, P.; Ravindran, P.; Fjellvag, H.; Kjekshus, A.","Crystal structure of K Al H4 from first principle calculations","Journal of Alloys Compd.","2004","363","","L7","L11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533796","4.3222","","4.3222","","4.3222","","90","","90","","90","","80.745","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Rb (U O3)","","- O3 Rb U -","- O3 Rb U -","- O3 Rb U -","1","0.0208333","","Van den Berghe, S.; Leenaers, A.; Ritter, C.","Antiferromagnetism in M U O3 (M= Na, K, Rb) studied by neutron diffraction","Journal of Solid State Chemistry","2004","177","","2231","2236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533800","5.7739","","5.9051","","8.2784","","90","","90","","90","","282.256","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Na (U O3)","","- Na O3 U -","- Na O3 U -","- Na4 O12 U4 -","4","0.5","","Van den Berghe, S.; Leenaers, A.; Ritter, C.","Antiferromagnetism in M U O3 (M= Na, K, Rb) studied by neutron diffraction","Journal of Solid State Chemistry","2004","177","","2231","2236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533819","10.222","","10.222","","19.667","","90","","90","","120","","1779.67","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Al77.69 Fe25.46 Si19.85 -","- Al77.691 Fe25.479 Si19.83 -","- Al77.691 Fe25.479 Si19.83 -","1","0.0555556","","Sugiyama, K.; Kaji, N.; Hiraga, K.","Crystal structure of rhombohedral lambda-(Al Fe Si)","Journal of Alloys Compd.","2004","368","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533836","4.2136","","4.2136","","10.0165","","90","","90","","90","","177.837","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ho Pd2 Ge2","","- Ge2 Ho Pd2 -","- Ge2 Ho Pd2 -","- Ge4 Ho2 Pd4 -","2","0.0625","","Szytula, A.; Penc, B.; Wawrzynska, E.; Hernandez-Velasco, J.; Zygmunt, A.","Magnetic structure of Ho Pd2 Ge2","Journal of Alloys Compd.","2004","365","","39","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533840","5.0864","","5.0864","","3.9194","","90","","90","","120","","87.816","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Gd0.42 Co3 Ge3","","- Co3 Gd0.42 Ge3 -","- Co3 Gd0.42 Ge3 -","- Co3 Gd0.42 Ge3 -","1","0.0416667","","Szytula, A.; Zygmunt, A.; Wawrzynska, E.","Crystal structure and magnetic properties of Gd Co6 X6 (X = Ge, Sn)and Tb Co6 Ge6","Journal of Alloys Compd.","2004","366","","L16","L18","","","","","","","","","","","","","","","","","","","","","","has coordinates","160122","2020-10-21","18:00:00",""
"1533842","5.368","","5.368","","4.272","","90","","90","","120","","106.607","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Gd0.34 Co3 Sn2.92","","- Co3 Gd0.34 Sn2.92 -","- Co3 Gd0.34 Sn2.92 -","- Co3 Gd0.34 Sn2.92 -","1","0.0416667","","Szytula, A.; Wawrzynska, E.; Zygmunt, A.","Crystal structure and magnetic properties of Gd Co6 X6 (X = Ge, Sn)and Tb Co6 Ge6","Journal of Alloys Compd.","2004","366","","L16","L18","","","","","","","","","","","","","","","","","","","","","","has coordinates","160125","2020-10-21","18:00:00",""
"1533844","5.0941","","5.0941","","3.9226","","90","","90","","120","","88.154","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Tb0.45 Co3 Ge3.08","","- Co3 Ge3.08 Tb0.45 -","- Co3 Ge3.08 Tb0.45 -","- Co3 Ge3.08 Tb0.45 -","1","0.0416667","","Szytula, A.; Wawrzynska, E.; Zygmunt, A.","Crystal structure and magnetic properties of Gd Co6 X6 (X = Ge, Sn)and Tb Co6 Ge6","Journal of Alloys Compd.","2004","366","","L16","L18","","","","","","","","","","","","","","","","","","","","","","has coordinates","160128","2020-10-21","18:00:00",""
"1533846","7.1","","4.583","","7.88","","90","","90","","90","","256.41","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ho Pd Sn -","- Ho Pd Sn -","- Ho4 Pd4 Sn4 -","4","0.5","","Szytula, A.; Penc, B.; Oles, A.; Stuesser, N.","Magnetic structure of the Ho Pd Sn compound","Journal of Alloys Compd.","2004","370","","L14","L16","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533849","6.179","","9.877","","4.7898","","90","","90","","90","","292.321","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Ti3 Sn D0.8","","- D0.8 Sn Ti3 -","- D0.804 Sn Ti3 -","- D3.216 Sn4 Ti12 -","4","0.5","","Vennstrom, M.; Grechnev, A.; Eriksson, O.; Andersson, Y.","Phase relations in the (Ti3 Sn) - D system","Journal of Alloys Compd.","2004","364","","127","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533851","6.2865","","6.2865","","5.1426","","90","","90","","90","","203.236","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Nb4 (Co0.88 Si1.12) D2.54","","- Co0.88 D2.54 Nb4 Si1.12 -","- Co0.88 D2.54 Nb4 Si1.12 -","- Co1.76 D5.08 Nb8 Si2.24 -","2","0.0625","","Vennstrom, M.; Andersson, Y.","Hydrogen absorption in Nb4 Co Si and Nb4 Ni Si","Journal of Alloys Compd.","2004","364","","141","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533853","6.3035","","6.3035","","5.1343","","90","","90","","90","","204.007","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Nb4 (Ni0.77 Si1.23) D2.76","","- D2.76 Nb4 Ni0.77 Si1.23 -","- D2.76 Nb4 Ni0.768 Si1.232 -","- D5.52 Nb8 Ni1.536 Si2.464 -","2","0.0625","","Vennstrom, M.; Andersson, Y.","Hydrogen absorption in Nb4 Co Si and Nb4 Ni Si","Journal of Alloys Compd.","2004","364","","141","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","160139","2020-10-21","18:00:00",""
"1533855","3.4708","","8.4437","","6.6083","","90","","90","","90","","193.665","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pd (Ni0.95 Pd0.05)2 P","","- Ni1.9 P Pd1.1 -","- Ni1.896 P Pd1.104 -","- Ni7.584 P4 Pd4.416 -","4","0.25","","Vennstrom, M.; Howing, J.; Gustafsson, T.; Andersson, Y.","The crystal structures of Pd Ni2 P and Pd8 Ni31 P16","Journal of Solid State Chemistry","2004","177","","1449","1455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533857","14.9375","","14.9375","","5.8071","","90","","90","","90","","1295.73","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","Pd8.24 Ni30.76 P16","","- Ni30.76 P16 Pd8.24 -","- Ni30.76 P16 Pd8.24 -","- Ni61.52 P32 Pd16.48 -","2","0.125","","Vennstrom, M.; Howing, J.; Gustafsson, T.; Andersson, Y.","The crystal structures of Pd Ni2 P and Pd8 Ni31 P16","Journal of Solid State Chemistry","2004","177","","1449","1455","","","","","","","","","","","","","","","","","","","","","","has coordinates","160143","2020-10-21","18:00:00",""
"1533864","5.5311","","7.646","","5.3408","","90","","90","","90","","225.867","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (Ru O3)","","- Ca O3 Ru -","- Ca O3 Ru -","- Ca4 O12 Ru4 -","4","0.5","","Vidya, R.; Ravindran, P.; Fjellvag, H.; Kjekshus, A.; Hauback, B.C.","Magnetic properties of Ca-doped Sr Ru O3 from full-potential calculations","Journal of Solid State Chemistry","2004","177","","146","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533874","4.19281","","4.19281","","14.4115","","90","","90","","90","","253.349","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Th (Al0.36 Ge0.64)1.76","","- Al0.6336 Ge1.1264 Th -","- Al0.64 Ge1.12 Th -","- Al2.56 Ge4.48 Th4 -","4","0.125","","Kavecansky, V.; Rogl, P.; Noel, H.; Wochowski, K.; Mihalik, M.; Troc, R.","X-ray investigation of alloys with composition Th37.5 M25 M'37.5; M= Al, Ga, M' = Si, Ge","Journal of Alloys Compd.","2004","365","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533875","6.053","","6.053","","6.053","","90","","90","","90","","221.775","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Th Ge","","- Ge Th -","- Ge Th -","- Ge4 Th4 -","4","0.0208333","","Kavecansky, V.; Rogl, P.; Troc, R.; Noel, H.; Mihalik, M.; Wochowski, K.","X-ray investigation of alloys with composition Th37.5 M25 M'37.5; M= Al, Ga, M' = Si, Ge","Journal of Alloys Compd.","2004","365","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533876","4.18581","","4.18581","","14.292","","90","","90","","90","","250.41","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Th (Ga0.36 Ge0.64)1.62","","- Ga0.5832 Ge1.0368 Th -","- Ga0.58 Ge1.04 Th -","- Ga2.32 Ge4.16 Th4 -","4","0.125","","Kavecansky, V.; Rogl, P.; Noel, H.; Mihalik, M.; Wochowski, K.; Troc, R.","X-ray investigation of alloys with composition Th37.5 M25 M'37.5; M= Al, Ga, M' = Si, Ge","Journal of Alloys Compd.","2004","365","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533882","11.694","","11.694","","7.5461","","90","","90","","90","","1031.93","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Tb Ba (Co1.76 Fe0.24 O5.364)","","- Ba Co1.76 Fe0.24 O5.364 Tb -","- Ba Co1.76 Fe0.24 O5.364 Tb -","- Ba9 Co15.84 Fe2.16 O48.276 Tb9 -","9","0.5625","","Khalyavin, D.D.; Balagurov, A.M.; Beskrovnyi, A.I.; Troyanchuk, I.O.; Sazonov, A.P.; Tsipis, E.V.; Kharton, V.V.","Neutron powder diffraction study of Tb Ba Co2-x Fex O5+g layered oxides","Journal of Solid State Chemistry","2004","177","","2068","2072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533884","9.777","","9.777","","2.8548","","90","","90","","90","","272.89","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Mn O2 ((D0.34 H0.66)2 O)0.1","","- D0.068 H0.132 Mn O2.1 -","- Mn O2.1 -","- Mn8 O16.8 -","8","0.5","","Kijima, N.; Ikeda, T.; Oikawa, K.; Izumi, F.; Yoshimura, Y.","Crystal structure of an open-tunnel oxide alpha-(Mn O2) analyzed by Rietveld refinements and MEM-based pattern fitting","Journal of Solid State Chemistry","2004","177","","1258","1267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533885","9.81359","","9.81359","","2.85077","","90","","90","","90","","274.548","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Mn O2 (H2 O)0.154","","- H0.308 Mn O2.154 -","- Mn O2.15375 -","- Mn8 O17.23 -","8","0.5","","Kijima, N.; Ikeda, T.; Oikawa, K.; Izumi, F.; Yoshimura, Y.","Crystal structure of an open-tunnel oxide alpha-(Mn O2) analyzed by Rietveld refinements and MEM-based pattern fitting","Journal of Solid State Chemistry","2004","177","","1258","1267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533907","5.0722","","4.4704","","7.5309","","90","","90","","90","","170.761","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","Se O2","","- O2 Se -","- O2 Se -","- O8 Se4 -","4","1","","Orosel, D.; Leynaud, O.; Balog, P.; Jansen, M.","Pressure-temperature phase diagram of Se O2. Characterization of new phases","Journal of Solid State Chemistry","2004","177","","1631","1638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533909","5.071","","4.4832","","14.9672","","90","","90","","90","","340.269","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","Se O2","","- O2 Se -","- O2 Se -","- O16 Se8 -","8","2","","Orosel, D.; Leynaud, O.; Balog, P.; Jansen, M.","Pressure-temperature phase diagram of Se O2. Characterization of new phases","Journal of Solid State Chemistry","2004","177","","1631","1638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533911","4.924","","4.924","","8.058","","90","","90","","120","","169.198","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Hf0.8 Ta0.2) Fe2","","- Fe2 Hf0.8 Ta0.2 -","- Fe2 Hf0.8 Ta0.2 -","- Fe8 Hf3.2 Ta0.8 -","4","0.166667","","Ouyang, Z.W.; Rao, G.H.; Liu, G.Y.; Yang, H.F.; Liu, W.F.; Feng, X.M.; Liang, J.K.","Structure and unusual magnetic properties in the itinerant electron system Hf0.8 Ta0.2 (Fe1-x Cox)2","Journal of Alloys Compd.","2004","370","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","160201","2020-10-21","18:00:00",""
"1533913","4.919","","4.919","","8.046","","90","","90","","120","","168.603","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Hf0.8 Ta0.2) (Fe0.9 Co0.1)2","","- Co0.2 Fe1.8 Hf0.8 Ta0.2 -","- Co0.2 Fe1.8 Hf0.8 Ta0.2 -","- Co0.8 Fe7.2 Hf3.2 Ta0.8 -","4","0.166667","","Ouyang, Z.W.; Rao, G.H.; Liu, W.F.; Yang, H.F.; Liu, G.Y.; Liang, J.K.; Feng, X.M.","Structure and unusual magnetic properties in the itinerant electron system Hf0.8 Ta0.2 (Fe1-x Cox)2","Journal of Alloys Compd.","2004","370","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","160203","2020-10-21","18:00:00",""
"1533915","4.912","","4.912","","8.031","","90","","90","","120","","167.81","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Hf0.8 Ta0.2) (Fe0.8 Co0.2)2","","- Co0.4 Fe1.6 Hf0.8 Ta0.2 -","- Co0.4 Fe1.6 Hf0.8 Ta0.2 -","- Co1.6 Fe6.4 Hf3.2 Ta0.8 -","4","0.166667","","Ouyang, Z.W.; Liu, G.Y.; Rao, G.H.; Yang, H.F.; Liu, W.F.; Liang, J.K.; Feng, X.M.","Structure and unusual magnetic properties in the itinerant electron system Hf0.8 Ta0.2 (Fe1-x Cox)2","Journal of Alloys Compd.","2004","370","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","160205","2020-10-21","18:00:00",""
"1533917","6.95","","6.95","","6.95","","90","","90","","90","","335.702","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf0.8 Ta0.2) (Fe0.7 Co0.3)2","","- Co0.6 Fe1.4 Hf0.8 Ta0.2 -","- Co0.6 Fe1.4 Hf0.8 Ta0.2 -","- Co4.8 Fe11.2 Hf6.4 Ta1.6 -","8","0.0416667","","Ouyang, Z.W.; Feng, X.M.; Rao, G.H.; Liu, W.F.; Yang, H.F.; Liu, G.Y.; Liang, J.K.","Structure and unusual magnetic properties in the itinerant electron system Hf0.8 Ta0.2 (Fe1-x Cox)2","Journal of Alloys Compd.","2004","370","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533919","6.93","","6.93","","6.93","","90","","90","","90","","332.813","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf0.8 Ta0.2) (Fe0.5 Co0.5)2","","- Co Fe Hf0.8 Ta0.2 -","- Co Fe Hf0.8 Ta0.2 -","- Co8 Fe8 Hf6.4 Ta1.6 -","8","0.0416667","","Ouyang, Z.W.; Rao, G.H.; Liu, G.Y.; Liu, W.F.; Yang, H.F.; Feng, X.M.; Liang, J.K.","Structure and unusual magnetic properties in the itinerant electron system Hf0.8 Ta0.2 (Fe1-x Cox)2","Journal of Alloys Compd.","2004","370","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533921","6.9","","6.9","","6.9","","90","","90","","90","","328.509","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf0.8 Ta0.2) (Fe0.2 Co0.8)2","","- Co1.6 Fe0.4 Hf0.8 Ta0.2 -","- Co1.6 Fe0.4 Hf0.8 Ta0.2 -","- Co12.8 Fe3.2 Hf6.4 Ta1.6 -","8","0.0416667","","Ouyang, Z.W.; Rao, G.H.; Liu, G.Y.; Liu, W.F.; Yang, H.F.; Feng, X.M.; Liang, J.K.","Structure and unusual magnetic properties in the itinerant electron system Hf0.8 Ta0.2 (Fe1-x Cox)2","Journal of Alloys Compd.","2004","370","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533923","6.88","","6.88","","6.88","","90","","90","","90","","325.661","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf0.8 Ta0.2) Co2","","- Co2 Hf0.8 Ta0.2 -","- Co2 Hf0.8 Ta0.2 -","- Co16 Hf6.4 Ta1.6 -","8","0.0416667","","Ouyang, Z.W.; Rao, G.H.; Liang, J.K.; Liu, W.F.; Yang, H.F.; Liu, G.Y.; Feng, X.M.","Structure and unusual magnetic properties in the itinerant electron system Hf0.8 Ta0.2 (Fe1-x Cox)2","Journal of Alloys Compd.","2004","370","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533925","5.0099","","5.0099","","11.3228","","90","","90","","90","","284.192","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Na0.94 (Al0.96 D4.02)","","- Al0.96 D4.02 Na0.94 -","- Al0.9621 D4.024 Na0.9432 -","- Al3.8484 D16.096 Na3.7728 -","4","0.25","","Ozolins, V.; Majzoub, E.H.; Udovic, T.J.","Electronic structure and Rietveld refinement parameters of Ti-doped sodium alanates","Journal of Alloys Compd.","2004","375","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533927","5.4018","","5.5074","","7.7251","","90","","89.491","","90","","229.812","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na2.85 (Al D6.01)","","- Al D6.01 Na2.85 -","- Al D6.008 Na2.853 -","- Al2 D12.016 Na5.706 -","2","0.5","","Ozolins, V.; Majzoub, E.H.; Udovic, T.J.","Electronic structure and Rietveld refinement parameters of Ti-doped sodium alanates","Journal of Alloys Compd.","2004","375","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533929","4.83","","4.83","","10.56","","90","","90","","90","","246.353","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Na (Al H4)","","- Al H4 Na -","- Al H4 Na -","- Al4 H16 Na4 -","4","0.25","","Ozolins, V.; Udovic, T.J.; Majzoub, E.H.","Electronic structure and Rietveld refinement parameters of Ti-doped sodium alanates","Journal of Alloys Compd.","2004","375","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533931","5.21","","5.42","","7.5","","90","","89.86","","90","","211.786","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na3 (Al H6)","","- Al H6 Na3 -","- Al H6 Na3 -","- Al2 H12 Na6 -","2","0.5","","Ozolins, V.; Majzoub, E.H.; Udovic, T.J.","Electronic structure and Rietveld refinement parameters of Ti-doped sodium alanates","Journal of Alloys Compd.","2004","375","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533933","4.99","","4.99","","11.07","","90","","90","","90","","275.644","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Na (Al H4)","","- Al H4 Na -","- Al H4 Na -","- Al4 H16 Na4 -","4","0.25","","Ozolins, V.; Majzoub, E.H.; Udovic, T.J.","Electronic structure and Rietveld refinement parameters of Ti-doped sodium alanates","Journal of Alloys Compd.","2004","375","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533940","4.429","","4.429","","13.842","","90","","90","","90","","271.525","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Sr Si2","","- Si2 Sr -","- Si2 Sr -","- Si8 Sr4 -","4","0.125","","Palenzona, A.; Pani, M.","The phase diagram of the Sr - Si system","Journal of Alloys Compd.","2004","373","","214","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533941","4.403","","4.403","","13.916","","90","","90","","90","","269.781","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Sr Si1.693","","- Si1.693 Sr -","- Si1.694 Sr -","- Si6.776 Sr4 -","4","0.125","","Palenzona, A.; Pani, M.","The phase diagram of the Sr - Si system","Journal of Alloys Compd.","2004","373","","214","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533944","11.734","","11.734","","11.734","","90","","90","","90","","1615.62","","","","","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","Cs3 Li ((D0.85 H0.15) S O4)4","","- Cs3 D3.4 H0.6 Li O16 S4 -","- Cs3 D3.3996 H0.6 Li0.999 O16 S4 -","- Cs12 D13.5984 H2.4 Li3.996 O64 S16 -","4","0.0833333","","Klooster, W.T.; Piltz, R.O.; Haile, S.M.; Uda, T.","Structure refinement and chemical analysis of Cs3 Li (D S O4)4, formerly ""Cs1.5 Li1.5 D (S O4)2""","Journal of Solid State Chemistry","2004","177","","274","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533957","9.31","","10.465","","8.053","","90","","90","","90","","784.597","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Hf Rh Ge2","","- Ge2 Hf Rh -","- Ge2 Hf Rh -","- Ge24 Hf12 Rh12 -","12","1.5","","Kasahi, M.; Abe, S.; Samata, H.; Taniguchi, T.; Ozawa, T.; Nagata, Y.","Superconductivity of M Rh Ge2 (M = Zr, Hf)","Journal of Alloys Compd.","2004","368","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533983","4.17118","","4.17118","","14.3485","","90","","90","","90","","249.646","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Th (Al0.39 Si0.61)1.78","","- Al0.6942 Si1.0858 Th -","- Al0.7 Si1.08 Th -","- Al2.8 Si4.32 Th4 -","4","0.125","","Kavecansky, V.; Rogl, P.; Mihalik, M.; Noel, H.; Wochowski, K.; Troc, R.","X-ray investigation of alloys with composition Th37.5 M25 M'37.5; M= Al, Ga, M' = Si, Ge","Journal of Alloys Compd.","2004","365","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533984","4.1136","","4.1136","","13.993","","90","","90","","90","","236.785","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Th (Ga0.15 Si0.85)1.63","","- Ga0.2445 Si1.3855 Th -","- Ga0.24 Si1.38 Th -","- Ga0.96 Si5.52 Th4 -","4","0.125","","Kavecansky, V.; Troc, R.; Noel, H.; Mihalik, M.; Rogl, P.; Wochowski, K.","X-ray investigation of alloys with composition Th37.5 M25 M'37.5; M= Al, Ga, M' = Si, Ge","Journal of Alloys Compd.","2004","365","","173","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533987","8.154","","5.057","","10.185","","90","","90","","90","","419.976","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Cu5 (Cu0.16 Zn0.84)","","- Ce Cu5.16 Zn0.84 -","- Ce Cu5.16 Zn0.84 -","- Ce4 Cu20.64 Zn3.36 -","4","0.5","","Pavlyuk, V.V.; Marciniak, B.; Zelinska, O.Ya.; Rozycka-Sokolowska, E.; Solokha, P.G.","Solubility of zinc in Ce Cu6 intermetallic compound","Intermetallics","2004","12","","665","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533989","5.2069","","5.2069","","4.1352","","90","","90","","120","","97.092","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce (Cu3.5 Zn1.5)","","- Ce Cu3.5 Zn1.5 -","- Ce Cu3.501 Zn1.499 -","- Ce Cu3.501 Zn1.499 -","1","0.0416667","","Pavlyuk, V.; Marciniak, B.; Rozycka-Sokolowska, E.; Prochwicz, W.; Solokha, P.; Dzierzanowski, P.","Structural study of the pseudobinary (Ce Cu5) - (Ce Zn5) system","Journal of Alloys Compd.","2004","373","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533991","5.2223","","5.2223","","4.1616","","90","","90","","120","","98.291","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce (Cu2.6 Zn2.4)","","- Ce Cu2.6 Zn2.4 -","- Ce Cu2.6 Zn2.4 -","- Ce Cu2.6 Zn2.4 -","1","0.0416667","","Pavlyuk, V.; Rozycka-Sokolowska, E.; Solokha, P.; Marciniak, B.; Prochwicz, W.; Dzierzanowski, P.","Structural study of the pseudobinary (Ce Cu5) - (Ce Zn5) system","Journal of Alloys Compd.","2004","373","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533993","5.2262","","5.2262","","4.1719","","90","","90","","120","","98.682","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ce Cu2 Zn3 -","- Ce Cu2 Zn3 -","- Ce Cu2 Zn3 -","1","0.0416667","","Pavlyuk, V.; Rozycka-Sokolowska, E.; Marciniak, B.; Prochwicz, W.; Dzierzanowski, P.; Solokha, P.","Structural study of the pseudobinary (Ce Cu5) - (Ce Zn5) system","Journal of Alloys Compd.","2004","373","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533996","8.7734","","8.7734","","5.0629","","90","","90","","90","","389.704","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sc Mn4 Al8","","- Al8 Mn4 Sc -","- Al8 Mn4 Sc -","- Al16 Mn8 Sc2 -","2","0.0625","","Kotur, B.Ya.; Palasyuk, A.M.; Myakush, O.R.","Crystal structure and electrical resistivity of the Sc Mnx Al12-x (4.0 <= x <= 4.6) compound","Journal of Alloys Compd.","2004","367","","211","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533998","8.7429","","8.7429","","5.0467","","90","","90","","90","","385.761","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sc Mn4.6 Al7.4","","- Al7.4 Mn4.6 Sc -","- Al7.4 Mn4.6 Sc -","- Al14.8 Mn9.2 Sc2 -","2","0.0625","","Kotur, B.Ya.; Myakush, O.R.; Palasyuk, A.M.","Crystal structure and electrical resistivity of the Sc Mnx Al12-x (4.0 <= x <= 4.6) compound","Journal of Alloys Compd.","2004","367","","211","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534004","4.029","","16.286","","3.967","","90","","90","","90","","260.3","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tb Co Si2","","- Co Si2 Tb -","- Co Si2 Tb -","- Co4 Si8 Tb4 -","4","0.25","","Penc, B.; Szytula, A.; Wawrzynska, E.; Hernandez-Velasco, J.","Magnetic structures and magnetic phase transitions in Tb Co Si2","Journal of Alloys Compd.","2004","366","","120","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534005","4.378","","16.103","","4.312","","90","","90","","90","","303.991","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Er Co0.24 Sn2","","- Co0.24 Er Sn2 -","- Co0.24 Er Sn2 -","- Co0.96 Er4 Sn8 -","4","0.25","","Penc, B.; Gil, A.; Wawrzynska, E.; Szytula, A.; Zygmunt, A.; Hernandez-Velasco, J.","Magnetic structure of Er Tx Sn2 (T = Co, Ni) compounds","Journal of Alloys Compd.","2004","375","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534007","4.374","","16.121","","4.306","","90","","90","","90","","303.63","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Er Ni0.15 Sn2 -","- Er Ni0.15 Sn2 -","- Er4 Ni0.6 Sn8 -","4","0.25","","Penc, B.; Hernandez-Velasco, J.; Wawrzynska, E.; Gil, A.; Szytula, A.; Zygmunt, A.","Magnetic structure of Er Tx Sn2 (T = Co, Ni) compounds","Journal of Alloys Compd.","2004","375","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534009","6.638","","8.249","","8.836","","95.875","","100.68","","99.688","","464.195","","","","","","","","","","","","","3","P -1","-P 1","2","","Na3 (B7 O12)","","- B7 Na3 O12 -","- B7 Na3 O12 -","- B14 Na6 O24 -","2","1","","Penin, N.; Touboul, M.; Nowogrocki, G.","Crystal structure of two new sodium borates Na3 B7 O12 and Na2 Tl2 B10 O17","Journal of Alloys Compd.","2004","363","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","160314","2020-10-21","18:00:00",""
"1534010","13.6759","","22.196","","20.0398","","90","","90","","90","","6083.09","","","","","","","","","","","","","4","C m m a","-C 2a 2","67","","H5.33 (Al5.33 Si106.67 O224)","","- Al5.33 H5.33 O224 Si106.67 -","- Al5.328 O224 Si106.672 -","- Al5.328 O224 Si106.672 -","1","0.0625","","Peral, I.; Jones, C.Y.; Varkey, S.P.; Lobo, R.F.","Structural comparison of two EUO-type zeolites investigated by neutron diffraction","Microporous and Mesoporous Materials","2004","71","","125","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534012","13.6861","","22.1838","","20.0398","","90","","90","","90","","6084.28","","","","","","","","","","","","","4","C m m a","-C 2a 2","67","","H1.75 (Al1.75 Si110.25 O224)","","- Al1.75 H1.75 O224 Si110.25 -","- Al1.752 O224 Si110.248 -","- Al1.752 O224 Si110.248 -","1","0.0625","","Peral, I.; Lobo, R.F.; Jones, C.Y.; Varkey, S.P.","Structural comparison of two EUO-type zeolites investigated by neutron diffraction","Microporous and Mesoporous Materials","2004","71","","125","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534013","5.0108","","5.0108","","4.1093","","90","","90","","120","","89.354","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","U Ni2 (Ni0.9 Al2.1)","","- Al2.1 Ni2.9 U -","- Al2.1 Ni2.9 U -","- Al2.1 Ni2.9 U -","1","0.0416667","","Perricone, A.; Noel, H.","Formation of multiple phases with the (Ca Cu5)-type structure in the U - Ni - Al ternary system","Journal of Alloys Compd.","2004","367","","152","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534014","4.8032","","4.8032","","4.0417","","90","","90","","120","","80.753","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","U Ni2 (Ni2.55 Al0.45)","","- Al0.45 Ni4.55 U -","- Al0.45 Ni4.55 U -","- Al0.45 Ni4.55 U -","1","0.0416667","","Perricone, A.; Noel, H.","Formation of multiple phases with the (Ca Cu5)-type structure in the U - Ni - Al ternary system","Journal of Alloys Compd.","2004","367","","152","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534016","14.768","","7.723","","7.741","","90","","90","","90","","882.886","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Tm5 Sb2 Si2","","- Sb2 Si2 Tm5 -","- Sb2 Si2 Tm5 -","- Sb8 Si8 Tm20 -","4","","","Kozlov, A.Yu.; Davydov, V.M.; Pavlyuk, V.V.","The crystal structure of the new ternary compounds RE5 Sb2 X2 (RE - Y, Tb, Dy, Ho, Er, Tm; X - Si or Ge)","Intermetallics","2004","12","","151","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","160321","2020-10-21","18:00:00",""
"1534027","10.797","","10.429","","14.614","","90","","98.081","","90","","1629.22","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pb8 O5 (As O4)2","","- As2 O13 Pb8 -","- As2 O13 Pb8 -","- As8 O52 Pb32 -","4","0.5","","Krivovichev, S.V.; Armbruster, T.; Depmeier, W.","Crystal structures of Pb8 O5 (As O4)2 and Pb5 O4 (Cr O4) and review of (Pb O)-related structural units in inorganic compounds","Journal of Solid State Chemistry","2004","177","","1321","1332","","","","","","","","","","","","","","","","","","","","","","has coordinates","160332","2020-10-21","18:00:00",""
"1534029","14.792","","11.677","","11.582","","90","","90.979","","90","","2000.22","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb5 O4 (Cr O4)","","- Cr O8 Pb5 -","- Cr O8 Pb5 -","- Cr8 O64 Pb40 -","8","2","","Krivovichev, S.V.; Armbruster, T.; Depmeier, W.","Crystal structures of Pb8 O5 (As O4)2 and Pb5 O4 (Cr O4) and review of (Pb O)-related structural units in inorganic compounds","Journal of Solid State Chemistry","2004","177","","1321","1332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534030","5.3096","","7.5095","","5.3316","","90","","90","","90","","212.584","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca ((Sb0.1 Mn0.9) O3)","","- Ca Mn0.9 O3 Sb0.1 -","- Ca Mn0.9 O3 Sb0.1 -","- Ca4 Mn3.6 O12 Sb0.4 -","4","0.5","","Poltavets, V.; Jansen, M.; Vidyasagar, K.","Crystal structures and magnetic properties of Ca Sbx Mn1-x O3 perovskites","Journal of Solid State Chemistry","2004","177","","1285","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534031","9.9865","","9.9865","","7.3599","","90","","90","","120","","635.666","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Pb5 (Si O4) (V O4)2","","- O12 Pb5 Si V2 -","- O12 Pb5 Si0.999 V2.001 -","- O24 Pb10 Si1.998 V4.002 -","2","0.166667","","Krivovichev, S.V.; Depmeier, W.; Armbruster, T.","One-dimensional lone electron pair micelles in the crystal structure of Pb5 (Si O4) (V O4)2","Materials Research Bulletin","2004","39","","1717","1722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534032","5.4624","","7.6972","","5.559","","90","","90.09","","90","","233.729","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ca ((Sb0.5 Mn0.5) O3)","","- Ca Mn0.5 O3 Sb0.5 -","- Ca Mn0.5 O3 Sb0.5 -","- Ca4 Mn2 O12 Sb2 -","4","1","","Poltavets, V.; Vidyasagar, K.; Jansen, M.","Crystal structures and magnetic properties of Ca Sbx Mn1-x O3 perovskites","Journal of Solid State Chemistry","2004","177","","1285","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534034","5.352","","7.5199","","5.3978","","90","","91.054","","90","","217.206","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ca ((Sb0.2 Mn0.8) O3)","","- Ca Mn0.8 O3 Sb0.2 -","- Ca Mn0.8 O3 Sb0.2 -","- Ca4 Mn3.2 O12 Sb0.8 -","4","1","","Poltavets, V.; Vidyasagar, K.; Jansen, M.","Crystal structures and magnetic properties of Ca Sbx Mn1-x O3 perovskites","Journal of Solid State Chemistry","2004","177","","1285","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534036","5.3859","","7.5387","","5.4348","","90","","91.47","","90","","220.595","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ca ((Sb0.25 Mn0.75) O3)","","- Ca Mn0.75 O3 Sb0.25 -","- Ca Mn0.75 O3 Sb0.25 -","- Ca4 Mn3 O12 Sb -","4","1","","Poltavets, V.; Vidyasagar, K.; Jansen, M.","Crystal structures and magnetic properties of Ca Sbx Mn1-x O3 perovskites","Journal of Solid State Chemistry","2004","177","","1285","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534045","5.4654","","5.7292","","7.917","","90","","90","","90","","247.9","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tb (Sc O3)","","- O3 Sc Tb -","- O3 Sc Tb -","- O12 Sc4 Tb4 -","4","0.5","","Liferovich, R.P.; Mitchell, R.H.","A structural study of ternary lanthanide orthoscandate perovskites","Journal of Solid State Chemistry","2004","177","","2188","2197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534046","5.4494","","5.7263","","7.9132","","90","","90","","90","","246.931","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Dy (Sc O3)","","- Dy O3 Sc -","- Dy O3 Sc -","- Dy4 O12 Sc4 -","4","0.5","","Liferovich, R.P.; Mitchell, R.H.","A structural study of ternary lanthanide orthoscandate perovskites","Journal of Solid State Chemistry","2004","177","","2188","2197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534047","5.4295","","5.7148","","7.9011","","90","","90","","90","","245.159","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ho (Sc O3)","","- Ho O3 Sc -","- Ho O3 Sc -","- Ho4 O12 Sc4 -","4","0.5","","Liferovich, R.P.; Mitchell, R.H.","A structural study of ternary lanthanide orthoscandate perovskites","Journal of Solid State Chemistry","2004","177","","2188","2197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534051","11.52156","","11.52156","","38.5603","","90","","90","","90","","5118.74","","","","","","","","","","","","","3","I -4 m 2","I -4 -2","119","","","","- Bi94 Nb32 O221 -","- Bi94 Nb32 O221.024 -","- Bi94 Nb32 O221.024 -","1","0.0625","","Ling, C.D.; Johnson, M.","Modelling, refinement and analysis of the ""Type III"" delta-(Bi2 O3)-related superstructure in the (Bi2 O3) - (Nb2 O5) system","Journal of Solid State Chemistry","2004","177","","1838","1846","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534054","9.182","","11.5396","","5.5748","","90","","90","","90","","590.687","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Nd3 (Ga O4) O2","","- Ga Nd3 O6 -","- Ga Nd3 O6 -","- Ga4 Nd12 O24 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Song, G.B.; Liang, J.K.; Yang, L.T.; Luo, J.; Rao, G.H.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534055","9.0743","","11.407","","5.5181","","90","","90","","90","","571.182","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Sm3 (Ga O4) O2","","- Ga O6 Sm3 -","- Ga O6 Sm3 -","- Ga4 O24 Sm12 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Liang, J.K.; Rao, G.H.; Song, G.B.; Luo, J.; Yang, L.T.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534056","9.0284","","11.342","","5.4954","","90","","90","","90","","562.73","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Eu3 (Ga O4) O2","","- Eu3 Ga O6 -","- Eu3 Ga O6 -","- Eu12 Ga4 O24 -","4","0.5","","Liu, F.S.; Luo, J.; Liu, Q.L.; Song, G.B.; Yang, L.T.; Liang, J.K.; Rao, G.H.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534057","8.9911","","11.2801","","5.4796","","90","","90","","90","","555.744","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Gd3 (Ga O4) O2","","- Ga Gd3 O6 -","- Ga Gd3 O6 -","- Ga4 Gd12 O24 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Liang, J.K.; Yang, L.T.; Song, G.B.; Luo, J.; Rao, G.H.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534058","8.9344","","11.2153","","5.4447","","90","","90","","90","","545.57","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Tb3 (Ga O4) O2","","- Ga O6 Tb3 -","- Ga O6 Tb3 -","- Ga4 O24 Tb12 -","4","0.5","","Liu, F.S.; Liang, J.K.; Liu, Q.L.; Yang, L.T.; Rao, G.H.; Song, G.B.; Luo, J.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534059","8.8875","","11.1512","","5.4217","","90","","90","","90","","537.325","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Dy3 (Ga O4) O2","","- Dy3 Ga O6 -","- Dy3 Ga O6 -","- Dy12 Ga4 O24 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Liang, J.K.; Rao, G.H.; Yang, L.T.; Song, G.B.; Luo, J.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534060","8.8451","","11.0931","","5.4027","","90","","90","","90","","530.111","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Ho3 (Ga O4) O2","","- Ga Ho3 O6 -","- Ga Ho3 O6 -","- Ga4 Ho12 O24 -","4","0.5","","Liu, F.S.; Luo, J.; Liu, Q.L.; Liang, J.K.; Yang, L.T.; Rao, G.H.; Song, G.B.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534061","8.8009","","11.0345","","5.3802","","90","","90","","90","","522.49","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Er3 (Ga O4) O2","","- Er3 Ga O6 -","- Er3 Ga O6 -","- Er12 Ga4 O24 -","4","0.5","","Liu, F.S.; Liu, Q.L.; Yang, L.T.; Liang, J.K.; Song, G.B.; Luo, J.; Rao, G.H.","A systematic study on crystal structure and magnetic properties of Ln3 Ga O6 (Ln = Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)","Journal of Solid State Chemistry","2004","177","","1796","1802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534063","6.4715","","7.1082","","6.7796","","90","","98.353","","90","","308.558","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sm (Cu S2)","","- Cu S2 Sm -","- Cu S2 Sm -","- Cu4 S8 Sm4 -","4","1","","Llanos, J.; Mujica, C.; Sanchez, V.; Schnelle, W.; Cardoso-Gil, R.","Sm Cu S2: crystal structure refinement, electrical, optical and magnetic properties","Journal of Solid State Chemistry","2004","177","","1388","1392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534068","6.938","","6.963","","7.047","","118.06","","118.21","","90.17","","253.379","","","","","","","","","","","","","5","P -1","-P 1","2","","K2 Cu (Fe (C N)6)","","- C6 Cu Fe K2 N6 -","- C6 Cu Fe K2 N6 -","- C6 Cu Fe K2 N6 -","1","0.5","","Loos-Neskovic, C.; Ayrault, S.; Badillo, V.; Jimenez, B.; Merinov, B.; Garnier, E.; Jones, D.J.; Fedoroff, M.","Structure of copper-potassium hexacyanoferrate(II) and sorption mechanisms of cesium","Journal of Solid State Chemistry","2004","177","","1817","1828","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534072","5.6119","","5.6119","","7.927","","90","","90","","90","","249.648","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Sr2 (Mn Nb O6)","","- Mn Nb O6 Sr2 -","- Mn Nb O6 Sr2 -","- Mn2 Nb2 O12 Sr4 -","2","0.0625","","Lufaso, M.W.; Woodward, P.M.; Goldberger, J.","Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb, Nb, Ru) perovskites","Journal of Solid State Chemistry","2004","177","","1651","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534073","7.7849","","7.7849","","7.7849","","90","","90","","90","","471.801","","","","","","","","","","","","","5","P -4 3 m","P -4 2 3","215","","(K0.67 Cs0.33)3 (Si3 Ti4 O15 (O H)) (H2 O)5.18","","- Cs1.002 K2.01 O20 Si3 Ti4 -","- Cs1.002 K2.01 O20 Si3 Ti4 -","- Cs1.002 K2.01 O20 Si3 Ti4 -","1","0.0416667","","Xu Hongwu; Nyman, M.; Navrotsky, A.; Nenoff, T.M.","Crystal chemistry and energetics of pharmacosiderite-related microporous phases in the (K2 O) - (Cs2 O) - (Si O2) - (Ti O2) - (H2 O) system","Microporous and Mesoporous Materials","2004","772","","209","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","160393","2020-10-21","18:00:00",""
"1534074","5.45459","","5.45459","","7.934","","90","","90","","90","","236.057","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Sr2 (Mn Ru O6)","","- Mn O6 Ru Sr2 -","- Mn O6 Ru Sr2 -","- Mn2 O12 Ru2 Sr4 -","2","0.0625","","Lufaso, M.W.; Goldberger, J.; Woodward, P.M.","Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb, Nb, Ru) perovskites","Journal of Solid State Chemistry","2004","177","","1651","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534075","7.8009","","7.8009","","7.8009","","90","","90","","90","","474.716","","","","","","","","","","","","","5","P -4 3 m","P -4 2 3","215","","(K0.5 Cs0.5)3 (Si3 Ti4 O15 (O H)) (H2 O)4.87","","- Cs1.5 K1.5 O20 Si3 Ti4 -","- Cs1.5 K1.5 O20 Si3 Ti4 -","- Cs1.5 K1.5 O20 Si3 Ti4 -","1","0.0416667","","Xu Hongwu; Navrotsky, A.; Nyman, M.; Nenoff, T.M.","Crystal chemistry and energetics of pharmacosiderite-related microporous phases in the (K2 O) - (Cs2 O) - (Si O2) - (Ti O2) - (H2 O) system","Microporous and Mesoporous Materials","2004","772","","209","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","160395","2020-10-21","18:00:00",""
"1534076","5.5553","","5.5553","","8.0548","","90","","90","","90","","248.582","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Sr2 (Mn Sb O6)","","- Mn O6 Sb Sr2 -","- Mn O6 Sb Sr2 -","- Mn2 O12 Sb2 Sr4 -","2","0.0625","","Lufaso, M.W.; Woodward, P.M.; Goldberger, J.","Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb, Nb, Ru) perovskites","Journal of Solid State Chemistry","2004","177","","1651","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534077","7.8078","","7.8078","","7.8078","","90","","90","","90","","475.977","","","","","","","","","","","","","5","P -4 3 m","P -4 2 3","215","","(K0.33 Cs0.67)3 (Si3 Ti4 O15 (O H)) (H2 O)4.95","","- Cs1.998 K0.99 O20 Si3 Ti4 -","- Cs1.998 K0.99 O20 Si3 Ti4 -","- Cs1.998 K0.99 O20 Si3 Ti4 -","1","0.0416667","","Xu Hongwu; Navrotsky, A.; Nenoff, T.M.; Nyman, M.","Crystal chemistry and energetics of pharmacosiderite-related microporous phases in the (K2 O) - (Cs2 O) - (Si O2) - (Ti O2) - (H2 O) system","Microporous and Mesoporous Materials","2004","772","","209","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","160397","2020-10-21","18:00:00",""
"1534078","5.5635","","7.6996","","5.453","","90","","90","","90","","233.589","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (Mn Nb O6)","","- Ca2 Mn Nb O6 -","- Ca2 Mn Nb O6 -","- Ca4 Mn2 Nb2 O12 -","2","0.25","","Lufaso, M.W.; Woodward, P.M.; Goldberger, J.","Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb, Nb, Ru) perovskites","Journal of Solid State Chemistry","2004","177","","1651","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534079","7.8264","","7.8264","","7.8264","","90","","90","","90","","479.387","","","","","","","","","","","","","6","P -4 3 m","P -4 2 3","215","","(K0.02 Cs0.98)3 (Si3 Ti4 O15 (O H)) (H2 O)4.57","","- Cs2.94 H10.14 K0.06 O20.57 Si3 Ti4 -","- Cs2.94 K0.06 O20 Si3 Ti4 -","- Cs2.94 K0.06 O20 Si3 Ti4 -","1","0.0416667","","Xu Hongwu; Navrotsky, A.; Nyman, M.; Nenoff, T.M.","Crystal chemistry and energetics of pharmacosiderite-related microporous phases in the (K2 O) - (Cs2 O) - (Si O2) - (Ti O2) - (H2 O) system","Microporous and Mesoporous Materials","2004","772","","209","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534080","5.4207","","7.5757","","5.3346","","90","","90","","90","","219.069","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (Mn Ru O6)","","- Ca2 Mn O6 Ru -","- Ca2 Mn O6 Ru -","- Ca4 Mn2 O12 Ru2 -","2","0.25","","Lufaso, M.W.; Woodward, P.M.; Goldberger, J.","Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb, Nb, Ru) perovskites","Journal of Solid State Chemistry","2004","177","","1651","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534082","5.5549","","7.6941","","5.4591","","90","","90","","90","","233.322","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (Mn Sb O6)","","- Ca2 Mn O6 Sb -","- Ca2 Mn O6 Sb -","- Ca4 Mn2 O12 Sb2 -","2","0.25","","Lufaso, M.W.; Woodward, P.M.; Goldberger, J.","Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb, Nb, Ru) perovskites","Journal of Solid State Chemistry","2004","177","","1651","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534086","4.9141","","4.9141","","4.0409","","90","","90","","120","","84.508","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Sm0.79 Co5.17 Zr0.23","","- Co5.17 Sm0.79 Zr0.23 -","- Co5.173 Sm0.795 Zr0.234 -","- Co5.173 Sm0.795 Zr0.234 -","1","0.0416667","","Luo, J.; Liang, J.K.; Guo, Y.Q.; Liu, Q.L.; Liu, F.S.; Yang, L.T.; Rao, G.H.","Crystal structure of Sm Co6.7 Zr0.3 and Nd Co4 Cu3 compounds with (Tb Cu7)-type structure","Journal of Alloys Compd.","2004","372","","187","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","160406","2020-10-21","18:00:00",""
"1534141","14.412","","10.891","","17.482","","90","","90.1","","90","","2743.99","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ba (U O2) (C2 O4)2 (H2 O)5","","- C4 H10 Ba O15 U -","- C4 H10 Ba O15 U -","- C32 H80 Ba8 O120 U8 -","8","1","","Akhmerkina, Zh.V.; Gorbunova, Yu.E.; Mikhailov, Yu.N.; Serezhkina, L.B.; Serezhkin, V.N.","Crystal structure of Ba (U O2 (C2 O4)2 (H2O)) 4(H2 O)","Zhurnal Neorganicheskoi Khimii","2004","49","","1692","1695","","","","","","","","","","","","","","","","","","","","","","has coordinates","189246","2020-10-21","18:00:00",""
"1534146","6.4992","","8.3803","","10.4235","","90","","104.749","","90","","549.012","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ba (V U O6)2","","- Ba O12 U2 V2 -","- Ba O12 U2 V2 -","- Ba2 O24 U4 V4 -","2","0.5","","Alekseev, E.V.; Suleimanov, E.V.; Fukin, G.K.; Chuprunov, E.V.","The crystal structure of Ba (V U O6)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","544","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534163","13.11","","13.11","","3.8625","","90","","90","","120","","574.916","","","","","","","","","","","","","4","P 6/m","-P 6","175","","K6 Ta6.27 O15 F7.4","","- F7.4 K6 O15 Ta6.27 -","- F7.356 K6 O15 Ta6.271 -","- F7.356 K6 O15 Ta6.271 -","1","0.0833333","","Arakcheeva, A.V.; Chapuis, G.; Grinevich, V.V.; Shamrai, V.F.","Structure type of hexagonal tantalum bronzes with variable composition K6 Ta6+z O15 F6 (F,O)y: Ta-bronzes and Ta-compounds","Kristallografiya","2004","49","","75","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","160667","2020-10-21","18:00:00",""
"1534164","13.123","","13.123","","3.8622","","90","","90","","120","","576.012","","","","","","","","","","","","","4","P 6/m","-P 6","175","","K6 Ta7.05 O15 F7.1","","- F7.1 K6 O15 Ta7.05 -","- F7.104 K6 O15 Ta7.047 -","- F7.104 K6 O15 Ta7.047 -","1","0.0833333","","Arakcheeva, A.V.; Chapuis, G.; Grinevich, V.V.; Shamrai, V.F.","Structure type of hexagonal tantalum bronzes with variable composition K6 Ta6+z O15 F6 (F,O)y: Ta-bronzes and Ta-compounds","Kristallografiya","2004","49","","75","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","160668","2020-10-21","18:00:00",""
"1534165","13.132","","13.132","","3.861","","90","","90","","120","","576.623","","","","","","","","","","","","","4","P 6/m","-P 6","175","","K6 Ta6.88 O15 F8.2","","- F8.2 K6 O15 Ta6.88 -","- F8.184 K6 O15 Ta6.876 -","- F8.184 K6 O15 Ta6.876 -","1","0.0833333","","Arakcheeva, A.V.; Chapuis, G.; Grinevich, V.V.; Shamrai, V.F.","Structure type of hexagonal tantalum bronzes with variable composition K6 Ta6+z O15 F6 (F,O)y: Ta-bronzes and Ta-compounds","Kristallografiya","2004","49","","75","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","160669","2020-10-21","18:00:00",""
"1534169","5.743","","9.544","","11.845","","89.49","","84.95","","83.01","","641.911","","","","","","","","","","","","","6","P -1","-P 1","2","","K2 (U O2) (C2 O4) (S O4) (H2 O)3","","- C2 H6 K2 O13 S U -","- C2 H6 K2 O13 S U -","- C4 H12 K4 O26 S2 U2 -","2","1","","Artem'eva, M.Yu.; Vologzhanina, A.V.; Dolgushin, F.M.; Antipin, M.Yu.; Serezhkina, L.B.; Serezhkin, V.N.","Crystal structure of K2 (U O2 (C2 O4) (S O4)) 3(H2 O)","Zhurnal Neorganicheskoi Khimii","2004","49","","2068","2073","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534196","9.416","","9.416","","9.237","","90","","90","","90","","818.962","","","","","","","","","","","","","3","P 4 n c","P 4 -2n","104","","Tl4 (Hg I6)","","- Hg I6 Tl4 -","- Hg I6 Tl4 -","- Hg2 I12 Tl8 -","2","0.25","","Badikov, D.V.; Badikov, V.V.; Kuz'micheva, G.M.; Panyutin, V.L.; Shevyrdyaeva, G.S.; Rybakov, V.B.; Chizhikov, V.I.; Shcherbakova, E.S.","Growth and X-ray diffraction study of Tl4 Hg I6 crystals","Neorganicheskie Materialy","2004","40","","372","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534215","15.941","","11.877","","6.625","","90","","95.09","","90","","1249.37","","","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","(Mn1.14 Fe2.35 Zn0.72 Al0.28 Mg0.19) Ca2 Be4 (P O4)6 (O H)4 (H2 O)6","","- Al0.28 Be4 Ca2 Fe2.35 H16 Mg0.19 Mn1.14 O34 P6 Zn0.72 -","- Al0.28 Be4 Ca2 Fe2.36 H8 Mg0.2 Mn1.12 O34 P6 Zn0.72 -","- Al0.56 Be8 Ca4 Fe4.72 H16 Mg0.4 Mn2.24 O68 P12 Zn1.44 -","2","0.25","","Barinova, A.V.; Rastsvetaeva, R.K.; Chukanov, N.V.; Pietraszko, A.","Refinement of the crystal structure of Zn-containing greifensteinite","Kristallografiya","2004","49","","1037","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534242","7.8668","","10.9703","","16.048","","90","","102.469","","90","","1352.29","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Cr (N H3)5 Cl) (Pd Cl4) (H2 O)","","- Cl5 Cr H17 N5 O Pd -","- Cl5 Cr H17 N5 O Pd -","- Cl20 Cr4 H68 N20 O4 Pd4 -","4","1","","Baydina, I.A.; Gromilov, S.A.; Korenev, S.V.; Iusenko, K.V.; Plyusnin, P.P.; Shubin, Yu.V.","Synthesis and crystal structure of (Cr (N H3)5 Cl) (Pd Cl4) (H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","549","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1534249","8.385","","8.385","","20.71","","90","","90","","120","","1261.01","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ho (B6 O9 (O H)3)","","- B6 H3 Ho O12 -","- B6 Ho O12 -","- B36 Ho6 O72 -","6","0.333333","","Belokoneva, E.L.; Ivanova, A.G.; Stefanovich, S.Yu.; Dimitrova, O.V.; Kurazhkovskaya, V.S.","New Ln (B6 O9 (O H)3) (Ln= Sm- Lu) borates: structure properties, and structural relation to cationic Li4 (B7 O12) Cl conductors (Li-boracites)","Kristallografiya","2004","49","","681","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534250","8.41","","8.41","","20.72","","90","","90","","120","","1269.15","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Gd (B6 O9 (O H)3)","","- B6 Gd H3 O12 -","- B6 Gd O12 -","- B36 Gd6 O72 -","6","0.333333","","Belokoneva, E.L.; Stefanovich, S.Yu.; Ivanova, A.G.; Dimitrova, O.V.; Kurazhkovskaya, V.S.","New Ln (B6 O9 (O H)3) (Ln= Sm- Lu) borates: structure properties, and structural relation to cationic Li4 (B7 O12) Cl conductors (Li-boracites)","Kristallografiya","2004","49","","681","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534263","8.405","","8.405","","5.0112","","90","","90","","120","","306.583","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Pb3 Ga2 Ge4 O14","","- Ga2 Ge4 O14 Pb3 -","- Ga2 Ge4 O14 Pb3 -","- Ga2 Ge4 O14 Pb3 -","1","0.166667","","Bezmaternykh, L.N.; Vasil'ev, A.D.; Temerov, V.L.; Gudim, I.A.","The growth and structure of Pb3 Ga2 Ge4 O14 and Ba3 Ga2 Ge4 O14 single crystals","Kristallografiya","2004","49","","325","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","160809","2020-10-21","18:00:00",""
"1534264","8.367","","8.367","","5.4397","","90","","90","","120","","329.796","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ba3 Ga2 Ge4 O14 -","- Ba3 Ga2 Ge4 O14 -","- Ba3 Ga2 Ge4 O14 -","1","0.166667","","Bezmaternykh, L.N.; Vasil'ev, A.D.; Gudim, I.A.; Temerov, V.L.","The growth and structure of Pb3 Ga2 Ge4 O14 and Ba3 Ga2 Ge4 O14 single crystals","Kristallografiya","2004","49","","325","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534356","9.263","","10.267","","11.332","","102.04","","106.3","","113.77","","880.863","","","","","","","","","","","","","5","P -1","-P 1","2","","Eu2 (Te Mo6 O24) (H2 O)18","","- Eu2 H36 Mo6 O42 Te -","- Eu2 H36 Mo6 O42 Te -","- Eu2 H36 Mo6 O42 Te -","1","0.5","","Charushnikova, I.A.; Fedoseev, A.M.; Yusov, A.B.; Polyakova, I.N.","f-element complexes with tellurometallate anions: I. The crystal structure of Eu2 Te Mo6 O24 18(H2 O)","Zhurnal Neorganicheskoi Khimii","2004","49","","1481","1487","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534358","6.79","","9.4953","","8.4445","","90","","99.844","","90","","536.427","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Mg (H2 O)6) (Si F6)","","- F6 H12 Mg O6 Si -","- F6 H12 Mg O6 Si -","- F12 H24 Mg2 O12 Si2 -","2","0.5","","Cherkasova, T.G.; Tatarinova, E.S.; Cherkasova, E.V.","Crystal structure of hexaaquamagnesium hexafluorosilicate","Zhurnal Neorganicheskoi Khimii","2004","49","","1161","1164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534459","5.5903","","5.9241","","7.999","","90","","90.495","","90","","264.897","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La2 Na Ru O6","","- La2 Na O6 Ru -","- La2 Na O6 Ru -","- La4 Na2 O12 Ru2 -","2","0.5","","Gemmill, W.R.; Smith, M.D.; zur Loye, H.C.","Synthesis and magnetic properties of the double perovskites Ln2 Na Ru O6 (Ln = La, Pr, Nd)","Journal of Solid State Chemistry","2004","177","","3560","3567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534462","5.4944","","5.9009","","7.8917","","90","","90.883","","90","","255.834","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nd2 Na Ru O6","","- Na Nd2 O6 Ru -","- Na Nd2 O6 Ru -","- Na2 Nd4 O12 Ru2 -","2","0.5","","Gemmill, W.R.; Smith, M.D.; zur Loye, H.C.","Synthesis and magnetic properties of the double perovskites Ln2 Na Ru O6 (Ln = La, Pr, Nd)","Journal of Solid State Chemistry","2004","177","","3560","3567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534464","5.5173","","5.9119","","7.9039","","90","","90.786","","90","","257.783","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pr2 Na Ru O6","","- Na O6 Pr2 Ru -","- Na O6 Pr2 Ru -","- Na2 O12 Pr4 Ru2 -","2","0.5","","Gemmill, W.R.; Smith, M.D.; zur Loye, H.C.","Synthesis and magnetic properties of the double perovskites Ln2 Na Ru O6 (Ln = La, Pr, Nd)","Journal of Solid State Chemistry","2004","177","","3560","3567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534465","10.3878","","10.3878","","37.8386","","90","","90","","120","","3536","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ca9 Fe (P O4)7","","- Ca9 Fe O28 P7 -","- Ca9 Fe O28.002 P7 -","- Ca54 Fe6 O168.012 P42 -","6","0.166667","","Lazoryak, B.I.; Morozov, V.A.; Belik, A.A.; Mitberg, E.B.; Lebedev, O.I.; Stefanovich, S.Yu.; Grebenev, V.V.; Leonidov, I.A.; Davydov, S.A.; van Tendeloo, G.","Ferroelectric phase transition in the whitlockite-type Ca9 Fe (P O4)7: crystal structure of the paraelectric phase at 923 K","Solid State Sciences","2004","6","","185","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534493","9.4236","","9.4236","","18.8955","","90","","90","","120","","1453.19","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- In2.9 Mo15 S19 -","- In2.9045 Mo15 S19 -","- In5.809 Mo30 S38 -","2","0.166667","","Salloum, D.; Gautier, R.; Gougeon, P.; Potel, M.","Syntheses and structural trends of the In(x) Mo15 S19 (0 <= x <= 3.7) compounds containing Mo6 and Mo9 clusters","Journal of Solid State Chemistry","2004","177","","1672","1680","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534496","9.338","","9.338","","18.952","","90","","90","","120","","1431.18","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- In1.151 Mo15 S19 -","- In1.1506 Mo15 S19 -","- In2.3012 Mo30 S38 -","2","0.166667","","Salloum, D.; Gautier, R.; Gougeon, P.; Potel, M.","Syntheses and structural trends of the In(x) Mo15 S19 (0 <= x <= 3.7) compounds containing Mo6 and Mo9 clusters","Journal of Solid State Chemistry","2004","177","","1672","1680","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534497","4.1026","","4.1026","","5.1755","","90","","90","","120","","75.44","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni1.523 Sn -","- Ni1.523 Sn1.0002 -","- Ni3.046 Sn2.0004 -","2","0.0833333","","Leineweber, A.; Oeckler, O.; Zachwieja, U.","Static atomic displacements of Sn in disordered Ni As/Ni2 In type HT-Ni(1+delta) Sn","Journal of Solid State Chemistry","2004","177","","936","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534500","9.2947","","9.2947","","18.9884","","90","","90","","120","","1420.66","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- In0.708 Mo15 S19 -","- In0.708 Mo15 S19 -","- In1.416 Mo30 S38 -","2","0.166667","","Salloum, D.; Gautier, R.; Gougeon, P.; Potel, M.","Syntheses and structural trends of the In(x) Mo15 S19 (0<= x<= 3.7) compounds containing Mo6 and Mo9 clusters","Journal of Solid State Chemistry","2004","177","","1672","1680","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534504","9.2551","","9.2551","","19.0135","","90","","90","","120","","1410.44","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- In0.482 Mo15 S19 -","- In0.4821 Mo15 S19 -","- In0.9642 Mo30 S38 -","2","0.166667","","Salloum, D.; Gautier, R.; Gougeon, P.; Potel, M.","Syntheses and structural trends of the In(x) Mo15 S19 (0 <= x <= 3.7) compounds containing Mo6 and Mo9 clusters","Journal of Solid State Chemistry","2004","177","","1672","1680","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534507","9.1999","","9.1999","","19.0596","","90","","90","","120","","1397.05","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- In0.102 Mo15 S19 -","- In0.102 Mo15 S19 -","- In0.204 Mo30 S38 -","2","0.166667","","Salloum, D.; Gautier, R.; Gougeon, P.; Potel, M.","Syntheses and structural trends of the In(x) Mo15 S19 (0 <= x <= 3.7) compounds containing Mo6 and Mo9 clusters","Journal of Solid State Chemistry","2004","177","","1672","1680","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534511","9.1838","","9.1838","","19.0483","","90","","90","","120","","1391.33","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- Mo15 S19 -","- Mo15 S19 -","- Mo30 S38 -","2","0.166667","","Salloum, D.; Gautier, R.; Gougeon, P.; Potel, M.","Syntheses and structural trends of the In(x) Mo15 S19 (0 <= x <= 3.7) compounds containing Mo6 and Mo9 clusters","Journal of Solid State Chemistry","2004","177","","1672","1680","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534514","13.3782","","10.326","","9.0204","","90","","111.366","","90","","1160.46","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Rb0.23 (N H4)2.77 (Ga2 (P O4)3)","","- Ga2 H11.08 N2.77 O12 P3 Rb0.23 -","- Ga2 H8 N2.7739 O12 P3 Rb0.2261 -","- Ga8 H32 N11.0956 O48 P12 Rb0.9044 -","4","0.5","","Lesage, J.; Guesdon, A.; Raveau, B.; Petricek, V.","The anionic 3D-framework (Ga2 (P O4)3)inf : a microporous host lattice for various species","Journal of Solid State Chemistry","2004","177","","3581","3589","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534517","13.392","","10.3579","","9.0436","","90","","111.412","","90","","1167.88","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Cs0.54 (N H4)2.46 (Ga2 (P O4)3)","","- Cs0.54 Ga2 H9.84 N2.46 O12 P3 -","- Cs0.5382 Ga2 H8 N2.4618 O12 P3 -","- Cs2.1528 Ga8 H32 N9.8472 O48 P12 -","4","0.5","","Lesage, J.; Guesdon, A.; Petricek, V; Raveau, B.","The anionic 3D-framework [Ga2 (P O4)3] : a microporous host lattice for various species","Journal of Solid State Chemistry","2004","177","","3581","3589","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534518","14.6765","","8.6049","","13.9572","","90","","120.204","","90","","1523.35","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(N (C H3)4)2 (I O2 F2) (H F2)","","- C8 H25 F4 I N2 O2 -","- C8 H25 F4 I N2 O2 -","- C32 H100 F16 I4 N8 O8 -","4","0.5","","Gerken, M.; Mack, J.P.; Schrobilgen, G.J.D.; Suontamo, R.J.","Synthesis, vibrational and NMR spectroscopic characterization of [N (C H3)4] [I O2 F2] and x-ray crystal structure of [N (C H3)4]2 [I O2 F2] [H F2]","Journal of Fluorine Chemistry","2004","125","","1663","1670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534527","7.462","","9.241","","10.103","","90","","110.731","","90","","651.559","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Cs (Ga2 P5 O16)","","- Cs Ga2 O16 P5 -","- Cs Ga2 O16 P5 -","- Cs2 Ga4 O32 P10 -","2","1","","Lesage, J.; Raveau, B.; Guesdon, A.","New gallium pentaphosphates : AGa2P5O16 (A = Rb, Cs)","Solid State Sciences","2004","6","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534528","7.3552","","14.776","","8.638","","90","","101.36","","90","","920.39","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Nd Ce I4","","- Ce I4 Nd -","- Ce I4 Nd -","- Ce4 I16 Nd4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534531","7.4058","","9.2151","","10.0912","","90","","110.768","","90","","643.928","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Rb (Ga2 P5 O16)","","- Ga2 O16 P5 Rb -","- Ga2 O16 P5 Rb -","- Ga4 O32 P10 Rb2 -","2","1","","Lesage, J.; Guesdon, A.; Raveau, B.","New gallium pentaphosphates: A Ga2 P5 O16 (A = Rb, Cs)","Solid State Sciences","2004","6","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534532","7.4031","","14.804","","8.6583","","90","","101.5","","90","","929.861","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Nd La I4","","- I4 La Nd -","- I4 La Nd -","- I16 La4 Nd4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534533","16.005","","7.0172","","14.8007","","90","","90","","90","","1662.27","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na11 (Cu O4) (S O4)3","","- Cu Na11 O16 S3 -","- Cu Na11 O16 S3 -","- Cu4 Na44 O64 S12 -","4","0.5","","Amann, P.; Kataev, V.; Moeller, A.","Synthesis and characterization of Na11 (Cu O4) (S O4)3","Journal of Solid State Chemistry","2004","177","","2889","2895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534535","7.3625","","14.728","","8.5606","","90","","101.126","","90","","910.821","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Sm Ce I4","","- Ce I4 Sm -","- Ce I4 Sm -","- Ce4 I16 Sm4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534537","7.4226","","14.786","","8.5969","","90","","101.012","","90","","926.142","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Sm La I4","","- I4 La Sm -","- I4 La Sm -","- I16 La4 Sm4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534541","7.3581","","14.783","","8.602","","90","","101.25","","90","","917.702","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Sr Ce I4","","- Ce I4 Sr -","- Ce I4 Sr -","- Ce4 I16 Sr4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534545","7.352","","14.98","","8.936","","90","","102.381","","90","","961.26","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Ba Ce I4 -","- Ba Ce I4 -","- Ba4 Ce4 I16 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534549","7.394","","14.791","","8.548","","90","","101.15","","90","","917.203","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Eu La I4","","- Eu I4 La -","- Eu I4 La -","- Eu4 I16 La4 -","4","0.5","","Gerlitzki, N.; Meyer, G.; Hammerich, S.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534552","5.9031","","13.5404","","9.7932","","90","","126.438","","90","","629.742","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(((Zn (O H) (H2 O)3))2 (Cl O4)2)","","- Cl2 H14 O16 Zn2 -","- Cl2 H14 O16 Zn2 -","- Cl4 H28 O32 Zn4 -","2","0.5","","Li, Y.-H.; Ye, Q.; Tang, Y.-Z.; Xiong, R.-G.","Crystal structure of the bis(zinc(II)-hydroxide-(mue-perchlorate)-triaqua) complex","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1553","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534581","28.596","","31.788","","38.347","","90","","90","","90","","34857.8","","","","","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","K7 Na9 (Pt O (H2 O) (P W9 O34)2) (H2 O)21.5","","- H45 K7 Na9 O91.5 P2 Pt W18 -","- K7 Na9 O91.5 P2 Pt W18 -","- K112 Na144 O1464 P32 Pt16 W288 -","16","0.5","","Anderson, T.M.; Neiwert, W.A.; Kirk, M.L.; Rui Cao,; Piccoli, P.M.B.; Schultz, A.J.; Koetzle, F.; Hill, C.L.; Keiji Morokuma,; Musaev, D.G.","A Late-Transition Metal Oxo Complex: K7 Na9 [O=PtIV (H2 O)L2], L = [P W9 O34]9-","Science","2004","306","","2074","2077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534582","20.323","","15.269","","16.014","","90","","94.06","","90","","4956.86","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","Na2 K2 H2 ((In (H2 O)3)2 (In (H2 O)2)2 (As W9 O33)2) (H2 O)37","","- As2 H96 In4 K2 Na2 O113 W18 -","- As2 In4 K2 Na2 O113 W18 -","- As4 In8 K4 Na4 O226 W36 -","2","0.25","","Limanski, E.M.; Drewes, D.; Krebs, B.","Sandwichartige Polyoxowolframate mit Indium(III) als Heteroatom - Synthese und Charakterisierung der ersten Vertreter einer neuen Familie von Anionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","523","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534583","28.637","","31.735","","38.228","","90","","90","","90","","34741.4","","","","","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","H5.6 K7.6 Na1.4 ((Pd (H2 O)2)0.3 (W O (H2 O))0.7 (P W9 O34)2) (H2 O)20.5","","- H49.2 K7.6 Na1.4 O90.5 P2 Pd0.3 W18.7 -","- K7.6 Na1.4 O90.5 P2 Pd0.3 W18.7 -","- K121.6 Na22.4 O1448 P32 Pd4.8 W299.2 -","16","0.5","","Anderson, T.M.; Musaev, D.G.; Kirk, M.L.; Neiwert, W.A.; Schultz, A.J.; Piccoli, P.M.B.; Koetzle, F.","A Late-Transition Metal Oxo Complex: K7 Na9 [O=PtIV (H2 O)L2], L = [P W9 O34]9-","Science","2004","306","","2074","2077","","","","","","","","","","","","","","","","","","","","","","has coordinates","161423","2020-10-21","18:00:00",""
"1534584","13.047","","17.735","","21.054","","90","","93.38","","90","","4863.18","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na10 H2 (In4 (H2 O)2 (Co W9 O34)2) (H2 O)43","","- Co2 H92 In4 Na10 O113 W18 -","- Co2 In4 Na10 O113 W18 -","- Co4 In8 Na20 O226 W36 -","2","0.5","","Limanski, E.M.; Drewes, D.; Krebs, B.","Sandwichartige Polyoxowolframate mit Indium(III) als Heteroatom - Synthese und Charakterisierung der ersten Vertreter einer neuen Familie von Anionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","523","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534585","28.494","","31.687","","37.988","","90","","90","","90","","34299","","","","","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","K7 Na9 (Pt0.5 (O) (H2 O) (P W9 O34)2) (H2 O)21.5","","- H45 K7 Na9 O91.5 P2 Pt0.5 W18 -","- H7.78028 K7 Na9 O89.79 P2 Pt0.5 W18 -","- H124.484 K112 Na144 O1436.64 P32 Pt8 W288 -","16","0.5","","Anderson, T.M.; Neiwert, W.A.; Kirk, M.L.; Koetzle, F.; Piccoli, P.M.B.; Schultz, A.J.; Musaev, D.G.","A Late-Transition Metal Oxo Complex: K7 Na9 [O=PtIV (H2 O) L2], L = [P W9 O34]9-","Science","2004","306","","2074","2077","","","","","","","","","","","","","","","","","","","","","","has coordinates","161428","2020-10-21","18:00:00",""
"1534586","19.37","","17.852","","30.015","","90","","97.38","","90","","10293","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Na5 H2 ((In (H2 O)2)1.5 (Na (H2 O)2)0.5 (In (H2 O)2)2 (Sb W9 O33)2) (H2 O)28","","- H74 In3.5 Na5.5 O102 Sb2 W18 -","- In3.5 Na5.5 O102 Sb2 W18 -","- In14 Na22 O408 Sb8 W72 -","4","0.5","","Limanski, E.M.; Drewes, D.; Krebs, B.","Sandwichartige Polyoxowolframate mit Indium(III) als Heteroatom - Synthese und Charakterisierung der ersten Vertreter einer neuen Familie von Anionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","523","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","161431","2020-10-21","18:00:00",""
"1534596","17.549","","9.9173","","12.858","","90","","90","","90","","2237.79","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sb8 (Ga Cl4)2","","- Cl8 Ga2 Sb8 -","- Cl8 Ga2 Sb8 -","- Cl32 Ga8 Sb32 -","4","1","","Lindsjoe, M.; Fischer, A.; Kloo, L.","Sb8 (Ga Cl4)2: Isolation of a homopolyatomic antimony cation","Angew. Chem. Int. ed.","2004","43","","2540","2543","","","","","","","","","","","","","","","","","","","","","","has coordinates","161452","2020-10-21","18:00:00",""
"1534615","18.9241","","18.9241","","10.3725","","90","","90","","120","","3216.95","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Pr9 Se6 (Si3 N9)","","- N9 Pr9 Se6 Si3 -","- N9 Pr9 Se6 Si3 -","- N54 Pr54 Se36 Si18 -","6","0.333333","","Lissner, F.; Schleid, T.","Pr3 Se2 Si N3: Das erste Nitrido-cyclo-Trisilicat mit diskreten (Si3 N9)(15-)-Anionen gemaess Pr9 Se6 (Si3 N9)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2226","2230","","","","","","","","","","","","","","","","","","","","","","has coordinates","161483","2020-10-21","18:00:00",""
"1534647","18.989","","7.9758","","9.1112","","90","","108.39","","90","","1309.44","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Na (N H4) (Ni3 (P2 O7)2 (H2 O)2)","","- H8 N Na Ni3 O16 P4 -","- H8 N Na Ni3 O16 P4 -","- H32 N4 Na4 Ni12 O64 P16 -","4","0.5","","Liu, W.; Chen, H.-H.; Yang, X.X.; Zhao, J.-T.; Huang, Y.-X.; Schnelle, W.","A mixed cation nickel diphosphate with a layered intergrowth structure: synthesis, structural and magnetic characterization of Na (N H4) (Ni2 (P2 O7)2 (H2 O)2)","Solid State Sciences","2004","6","","1375","1380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534657","16.333","","12.5115","","13.0321","","90","","103.457","","90","","2590","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ba4 La (Ge Se4)3 Se Sb","","- Ba4 Ge3 La Sb Se13 -","- Ba4 Ge3 La Sb Se13 -","- Ba16 Ge12 La4 Sb4 Se52 -","4","1","","Assoud, A.; Soheilnia, N.; Kleinke, H.","Crystal and electronic structure of the red semiconductor Ba4 La Sb Ge3 Se13 comprising the complex anion (Ge2 Se7-Sb2 Se4-Ge2 Se7)(14-)","Journal of Solid State Chemistry","2004","177","","2249","2254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534659","4.0866","","4.0866","","6.8538","","90","","90","","90","","114.461","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ce Cl O -","- Ce Cl O -","- Ce2 Cl2 O2 -","2","0.125","","Schnick, W.","Cerium chloride oxide","Private Communication","2004","2004","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534664","12.67","","8.076","","7.215","","90","","94.47","","90","","736.014","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pd (Ga Br4)2","","- Br8 Ga2 Pd -","- Br8 Ga2 Pd -","- Br16 Ga4 Pd2 -","2","0.25","","Gorlov, M.; Fischer, A.; Kloo, L.","Synthesis and crystal structures of new palladium(II) - gallium(III) complexes with bridging halogenide ligands","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","324","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534668","13.631","","8.499","","7.566","","90","","95.38","","90","","872.659","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pd (Ga I4)2","","- Ga2 I8 Pd -","- Ga2 I8 Pd -","- Ga4 I16 Pd2 -","2","0.25","","Gorlov, M.; Kloo, L.; Fischer, A.","Synthesis and crystal structures of new palladium(II) - gallium(III) complexes with bridging halogenide ligands","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","324","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534673","12.987","","4.07","","13.47","","90","","98.14","","90","","704.812","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ca4 Ir8 As7","","- As7 Ca4 Ir8 -","- As7 Ca4 Ir8 -","- As14 Ca8 Ir16 -","2","0.5","","Loehken, A.; Mewis, A.","Die Kristallstrukturen von Ca4 Ir8 P7 und Ca4 Ir8 As7 sowie ihre Beziehung zum Th Cr2 Si2-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2418","2421","","","","","","","","","","","","","","","","","","","","","","has coordinates","161601","2020-10-21","18:00:00",""
"1534676","12.56","","3.945","","13.042","","90","","98.81","","90","","638.596","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ca4 Ir8 P7 -","- Ca4 Ir8 P7 -","- Ca8 Ir16 P14 -","2","0.5","","Loehken, A.; Mewis, A.","Die Kristallstrukturen von Ca4 Ir8 P7 und Ca4 Ir8 As7 sowie ihre Beziehung zum Th Cr2 Si2-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2418","2421","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534695","9.49","","9.49","","33.555","","90","","90","","120","","2617.1","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co3 Mg2 Sn10.01 -","- Co3 Mg2 Sn10.0095 -","- Co24 Mg16 Sn80.076 -","8","0.333333","","Schreyer, M.; Kraus, G.; Faessler, T.F.","Novel combination of coordination polyhedra in Mg2 Co3 Sn(10+x) - the first phase in the Mg/Co/Sn system","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2520","2526","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534774","9.948","","9.948","","33.376","","90","","90","","120","","2860.46","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(Li3 (H2 O)12) (Ru Cl6)","","- Cl6 H24 Li3 O12 Ru -","- Cl6 H24 Li3 O12 Ru -","- Cl36 H144 Li18 O72 Ru6 -","6","0.166667","","Bai, L.-X.; Liao, D.-Z.; Wang, W.-Z.; Wang, Q.-L.","A novel ruthenium(III) and lithium complex: synthesis, crystal structure and magnetic properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1143","1146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534778","6.4214","","9.19","","9.263","","64.939","","82.961","","89.692","","490.782","","","","","","","","","","","","","3","P -1","-P 1","2","","Sr10 (Mo2 N6) (Mo N4)2","","- Mo4 N14 Sr10 -","- Mo4 N14 Sr10 -","- Mo4 N14 Sr10 -","1","0.5","","Bailey, M.S.; McGuire, M.A.; DiSalvo, F.J.","Sr10 (Mo2 N6)(Mo N4)2 and beta-Sr3 Mo N4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2177","2185","","","","","","","","","","","","","","","","","","","","","","has coordinates","161760","2020-10-21","18:00:00",""
"1534782","10.4385","","9.7374","","11.51111","","90","","90","","90","","1170.03","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Sr3 Mo N4","","- Mo N4 Sr3 -","- Mo N4 Sr3 -","- Mo8 N32 Sr24 -","8","1","","Bailey, M.S.; McGuire, M.A.; DiSalvo, F.J.","Sr10 (Mo2 N6)(Mo N4)2 and beta-Sr3 Mo N4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2177","2185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534805","11.391","","11.565","","13.391","","90","","90.32","","90","","1764.06","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","K2 (((C F3)2 F2 Pt) (O H)2 (Pt F2 (C F3)2)) (H2 O)2","","- C4 H6 F16 K2.031 O4 Pt2.062 -","- C4 H6 F16 K2.031 O4 Pt2.062 -","- C16 H24 F64 K8.124 O16 Pt8.248 -","4","1","","Balters, S.; Bernhardt, E.; Wilner, H.; Berends, T.","Synthesen und NMR-Untersuchungen von Salzen mit den neuen Anionen (Pt Xn (C F3)6-n)(2-) (n = 0 - 5, X = F, O H, Cl, C N) und die Kristallstrukturanalyse von K2 ((C F3)2 F2 Pt (mue-(O H))2 Pt F2 (C F3)2) * 2(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","257","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534807","18.408","","8.672","","8.661","","90","","90","","90","","1382.59","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Co (N H3)6) Cl Mo O4 (H2 O)3","","- Cl Co H24 Mo N6 O7 -","- Cl Co H24 Mo N6 O7 -","- Cl4 Co4 H96 Mo4 N24 O28 -","4","0.5","","Sharma, R.P.; Venugopalan, P.; Sharma, R.; Bala, R.","Cationic cobaltammines as anion receptors. Part V. Synthesis, characterization and X-ray structure of [Co (N H3)6] Cl Mo O4 * 3 H2 O","Journal of Coordination Chemistry","2004","57","","1563","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534813","3.689","","3.689","","18.648","","90","","90","","90","","253.775","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ni5.62 Sn Se2","","- Ni5.62 Se2 Sn -","- Ni5.618 Se2 Sn -","- Ni11.236 Se4 Sn2 -","2","0.0625","","Baranov, A.I.; Isaeva, A.A.; Kloo, L.; Kulbachinskii, R.A.; Nikiforov, V.N.; Lunin, R.A.; Popovkin, B.A.","2D metal slabs in new nickel-tin chalcogenide Ni(7-delta) Sn Q2 (Q = Se, Te): crystal and electronic structure, chemical bonding and physical properties","Journal of Solid State Chemistry","2004","177","","3616","3625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534816","3.768","","3.768","","19.419","","90","","90","","90","","275.708","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ni5.76 Sn Te2 -","- Ni5.792 Sn Te2 -","- Ni11.584 Sn2 Te4 -","2","0.0625","","Baranov, A.I.; Isaeva, A.A.; Kloo, L.; Lunin, R.A.; Kulbachinskii, R.A.; Nikiforov, V.N.; Popovkin, B.A.","2D metal slabs in new nickel-tin chalcogenide Ni(7-delta) Sn Q2 (Q = Se, Te): crystal and electronic structure, chemical bonding and physical properties","Journal of Solid State Chemistry","2004","177","","3616","3625","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534819","12.3563","","5.097","","15.996","","90","","106.146","","90","","967.692","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Er2 Te4 O11","","- Er2 O11 Te4 -","- Er2 O11 Te4 -","- Er8 O44 Te16 -","4","0.5","","Shen, Y.-L.; Mao, J.-G.","Synthesis. crystal structure and luminescent properties of Er2 Te4 O11","Journal of Alloys Compd.","2004","385","","86","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","161838","2020-10-21","18:00:00",""
"1534838","9.6154","","6.4629","","12.482","","90","","92.75","","90","","774.78","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Cl3 Sn (H2 O) (O H))2 (H2 O)4","","- Cl6 H14 O8 Sn2 -","- Cl6 H14 O8 Sn2 -","- Cl12 H28 O16 Sn4 -","2","0.5","","Shihada, A.-F.; Abushamleh, A.S.; Weller, F.","Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O), cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and (HL) (Sn Cl5 (H2 O)). 2.5(H2 O) (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18 H18 N4 O2) loop","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","841","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534841","12.27","","9.9481","","8.6398","","90","","103.857","","90","","1023.91","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Cl4 Sn (H2 O)2) (H2 O)3","","- Cl4 H10 O5 Sn -","- Cl4 H10 O5 Sn -","- Cl16 H40 O20 Sn4 -","4","0.5","","Shihada, A.-F.; Abushamleh, A.S.; Weller, F.","Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O), cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and (HL) (Sn Cl5 (H2 O)). 2.5(H2 O) (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18 H18 N4 O2) loop","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","841","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534844","9.2479","","9.86","","33.622","","90","","94.73","","90","","3055.36","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rb3 (Zr2 P5 S18)","","- P5 Rb3 S18 Zr2 -","- P5 Rb3 S18 Zr2 -","- P20 Rb12 S72 Zr8 -","4","1","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A = Rb, Cs): the first quaternary zirconium thiophosphates","Solid State Sciences","2004","6","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","161882","2020-10-21","18:00:00",""
"1534845","24.0253","","6.728","","11.6293","","90","","93.787","","90","","1875.68","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(Cl4 Sn (H2 O)2) (H2 O)2","","- Cl4 H8 O4 Sn -","- Cl4 H8 O4 Sn -","- Cl32 H64 O32 Sn8 -","8","2","","Shihada, A.-F.; Abushamleh, A.S.; Weller, F.","Crystal structures and Raman spectra of cis-(Sn Cl4 (H2 O)2). 2(H2 O), cis-(Sn Cl4 (H2 O)2) . 3(H2 O), (Sn2 Cl6 (O H)2 (H2 O)2) . 4(H2 O), and (HL) (Sn Cl5 (H2 O)). 2.5(H2 O) (L=3-acetyl-5-benzyl-1-phenyl-4,5-dihydro-1,2,4-triazine-6-one oxime, C18 H18 N4 O2) loop","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","841","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534848","9.2882","","9.956","","34.061","","90","","94.26","","90","","3141.03","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cs3 (Zr2 P5 S18)","","- Cs3 P5 S18 Zr2 -","- Cs3 P5 S18 Zr2 -","- Cs12 P20 S72 Zr8 -","4","1","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and optical properties of A3 Zr2 P5 S18 (A = Rb, Cs): the first quaternary zirconium thiophosphates","Solid State Sciences","2004","6","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","161887","2020-10-21","18:00:00",""
"1534852","15.92","","15.92","","13.15","","90","","90","","90","","3332.82","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","K0.38 (Ta P S6)","","- K0.38 P S6 Ta -","- K0.38 P S6 Ta -","- K6.08 P16 S96 Ta16 -","16","0.5","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the ternary Ta P S6 phase","Solid State Sciences","2004","6","","1155","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534854","15.8802","","15.8802","","13.1561","","90","","90","","90","","3317.72","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb0.46 (Ta P S6)","","- P Rb0.46 S6 Ta -","- P Rb0.461 S6 Ta -","- P16 Rb7.376 S96 Ta16 -","16","1","","Gutzmann, A.; Naether, C.; Bensch, W.","Synthesis, crystal structure and vibrational properties of K0.38 Ta P S6 and Rb0.46 Ta P S6: chemical intercalation and deintercalation of the ternary Ta P S6 phase","Solid State Sciences","2004","6","","1155","1162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534874","12.634","","6.2037","","18.3698","","90","","90","","90","","1439.78","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Ce Ni (Sb3)","","- Ce Ni Sb3 -","- Ce Ni Sb3 -","- Ce12 Ni12 Sb36 -","12","1.5","","Macaluso, R.T.; Chan, J.Y.; Sykora, R.E.; Albrecht-Schmitt, T.E.; Wells, D.M.; Nakatsuji, S.; Fisk, Z.; Mar, A.; Lee, H.","Structure and electrical resistivity of Ce Ni Sb3","Journal of Solid State Chemistry","2004","177","","293","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534879","10.954","","10.8519","","13.2447","","90","","90","","90","","1574.42","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Te6 (Zr Cl6)","","- Cl6 Te6 Zr -","- Cl6 Te6 Zr -","- Cl24 Te24 Zr4 -","4","0.5","","Baumann, A.; Beck, J.","Synthesis and crystal structure if Te6 (M Cl6) (M = Zr, Hf), containing a polymeric chalcogen cation (Te6(2+))n","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2078","2082","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534883","10.9479","","10.8631","","13.2502","","90","","90","","90","","1575.82","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Te6 (Hf Cl6)","","- Cl6 Hf Te6 -","- Cl6 Hf Te6 -","- Cl24 Hf4 Te24 -","4","0.5","","Baumann, A.; Beck, J.","Synthesis and crystal structure if Te6 (M Cl6) (M = Zr, Hf), containing a polymeric chalcogen cation (Te6(2+))n","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2078","2082","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534904","21.537","","11.67","","7.3154","","90","","93.033","","90","","1836.05","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((Np O2) (I O3)2) (K Cl)0.5 (H2 O)3.25","","- Cl0.5 H6.5 I2 K0.5 Np O11.25 -","- Cl0.5 I2 K0.5 Np O11.25 -","- Cl4 I16 K4 Np8 O90 -","8","1","","Bean, A.C.; Scott, B.L.; Albrecht-Schmitt, T.E.; Runde, W.","Intercalation of KCl into layered neptunyl and plutonyl iodates","Journal of Solid State Chemistry","2004","177","","1346","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534908","21.57","","11.656","","7.348","","90","","94","","90","","1842.93","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((Pu O2) (I O3)2) (K Cl)0.5 (H2 O)2.5","","- Cl0.5 H5 I2 K0.5 O10.5 Pu -","- Cl0.5 I2 K0.5 O10.5 Pu -","- Cl4 I16 K4 O84 Pu8 -","8","1","","Bean, A.C.; Scott, B.L.; Albrecht-Schmitt, T.E.; Runde, W.","Intercalation of KCl into layered neptunyl and plutonyl iodates","Journal of Solid State Chemistry","2004","177","","1346","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534958","7.6998","","7.6998","","7.6998","","55.787","","55.787","","55.787","","291.257","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","Sb (N3)3","","- N9 Sb -","- N9 Sb -","- N18 Sb2 -","2","0.333333","","Haiges, R.; Gerken, M.; Vij, A.; Boatz, J.A.; Schneider, S.; Schroer, T.; Christe, K.O.","First structural characterization of binary As(III) and Sb(III) azides","Chemistry - A European Journal","2004","10","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534962","7.3263","","11.7162","","6.9865","","90","","107.219","","90","","572.818","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","As (N3)3","","- As N9 -","- As N9 -","- As4 N36 -","4","1","","Haiges, R.; Vij, A.; Schneider, S.; Boatz, J.A.; Schroer, T.; Gerken, M.; Christe, K.O.","First Structural Characterization of Binary AsIII and SbIII Azides","Chemistry - A European Journal","2004","10","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534980","14.6028","","5.8131","","10.5858","","90","","104.968","","90","","868.113","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na7 (Co O3)2","","- Co2 Na7 O6 -","- Co2 Na7 O6 -","- Co8 Na28 O24 -","4","0.5","","Sofin, M.; Peters, E.M.; Jansen, M.","Unusual charge distribution in Na7 (Co O3)2","Solid State Sciences","2004","6","","1163","1168","","","","","","","","","","","","","","","","","","","","","","has coordinates","162075","2020-10-21","18:00:00",""
"1534989","5.5891","","6.0945","","7.889","","110.059","","108.669","","90.237","","237.171","","","","","","","","","","","","","3","P -1","-P 1","2","","Na7 (Cu3 O8)","","- Cu3 Na7 O8 -","- Cu3 Na7.052 O8 -","- Cu3 Na7.052 O8 -","1","0.5","","Sofin, M.; Peters, E.M.; Jansen, M.","Synthesis and crystal structure of Na7 Cu3 O8, containing a new type of oxocuprate(III) oligoanion","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1547","1549","","","","","","","","","","","","","","","","","","","","","","has coordinates","162088","2020-10-21","18:00:00",""
"1535011","5.177","","16.815","","7.6836","","90","","94.1","","90","","667.155","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na In (B P2 O8 (O H))","","- B H In Na O9 P2 -","- B H In Na O9 P2 -","- B4 H4 In4 Na4 O36 P8 -","4","1","","Mao, S.Y.; Li, M.-R.; Wei, Z.-B.; Mi Jinxiao; Zhao, J.-T.","Studies on the intergrowth structures in indium(In) borophosphates","Wuji Huaxue Xuebao","2004","20","","53","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535029","8.1616","","10.0527","","8.4484","","90","","109.128","","90","","654.888","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","(C3 Cl3 S2) (Mo O Cl4)","","- C3 Cl7 Mo O S2 -","- C3 Cl7 Mo O S2 -","- C6 Cl14 Mo2 O2 S4 -","2","1","","Beck, J.; Koch, M.","Dithiolylium - Chlorooxomolybdate(V): Synthese und Kristallstruktur von (C3 Cl3 S2) (Mo O Cl4) und (C3 Cl3 S2) (Mo2 O2 Cl7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535030","5.62128","","5.62128","","7.5512","","90","","90","","90","","238.609","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Sr2 (Be4 N4)","","- Be4 N4 Sr2 -","- Be4 N4 Sr2 -","- Be8 N8 Sr4 -","2","0.0625","","Somer, M.; Schnelle, W.; Yarasik, A.; Leoni, S.; Aksel'rud, L.G.; Rosner, H.; Kniep, R.","AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals","Angew. Chem. Int. ed.","2004","43","","1088","1092","","","","","","","","","","","","","","","","","","","","","","has coordinates","162152","2020-10-21","18:00:00",""
"1535032","11.6692","","19.1846","","16.4266","","90","","94.921","","90","","3663.85","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(C3 Cl3 S2) (Mo2 O2 Cl7)","","- C3 Cl10 Mo2 O2 S2 -","- C3 Cl10 Mo2 O2 S2 -","- C24 Cl80 Mo16 O16 S16 -","8","2","","Beck, J.; Koch, M.","Dithiolylium - Chlorooxomolybdate(V): Synthese und Kristallstruktur von (C3 Cl3 S2) (Mo O Cl4) und (C3 Cl3 S2) (Mo2 O2 Cl7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535033","5.5615","","5.5615","","6.8797","","90","","90","","90","","212.791","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ca2 (Be4 N4)","","- Be4 Ca2 N4 -","- Be4 Ca2 N4 -","- Be8 Ca4 N8 -","2","0.0625","","Somer, M.; Yarasik, A.; Aksel'rud, L.G.; Schnelle, W.; Leoni, S.; Rosner, H.; Kniep, R.","AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals","Angew. Chem. Int. ed.","2004","43","","1088","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","162156","2020-10-21","18:00:00",""
"1535034","11.816","","11.816","","11.0475","","90","","90","","90","","1542.43","","","","","","","","","","","","","4","I -4","I -4","82","","(Bi4 S4) (Al Cl4)4","","- Al4 Bi4 Cl16 S4 -","- Al4 Bi4 Cl16 S4 -","- Al8 Bi8 Cl32 S8 -","2","0.25","","Beck, J.; Zotov, N.; Schlueter, S.","The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2512","2519","","","","","","","","","","","","","","","","","","","","","","has coordinates","162158","2020-10-21","18:00:00",""
"1535035","2.9553","","2.9553","","5.088","","90","","90","","120","","38.484","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Mg (Be2 N2)","","- Be2 Mg N2 -","- Be2 Mg N2 -","- Be2 Mg N2 -","1","0.0833333","","Somer, M.; Yarasik, A.; Schnelle, W.; Aksel'rud, L.G.; Rosner, H.; Leoni, S.; Kniep, R.","AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals","Angew. Chem. Int. ed.","2004","43","","1088","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535036","11.9932","","11.9932","","11.1864","","90","","90","","90","","1609.02","","","","","","","","","","","","","4","I -4","I -4","82","","(Bi4 Se4) (Al Cl4)4","","- Al4 Bi4 Cl16 Se4 -","- Al4 Bi4 Cl16 Se4 -","- Al8 Bi8 Cl32 Se8 -","2","0.25","","Beck, J.; Schlueter, S.; Zotov, N.","The cube-shaped main group element clusters (Bi4 S4)(4+) and (Bi4 Se4)(4+) - synthesis from chloroaluminate melts, crystal structures and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2512","2519","","","","","","","","","","","","","","","","","","","","","","has coordinates","162162","2020-10-21","18:00:00",""
"1535037","9.2015","","3.6676","","9.9874","","90","","90","","90","","337.049","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ca2 (B N2) H","","- B Ca2 H N2 -","- B Ca2 H N2 -","- B4 Ca8 H4 N8 -","4","0.5","","Somer, M.; Carillo-Cabrera, W.; Yaren, O.; Prots', Yu.M.; Reckeweg, O.","Ca2 (B N2) H: The first nitrido-borate hydride - synthesis, crystal structure and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1068","1073","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535058","8.3871","","8.3871","","18.5634","","90","","90","","90","","1305.81","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Co6 (Te O3)2 (Te O6) Cl2","","- Cl2 Co6 O12 Te3 -","- Cl2 Co6 O12 Te3 -","- Cl8 Co24 O48 Te12 -","4","0.25","","Becker, R.; Johnsson, M.","Crystal structure of the new compound Co6 (Te O3)2 (Te O6) Cl2","Solid State Sciences","2004","6","","519","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","162219","2020-10-21","18:00:00",""
"1535063","9.6986","","9.6986","","6.6957","","90","","90","","120","","545.437","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Gd4.667 S (Si3 O12)","","- Gd4.667 O12 S Si3 -","- Gd4.686 O12 S Si3 -","- Gd9.372 O24 S2 Si6 -","2","0.166667","","Hartenbach, I.; Schleid, T.","Gd(4.667) S (Si O4)3: Ein Gadoliniumsulfid-ortho-silicat im Bromapatit-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1727","1727","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535094","8.292","","8.292","","20.122","","90","","90","","90","","1383.53","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","La5 Al4 Br4","","- Al4 Br4 La5 -","- Al4 Br4 La5 -","- Al16 Br16 La20 -","4","0.125","","Mattausch, H.J.; Zheng, C.; Oeckler, O.; Simon, A.","Die Verbindung La5 Br4 Al4 und ihre topologische Verwandtschaft mit dem Ln3 Cl Ga4-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","631","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","162280","2020-10-21","18:00:00",""
"1535132","13.653","","18.526","","6.874","","90","","90","","90","","1738.68","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","La (H P2 O7) (H2 O)3","","- H7 La O10 P2 -","- H7 La O10 P2 -","- H56 La8 O80 P16 -","8","","","Ben Moussa, S.; Sanz, J.; Ventemillas, S.; Cabeza, A.; Gutierrez-Puebla, E.","Structure of trihydrated rare-earth acid diphosphates Ln H P2 O7 * 3(H2 O) (Ln = La, Er)","Journal of Solid State Chemistry","2004","177","","2129","2137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535134","6.3986","","6.8679","","9.7483","","82.009","","79.949","","88.408","","417.715","","","","","","","","","","","","","4","P -1","-P 1","2","","Er (H P2 O7) (H2 O)3","","- Er H7 O10 P2 -","- Er H3 O10 P2 -","- Er2 H6 O20 P4 -","2","1","","Ben Moussa, S.; Ventemillas, S.; Cabeza, A.; Gutierrez-Puebla, E.; Sanz, J.","Structure of trihydrated rare-earth acid diphosphates Ln H P2 O7 * 3(H2 O) (Ln = La, Er)","Journal of Solid State Chemistry","2004","177","","2129","2137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535138","7.2852","","9.9568","","13.2519","","90","","90","","90","","961.257","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Mn3 (O H)2 (S O4)2 (H2 O)2","","- H6 Mn3 O12 S2 -","- H4 Mn3 O12 S2 -","- H16 Mn12 O48 S8 -","4","0.5","","Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Bouree-Vigneron, F.; Richard-Plouet, M.; Gilles, A.; Mhiri, T.","Synthesis, nuclear, and magnetic structures and magnetic properties of (Mn3 (O H)2 (S O4)2 (H2 O)2)","Chemistry - A European Journal","2004","10","","2048","2057","","","","","","","","","","","","","","","","","","","","","","has coordinates","162340","2020-10-21","18:00:00",""
"1535148","10.732","","6.941","","6.814","","90","","90","","90","","507.58","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Cu F (As F6)","","- As Cu F7 -","- As Cu F7 -","- As4 Cu4 F28 -","4","0.25","","Mazej, Z.; Arcon, I.; Benkic, P.; Tressaud, A.; Kodre, A.","Compressed octahedral coordination in chain compounds containing divalent copper: Structure and magnetic properties of CuFAsF6 and CsCuAlF6","Chemistry - A European Journal","2004","10","","5052","5058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535153","10.0492","","10.0492","","28.3855","","90","","90","","120","","2482.5","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Ba12 Rh9.248 Ir1.752 O33","","- Ba12 Ir1.752 O33 Rh9.248 -","- Ba12 Ir1.752 O33 Rh9.248 -","- Ba36 Ir5.256 O99 Rh27.744 -","3","0.166667","","Stitzer, K.E.; zur Loye, H.C.; El Abed, A.; Darriet, J.","Crystal growth, structure determination and magnetism of a new m=1, n=1 member of the A(3n+3m) A'(n) B(3m+n) O(9m+6n) family of oxides: 12R-Ba12 Rh9.25 Ir1.75 O33","Journal of Solid State Chemistry","2004","177","","1405","1411","","","","","","","","","","","","","","","","","","","","","","has coordinates","162360","2020-10-21","18:00:00",""
"1535182","3.34554","","11.16684","","13.49639","","90","","90","","90","","504.213","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ca2 Tl2 O5","","- Ca2 O5 Tl2 -","- Ca2 O5 Tl2 -","- Ca8 O20 Tl8 -","4","0.25","","Berastegui, P.; Eriksson, S.; Hull, S.; Eriksen, J.; Garcia Garcia, F.J.","Synthesis and crystal structure of the alkaline-earth thallates Mn(n) Tl2 O(3+n) (M = Ca, Sr)","Solid State Sciences","2004","6","","433","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","162409","2020-10-21","18:00:00",""
"1535185","11.25285","","16.51255","","3.334594","","90","","90","","90","","619.612","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Ca3 Tl2 O6","","- Ca3 O6 Tl2 -","- Ca3 O6 Tl2 -","- Ca12 O24 Tl8 -","4","0.5","","Berastegui, P.; Eriksson, S.; Eriksen, J.; Hull, S.; Garcia Garcia, F.J.","Synthesis and crystal structure of the alkaline-earth thallates Mn(n) Tl2 O(3+n) (M = Ca, Sr)","Solid State Sciences","2004","6","","433","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","162413","2020-10-21","18:00:00",""
"1535188","10.5363","","10.5363","","10.5363","","90","","90","","90","","1169.67","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Tl2 O3","","- O3 Tl2 -","- O3 Tl2 -","- O48 Tl32 -","16","0.333333","","Berastegui, P.; Hull, S.; Eriksson, S.; Eriksen, J.; Garcia Garcia, F.J.","Synthesis and crystal structure of the alkaline-earth thallates Mn(n) Tl2 O(3+n) (M = Ca, Sr)","Solid State Sciences","2004","6","","433","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","162417","2020-10-21","18:00:00",""
"1535194","12.276","","7.0783","","13.329","","90","","104.276","","90","","1122.43","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Nd2 (Se O3)2 (Se O4) (H2 O)2","","- H4 Nd2 O12 Se3 -","- H4 Nd2 O12 Se3.002 -","- H16 Nd8 O48 Se12.008 -","4","0.5","","Berdonosov, P.S.; Schmidt, P.; Dolgikh, V.A.; Dityat'yev, O.A.; Lightfoot, P.; Ruck, M.","Nd2 (Se O3)2 (Se O4) . H2 O - a mixed-valence compound aontaining selenium in the oxidation states +IV and +VI","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1395","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","162425","2020-10-21","18:00:00",""
"1535220","4.1248","","14.6807","","17.3483","","90","","90","","90","","1050.53","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Dy2 Se5 -","- Cs Cu3 Dy2 Se5 -","- Cs4 Cu12 Dy8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535223","4.1031","","14.6678","","17.2317","","90","","90","","90","","1037.06","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Er2 Se5 -","- Cs Cu3 Er2 Se5 -","- Cs4 Cu12 Er8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535225","4.1529","","14.6934","","17.4842","","90","","90","","90","","1066.89","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Gd2 Se5 -","- Cs Cu3 Gd2 Se5 -","- Cs4 Cu12 Gd8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535226","4.1156","","14.6743","","17.2895","","90","","90","","90","","1044.17","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Ho2 Se5 -","- Cs Cu3 Ho2 Se5 -","- Cs4 Cu12 Ho8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535228","4.0763","","14.6486","","17.0721","","90","","90","","90","","1019.41","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Lu2 Se5 -","- Cs Cu3 Lu2 Se5 -","- Cs4 Cu12 Lu8 Se20 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535230","8.475","","9.869","","9.889","","112.06","","111.97","","96.99","","677.004","","","","","","","","","","","","","4","P -1","-P 1","2","","Zn3 (H P O4)3 (H2 O)3","","- H9 O15 P3 Zn2.5 -","- H9 O15 P3 Zn2.5 -","- H18 O30 P6 Zn5 -","2","1","","Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wegner, G.","The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates","Chemistry - A European Journal","2004","10","","2795","2803","","","","","","","","","","","","","","","","","","","","","","has coordinates","162492","2020-10-21","18:00:00",""
"1535232","4.1784","","14.7091","","17.6478","","90","","90","","90","","1084.64","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Cu3 Sm2 Se5","","- Cs Cu3 Se5 Sm2 -","- Cs Cu3 Se5 Sm2 -","- Cs4 Cu12 Se20 Sm8 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535236","4.1372","","14.6875","","17.413","","90","","90","","90","","1058.1","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Cu3 Tb2 Se5","","- Cs Cu3 Se5 Tb2 -","- Cs Cu3 Se5 Tb2 -","- Cs4 Cu12 Se20 Tb8 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535238","4.094","","14.6619","","17.1756","","90","","90","","90","","1030.98","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Cu3 Tm2 Se5","","- Cs Cu3 Se5 Tm2 -","- Cs Cu3 Se5 Tm2 -","- Cs4 Cu12 Se20 Tm8 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535239","4.0857","","14.6552","","17.1204","","90","","90","","90","","1025.11","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Cu3 Yb2 Se5","","- Cs Cu3 Se5 Yb2 -","- Cs Cu3 Se5 Yb2 -","- Cs4 Cu12 Se20 Yb8 -","4","0.25","","Strobel, S.; Schleid, T.","Quaternaere Caesium - Kupfer(I) - Lanthanoid(III) - Selenide vom Typ Cs Cu3 M2 Se5 (M = Sm, Gd - Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","706","711","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535241","6.2915","","6.2915","","6.2915","","90","","90","","90","","249.036","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Ce Ir Si -","- Ce Ir Si -","- Ce4 Ir4 Si4 -","4","0.333333","","Heying, B.; Valldor, M.; Poettgen, R.; Rodewald, U.C.; Hoffmann, R.D.; Mishra, R.","Synthesis, structure and magnetic properties of the silicides RE Ir Si (RE = Ce, Pr, Er, Tm, Lu) and Sm Ir0.266(8) Si1.734(8)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1335","1347","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535243","4.093","","4.093","","13.972","","90","","90","","90","","234.068","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Sm Ir0.266 Si1.734","","- Ir0.266 Si1.734 Sm -","- Ir0.266 Si1.734 Sm -","- Ir1.064 Si6.936 Sm4 -","4","0.125","","Heying, B.; Poettgen, R.; Valldor, M.; Hoffmann, R.D.; Rodewald, U.C.; Mishra, R.","Synthesis, structure and magnetic properties of the silicides RE Ir Si (RE = Ce, Pr, Er, Tm, Lu) and Sm Ir0.266(8) Si1.734(8)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1335","1347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535244","6.734","","4.161","","7.449","","90","","90","","90","","208.722","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Er Ir Si -","- Er Ir Si -","- Er4 Ir4 Si4 -","4","0.5","","Heying, B.; Poettgen, R.; Hoffmann, R.D.; Mishra, R.; Valldor, M.; Rodewald, U.C.","Synthesis, structure and magnetic properties of the silicides RE Ir Si (RE = Ce, Pr, Er, Tm, Lu) and Sm Ir0.266(8) Si1.734(8)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1335","1347","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535246","6.64","","4.129","","7.426","","90","","90","","90","","203.595","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Ir Si","","- Ir Lu Si -","- Ir Lu Si -","- Ir4 Lu4 Si4 -","4","0.5","","Heying, B.; Hoffmann, R.D.; Poettgen, R.; Valldor, M.; Rodewald, U.C.; Mishra, R.","Synthesis, structure and magnetic properties of the silicides RE Ir Si (RE = Ce, Pr, Er, Tm, Lu) and Sm Ir0.266(8) Si1.734(8)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1335","1347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535253","8.253","","8.253","","8.253","","90","","90","","90","","562.128","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Yb4 Rh7 Ge6","","- Ge6 Rh7 Yb4 -","- Ge6 Rh7 Yb4 -","- Ge12 Rh14 Yb8 -","2","0.0208333","","Heying, B.; Poettgen, R.; Katoh, K.; Ochiai, A.; Niide, Y.","Synthesis and structure of Yb4 Rh7 Ge6 and Yb4 Ir7 Ge6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1423","1426","","","","","","","","","","","","","","","","","","","","","","has coordinates","162532","2020-10-21","18:00:00",""
"1535256","8.266","","8.266","","8.266","","90","","90","","90","","564.789","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Yb4 Ir7 Ge6","","- Ge6 Ir7 Yb4 -","- Ge6 Ir7 Yb4 -","- Ge12 Ir14 Yb8 -","2","0.0208333","","Heying, B.; Katoh, K.; Niide, Y.; Ochiai, A.; Poettgen, R.","Synthesis and structure of Yb4 Rh7 Ge6 and Yb4 Ir7 Ge6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1423","1426","","","","","","","","","","","","","","","","","","","","","","has coordinates","162536","2020-10-21","18:00:00",""
"1535265","6.438","","10.515","","13.166","","90","","90","","90","","891.28","","","","","","","","","","","","","5","I m m a (c,a,b)","-I 2b 2 (z,x,y)","74","","Na1.28 Ni0.86 Fe2 (P O4)3","","- Fe2 Na1.28 Ni0.86 O12 P3 -","- Fe2 Na1.277 Ni0.8615 O12 P3 -","- Fe8 Na5.108 Ni3.446 O48 P12 -","4","","","Hidouri, M.; Lajmi, B.; Driss, A.; Ben Amara, M.","Synthesis and crystal structure of Na~1.28~Ni~0.86~Fe~2~(PO~4~)~3~","Journal of Chemical Crystallography","2004","34","10","669","672","10.1023/B:JOCC.0000047641.37337.db","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535268","12.099","","12.48","","6.404","","90","","113.77","","90","","884.948","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Na4 Ca Fe4 (P O4)6","","- Ca Fe4 Na4 O24 P6 -","- Ca Fe4 Na4 O24 P6 -","- Ca2 Fe8 Na8 O48 P12 -","2","0.25","","Hidouri, M.; Wattiaux, A.; Lajmi, B.; Darriet, J.; Fournes, L.; Amara, M.B.","Characterization by X-ray diffraction, magnetic susceptibility and Mossbauer spectroscopy of a new alluaudite-like phosphate: Na4 Ca Fe4 (P O4)6","Journal of Solid State Chemistry","2004","177","","55","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535287","10.5757","","5.6338","","6.1059","","90","","90","","90","","363.798","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","Ru Cl3","","- Cl3 Ru -","- Cl3 Ru -","- Cl12 Ru4 -","4","0.5","","Hillebrecht, H.; Ludwig, T.; Thiele, G.","About trihalodes with Ti I3 chain structure: Proof of pair forming of cations in beta-Ru Cl3 and Ru Br3 by temperature dependent single crystal x-ray analyses","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2199","2204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535290","11.2561","","5.8725","","6.4987","","90","","90","","90","","429.573","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","Ru Br3","","- Br3 Ru -","- Br3 Ru -","- Br12 Ru4 -","4","0.5","","Hillebrecht, H.; Thiele, G.; Ludwig, T.","About trihalodes with Ti I3 chain structure: Proof of pair forming of cations in beta-Ru Cl3 and Ru Br3 by temperature dependent single crystal x-ray analyses","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2199","2204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535291","7.0609","","14.5686","","14.7047","","119.547","","95.256","","93.206","","1301.43","","","","","","","","","","","","","5","P -1","-P 1","2","","K3 ((U O2)2 (I O3)6) (I O3) (H2 O)","","- H2 I7 K3 O26 U2 -","- I7 K3 O26 U2 -","- I14 K6 O52 U4 -","2","1","","Sykora, R.E.; Scott, B.L.; Bean, A.C.; Runde, W.; Albrecht-Schmitt, T.E.","New one-dimensional uranyl and neptunyl iodates: crystal structures of K3 ((U O2)2 (I O3)6) (I O3) . (H2 O) and K (Np O2 (I O3)3) . 1.5(H2 O)","Journal of Solid State Chemistry","2004","177","","725","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","162590","2020-10-21","18:00:00",""
"1535292","4.8142","","7.9898","","7.4868","","90","","104.398","","90","","278.931","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Li2 Fe ((P O4) (H P O4))","","- Fe H Li2 O8 P2 -","- Fe H Li2 O8 P2 -","- Fe2 H2 Li4 O16 P4 -","2","0.5","","Mi Jinxiao; Borrmann, H.; Zhao Jingthai; Zhang Hui; Huang Yaxi; Schnelle, W.; Kniep, R.","Synthesis, magnetism, and crystal structure of Li2 Fe ((P O4) (H P O4)) and its hydrogen position refinement","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1632","1636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535293","6.5215","","6.5215","","5.8851","","90","","90","","120","","216.76","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Ru Br3","","- Br3 Ru -","- Br3 Ru -","- Br6 Ru2 -","2","0.0833333","","Hillebrecht, H.; Ludwig, T.; Thiele, G.","About trihalodes with Ti I3 chain structure: Proof of pair forming of cations in beta-Ru Cl3 and Ru Br3 by temperature dependent single crystal x-ray analyses","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2199","2204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535294","7.796","","7.151","","21.785","","90","","97.399","","90","","1204.38","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K ((Np O2) (I O3)3) (H2 O)1.5","","- H3 I3 K Np O12.5 -","- I3 K Np O12.5 -","- I12 K4 Np4 O50 -","4","1","","Sykora, R.E.; Bean, A.C.; Albrecht-Schmitt, T.E.; Scott, B.L.; Runde, W.","New one-dimensional uranyl and neptunyl iodates: crystal structures of K3 ((U O2)2 (I O3)6) (I O3) . (H2 O) and K (Np O2 (I O3)3) . 1.5(H2 O)","Journal of Solid State Chemistry","2004","177","","725","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535296","10.9583","","22.5819","","7.9552","","90","","90","","90","","1968.59","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","K6 ((U O2)4 (Cr O4)7) (H2 O)6","","- Cr7 H12 K6 O42 U4 -","- Cr7 K6 O42 U4 -","- Cr14 K12 O84 U8 -","2","0.5","","Sykora, R.E.; McDaniel, S.M.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and structure of K6 ((U O2)4 (Cr O4)7) . 6H2 O: a layered uranyl chromate with a new uranyl sheet topology","Journal of Solid State Chemistry","2004","177","","1431","1436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535300","13.49","","4.0034","","5.1419","","90","","104.165","","90","","269.25","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(U O2) (Sb2 O4)","","- O6 Sb2 U -","- O6 Sb2 U -","- O12 Sb4 U2 -","2","0.25","","Sykora, R.E.; King, J.E.; Ilies, A.J.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis, structure, and catalytic properties of U O2 Sb2 O4","Journal of Solid State Chemistry","2004","177","","1717","1722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535304","7.2014","","8.5062","","13.4622","","90","","100.142","","90","","811.762","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cm (I O3)3","","- Cm I3 O9 -","- Cm I3 O9 -","- Cm4 I12 O36 -","4","1","","Sykora, R.E.; Assefa, Z.; Albrecht-Schmitt, T.E.; Haire, R.G.","Hydrothermal synthesis, structure, Raman spectroscopy, and self-irradiation studies of 248Cm (I O3)3","Journal of Solid State Chemistry","2004","177","","4413","4419","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535308","15.9593","","15.9593","","14.2149","","90","","90","","90","","3620.52","","","","","","","","","","","","","5","I 4 c m","I 4 -2c","108","","Cs6 ((U O2)4 (W5 O21) (O H)2 (H2 O)2)","","- Cs6 H6 O33 U4 W5 -","- Cs6 O33 U4 W5 -","- Cs24 O132 U16 W20 -","4","0.25","","Sykora, R.E.; Albrecht-Schmitt, T.E.","Hydrothermal synthesis and crystal structure of Cs6 ((U O2)4 (W5 O21) (O H)2 (H2 O)2): a new polar uranyl tungstate","Journal of Solid State Chemistry","2004","177","","3729","3734","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535327","8.591","","8.591","","5.091","","90","","90","","120","","325.403","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Na Ba Bi","","- Ba Bi Na -","- Ba Bi Na -","- Ba3 Bi3 Na3 -","3","0.25","","Hirt, H.; Deiseroth, H.J.","The new polar intermetallic compound Na Ba Bi","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1357","1359","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535331","9.808","","5.281","","17.973","","90","","90","","90","","930.93","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Ir (In1.3 Mg0.7)","","- In1.3 Ir Mg0.7 -","- In1.296 Ir Mg0.704 -","- In20.736 Ir16 Mg11.264 -","16","0.5","","Hlukhyy, V.; Poettgen, R.; Hoffmann, R.D.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535333","9.819","","5.288","","17.992","","90","","90","","90","","934.196","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Ir (In1.47 Mg0.53)","","- In1.47 Ir Mg0.53 -","- In1.466 Ir Mg0.534 -","- In23.456 Ir16 Mg8.544 -","16","0.5","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535337","7.887","","7.887","","8.366","","90","","90","","120","","450.684","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ir (In0.97 Mg2.03)","","- In0.97 Ir Mg2.03 -","- In0.968333 Ir Mg2.03167 -","- In5.81 Ir6 Mg12.19 -","6","0.5","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535341","7.886","","7.886","","8.327","","90","","90","","120","","448.469","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ir (In0.8 Mg2.2)","","- In0.8 Ir Mg2.2 -","- In0.798 Ir Mg2.202 -","- In4.788 Ir6 Mg13.212 -","6","0.5","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535344","8.671","","8.671","","8.164","","90","","90","","120","","531.584","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Pd2 Mg5","","- Mg5 Pd2 -","- Mg5 Pd2 -","- Mg20 Pd8 -","4","0.166667","","Hlukhyy, V.; Poettgen, R.","Preparation and structure refinements of Pd2 Mg5 and Ir2.096 Mg1.98 In2.924 with hexagonal Co2 Al5 type structure","Intermetallics","2004","12","","533","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","162658","2020-10-21","18:00:00",""
"1535347","8.339","","8.339","","8.601","","90","","90","","120","","517.973","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ir2.096 Mg1.980 In2.924","","- In2.924 Ir2.096 Mg1.98 -","- In2.9235 Ir2.0965 Mg1.98 -","- In11.694 Ir8.386 Mg7.92 -","4","0.166667","","Hlukhyy, V.; Poettgen, R.","Preparation and structure refinements of Pd2 Mg5 and Ir2.096 Mg1.98 In2.924 with hexagonal Co2 Al5 type structure","Intermetallics","2004","12","","533","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","162661","2020-10-21","18:00:00",""
"1535350","4.3152","","10.42","","7.3","","90","","90","","90","","328.24","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y Ni In2","","- In2 Ni Y -","- In2 Ni Y -","- In8 Ni4 Y4 -","4","0.25","","Hlukhyy, V.; Zaremba, V.I.; Kal'ichak, Ya.M.; Poettgen, R.","Synthesis and structures of Y Ni In2 and Y4 Ni11 In20","Journal of Solid State Chemistry","2004","177","","1359","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535354","22.512","","4.3077","","16.585","","90","","124.62","","90","","1323.56","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Y4 Ni11 In20","","- In20 Ni11 Y4 -","- In20 Ni11 Y4 -","- In40 Ni22 Y8 -","2","0.25","","Hlukhyy, V.; Zaremba, V.I.; Kal'ichak, Ya.M.; Poettgen, R.","Synthesis and structures of Y Ni In2 and Y4 Ni11 In20","Journal of Solid State Chemistry","2004","177","","1359","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","162669","2020-10-21","18:00:00",""
"1535357","16.081","","16.081","","8.4232","","90","","90","","120","","1886.4","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ir3 Mg9.64 In3.36","","- In3.36 Ir3 Mg9.64 -","- In3.36 Ir3 Mg9.64 -","- In20.16 Ir18 Mg57.84 -","6","0.166667","","Hlukhyy, V.; Poettgen, R.","Synthesis and structures of Ir3 Mg13-x Inx","Journal of Solid State Chemistry","2004","177","","1646","1650","","","","","","","","","","","","","","","","","","","","","","has coordinates","162673","2020-10-21","18:00:00",""
"1535360","16.062","","16.062","","8.4337","","90","","90","","120","","1884.29","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ir3 Mg10.63 In2.37","","- In2.37 Ir3 Mg10.63 -","- In2.377 Ir3 Mg10.623 -","- In14.262 Ir18 Mg63.738 -","6","0.166667","","Hlukhyy, V.; Poettgen, R.","Synthesis and structures of Ir3 Mg13-x Inx","Journal of Solid State Chemistry","2004","177","","1646","1650","","","","","","","","","","","","","","","","","","","","","","has coordinates","162677","2020-10-21","18:00:00",""
"1535367","18.582","","5.2308","","8.551","","90","","97.645","","90","","823.759","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Mg2.3 Ir2.7","","- Ir2.7 Mg2.3 -","- Ir2.7044 Mg2.2956 -","- Ir27.044 Mg22.956 -","10","1.25","","Hlukhyy, V.; Poettgen, R.","Mg(2+x) Ir(3-x) (x = 0.30) - a binary variant of the monoclinic V2 (Co0.57 Si0.43)3 type","Solid State Sciences","2004","6","","1175","1180","","","","","","","","","","","","","","","","","","","","","","has coordinates","162689","2020-10-21","18:00:00",""
"1535369","6.996","","6.996","","7.162","","90","","90","","90","","350.537","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Mg0.25 Ir In2.75","","- In2.75 Ir Mg0.25 -","- In2.748 Ir Mg0.252 -","- In10.992 Ir4 Mg1.008 -","4","0.25","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","68","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535372","6.997","","6.997","","7.131","","90","","90","","90","","349.12","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Mg0.62 Ir In2.38","","- In2.38 Ir Mg0.62 -","- In2.378 Ir Mg0.622 -","- In9.512 Ir4 Mg2.488 -","4","0.25","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","68","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535375","6.997","","6.997","","7.105","","90","","90","","90","","347.847","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Mg0.63 Ir In2.37","","- In2.37 Ir Mg0.63 -","- In2.366 Ir Mg0.634 -","- In9.464 Ir4 Mg2.536 -","4","0.25","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","68","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535377","7.006","","7.006","","7.091","","90","","90","","90","","348.055","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Mg0.73 Ir In2.27","","- In2.27 Ir Mg0.73 -","- In2.266 Ir Mg0.734 -","- In9.064 Ir4 Mg2.936 -","4","0.25","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","68","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535380","7.455","","8.377","","5.142","","90","","90","","90","","321.121","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mg0.92 Ir In2.08","","- In2.08 Ir Mg0.92 -","- In2.084 Ir Mg0.916 -","- In8.336 Ir4 Mg3.664 -","4","0.5","","Hlukhyy, V.; Poettgen, R.; Hoffmann, R.D.","The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x= 0.73 and the cementite structure with x= 0.92","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","68","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535394","5.22","","6.322","","6.789","","107.72","","109.21","","95.76","","196.459","","","","","","","","","","","","","3","P -1","-P 1","2","","In2 O (P O4)","","- In2 O5 P -","- In2 O5 P -","- In4 O10 P2 -","2","1","","Thauern, H.; Glaum, R.","Synthesis, Crystal Structure Determination and Vibrational Spectra of Indium(II) Indium(III) Oxidephosphate, (In2)4+(In3+)2 O2 (P O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2463","2467","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535434","3.9021","","12.9925","","10.8808","","90","","90","","90","","551.635","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Ir Ga2","","- Ga2 Ir -","- Ga2 Ir -","- Ga24 Ir12 -","12","0.75","","Bostroem, M.; Prots', Yu.M.; Grin', Yu.","Synthesis, crystal structure and chemical bonding of the novel compound Ir Ga2","Solid State Sciences","2004","6","","499","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535445","8.6085","","7.5822","","13.69","","90","","90","","90","","893.565","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu (Mo3 O10) (H2 O)","","- Cu H2 Mo3 O11 -","- Cu Mo3 O11 -","- Cu4 Mo12 O44 -","4","0.5","","Tian Chungui; Wang Enbo; Li Yangguang; Peng Jun; Hu Changwen; Xu Lin","A novel three-dimensional inorganic framework: hydrothermal synthesis and crystal structure of Cu Mo3 O10.H2 O","Journal of Solid State Chemistry","2004","177","","839","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535472","10.721","","7.033","","10.871","","90","","119.1","","90","","716.215","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na2 (Ru O4)","","- Na2 O4 Ru -","- Na2 O4 Ru -","- Na16 O32 Ru8 -","8","2","","Mogare, K.M.; Friese, K.; Klein, W.; Jansen, M.","Syntheses and crystal structures of two sodium ruthenates: Na2 Ru o4 and Na2 Ru O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","547","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535474","13.28","","21.868","","9.772","","90","","90","","90","","2837.86","","","","","","","","","","","","","3","C c m m","-C 2c 2c","63","","Rb4 P21 I","","- I P21 Rb4 -","- I P21 Rb4 -","- I4 P84 Rb16 -","4","0.25","","Hoenle, W.; von Schnering, H.G.; Peters, K.; Schmettow, W.; Chang Jenhui","The henicosaphosphide iodides of potassium and rubidium, K4 P21 I and Rb4 P21 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1858","1862","","","","","","","","","","","","","","","","","","","","","","has coordinates","209180","2020-10-21","18:00:00",""
"1535475","8.0681","","8.0681","","6.9497","","90","","90","","90","","452.385","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Hg K2 Se4 Sn -","- Hg K2 Se4 Sn -","- Hg2 K4 Se8 Sn2 -","2","0.125","","Brandmayer, M.K.; Clerac, R.; Weigend, F.; Dehnen, S.","Ortho-Chalcogenostannates as Ligands: Syntheses, Crystal Structures, Electronic Properties, and Magnetism of Novel Compounds Containing Ternary Anionic Substructures [M4(4-Se)(SnSe4)4]10- (M=Mn, Zn, Cd, Hg), {[Hg4(4-Se)(SnSe4)3]6-}, or {[HgSnSe4]2-}","Chemistry - A European Journal","2004","10","","5147","5157","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535478","12.853","","21.795","","9.748","","90","","90","","90","","2730.72","","","","","","","","","","","","","3","C c m m","-C 2c 2c","63","","K4 P21 I","","- I K4 P21 -","- I K4 P21 -","- I4 K16 P84 -","4","0.25","","Hoenle, W.; Schmettow, W.; Peters, K.; von Schnering, H.G.; Chang Jenhui","The henicosaphosphide iodides of potassium and rubidium, K4 P21 I and Rb4 P21 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1858","1862","","","","","","","","","","","","","","","","","","","","","","has coordinates","209180","2020-10-21","18:00:00",""
"1535483","16.4321","","16.4321","","16.4321","","90","","90","","90","","4436.9","","","","","","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","(Mg (H2 O)6) (B12 H12) (H2 O)6","","- B12 H36 Mg O12 -","- B12 H36 Mg O12 -","- B96 H288 Mg8 O96 -","8","0.0833333","","Tiritiris, I.; Schleid, T.","Synthese, Kristallstruktur und thermischer Abbau von Mg (H2 O)6 (B12 H12) * 6(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","541","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535499","7.344","","13.656","","10.483","","90","","102.04","","90","","1028.21","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Ca (Si2 O2 N2)","","- Ca N2 O2 Si2 -","- Ca N2 O2 Si2 -","- Ca12 N24 O24 Si24 -","12","6","","Hoeppe, H.A.; Stadler, F.; Oeckler, O.; Schnick, W.","Ca [Si2 O2 N2] - A Novel Layer Silicate","Angew. Chem. Int. ed.","2004","43","","5540","5542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535510","11.6155","","9.8735","","9.4178","","90","","90","","90","","1080.09","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba (V10 O15)","","- Ba O15 V10 -","- Ba O15 V10 -","- Ba4 O60 V40 -","4","0.5","","Bridges, C.A.; Greedan, J.E.","Phase transitions and electrical transport in the mixed-valence V(2+)/V(3+) oxide Ba V10 O15","Journal of Solid State Chemistry","2004","177","","1098","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535511","17.1325","","17.1325","","5.1058","","90","","90","","90","","1498.67","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Zr3 Mn4 Si6","","- Mn4 Si6 Zr3 -","- Mn4 Si6 Zr3 -","- Mn32 Si48 Zr24 -","8","0.5","","Tkachuk, A.V.; Crerar, S.J.; Mar, A.","Synthesis and structure of ternary transition-metal silicides Zr3 Mn4 Si6 and Hf3 Mn4 Si6","Journal of Solid State Chemistry","2004","177","","3939","3943","","","","","","","","","","","","","","","","","","","","","","has coordinates","162910","2020-10-21","18:00:00",""
"1535514","11.6322","","10.0022","","9.438","","90","","90","","90","","1098.09","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Ba Ti V9 O15","","- Ba O15 Ti V9 -","- Ba O15 Ti V9 -","- Ba4 O60 Ti4 V36 -","4","","","Bridges, C.A.; Greedan, J.E.; Kleinke, H.","Insights on the origin of the structural phase transition in BaV10O15 from electronic structure calculations and the effect of Ti-doping on its structure and electrical transport properties","Journal of Solid State Chemistry","2004","177","","4516","4527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535523","7.1748","","8.3356","","6.9855","","90","","90","","90","","417.777","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cu Hg S I","","- Cu Hg I S -","- Cu Hg I S -","- Cu4 Hg4 I4 S4 -","4","1","","Moro'oka, M.; Ohki, H.; Yamada, K.; Okuda, T.","The crystal structure, phase transition and electric conductivity of new quaternary chalcogenide halide Cu Hg S I","Journal of Solid State Chemistry","2004","177","","1401","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535544","9.624","","9.264","","10.592","","90","","104.161","","90","","915.651","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca (H F) (As F6)2","","- As2 Ca F13 H -","- As2 Ca F13 H -","- As8 Ca4 F52 H4 -","4","1","","Tramsek, M.; Benkic, P.","Calcium hexafluoroarsenates with metal coordinated HF molecules","Acta Chimica Slovenica","2004","51","","769","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535547","10.049","","14.987","","9.84","","90","","109.56","","90","","1396.43","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca (H F)6 (As F6)2","","- As2 Ca F18 H6 -","- As2 Ca F18 H6 -","- As8 Ca4 F72 H24 -","4","1","","Tramsek, M.; Benkic, P.","Calcium hexafluoroarsenates with metal coordinated HF molecules","Acta Chimica Slovenica","2004","51","","769","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535556","10.349","","10.017","","10.884","","90","","90","","90","","1128.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (As F3) (As F6)2","","- As3 Ca F15 -","- As3 Ca F15 -","- As12 Ca4 F60 -","4","0.5","","Tramsek, M.; Zemva, B.","Ca (As F3)(As F6)2: the first alkaline earth metal cation coordinated by As F3","Journal of Fluorine Chemistry","2004","125","","1919","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535601","7.818","","7.818","","30.174","","90","","90","","90","","1844.27","","","","","","","","","","","","","5","P 41","P 4w","76","","Rb4 Li H3 (Se O4)4","","- H3 Li O16 Rb4 Se4 -","- H3 Li O16 Rb4 Se4 -","- H12 Li4 O64 Rb16 Se16 -","4","1","","Troyanov, S.I.; Ling, C.D.; Snigireva, E.M.","X-ray and neutron diffraction studies of Rb4 Li H3 (X O4)4 (X = S, Se) single crystals","Kristallografiya","2004","49","","1066","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535602","18.214","","18.214","","18.214","","90","","90","","90","","6042.49","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ir36.22 Zn369.79 -","- Ir36.204 Zn369.912 -","- Ir36.204 Zn369.912 -","1","0.0104167","","Hornfeck, W.; Lee, S.; Thimmaiah, S.; Harbrecht, B.","Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)","Chemistry - A European Journal","2004","10","","4616","4626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535603","10.3776","","10.3776","","10.4322","","90","","90","","120","","972.972","","","","","","","","","","","","","6","P -3 1 m","-P 3 2","162","","(Zn (N H3)4)2 (Te8 (Re (C N))6)","","- C6 H24 N14 Re6 Te8 Zn2 -","- C6 N14 Re6 Te8 Zn2 -","- C6 N14 Re6 Te8 Zn2 -","1","0.0833333","","Brylev, K.A.; Naumov, N.G.; Sekar, P.; Fedorov, V.E.; Ibers, J.A.","Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)","Inorganica Chimica Acta","2004","357","","728","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","163024","2020-10-21","18:00:00",""
"1535604","7.6316","","7.6316","","29.5","","90","","90","","90","","1718.12","","","","","","","","","","","","","5","P 41","P 4w","76","","Rb4 Li H3 (S O4)4","","- H3 Li O16 Rb4 S4 -","- H3 Li O16 Rb4 S4 -","- H12 Li4 O64 Rb16 S16 -","4","1","","Troyanov, S.I.; Snigireva, E.M.; Ling, C.D.","X-ray and neutron diffraction studies of Rb4 Li H3 (X O4)4 (X = S, Se) single crystals","Kristallografiya","2004","49","","1066","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535605","18.224","","18.224","","18.224","","90","","90","","90","","6052.45","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ir38.35 Zn367.3 -","- Ir38.36 Zn367.048 -","- Ir38.36 Zn367.048 -","1","0.0104167","","Hornfeck, W.; Thimmaiah, S.; Harbrecht, B.; Lee, S.","Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)","Chemistry - A European Journal","2004","10","","4616","4626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535606","20.808","","22.027","","10.3708","","90","","110.958","","90","","4438.86","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(Co (N H3)5)2 (Te8 (Re (C N))6) (H2 O)4","","- C6 H38 Co2 N16 O4 Re6 Te8 -","- C6 H30 Co2 N16 O2 Re6 Te8 -","- C24 H120 Co8 N64 O8 Re24 Te32 -","4","0.5","","Brylev, K.A.; Sekar, P.; Fedorov, V.E.; Naumov, N.G.; Ibers, J.A.","Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)","Inorganica Chimica Acta","2004","357","","728","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","163028","2020-10-21","18:00:00",""
"1535607","18.224","","18.224","","18.224","","90","","90","","90","","6052.45","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ir43.96 Zn358.94 -","- Ir43.96 Zn358.944 -","- Ir43.96 Zn358.944 -","1","0.0104167","","Hornfeck, W.; Thimmaiah, S.; Lee, S.; Harbrecht, B.","Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)","Chemistry - A European Journal","2004","10","","4616","4626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535608","20.7617","","22.0521","","10.3526","","90","","110.692","","90","","4434.08","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(Ni (N H3)5)2 (Te8 (Re (C N))6) (H2 O)4","","- C6 H38 N16 Ni2 O4 Re6 Te8 -","- C6 H30 N16 Ni2 O2 Re6 Te8 -","- C24 H120 N64 Ni8 O8 Re24 Te32 -","4","0.5","","Brylev, K.A.; Fedorov, V.E.; Sekar, P.; Naumov, N.G.; Ibers, J.A.","Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)","Inorganica Chimica Acta","2004","357","","728","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","163031","2020-10-21","18:00:00",""
"1535613","13.7011","","9.0709","","7.0391","","90","","90","","90","","874.829","","","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","K2 (Pt (C N)4)","","- C4 K2 N4 Pt -","- C4 K2 N4 Pt -","- C16 K8 N16 Pt4 -","4","0.5","","Muehle, C.; Nuss, J.; Dinnebier, R.E.; Jansen, M.","Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und deren Monohydrate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1462","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535616","4.3303","","7.829","","13.2817","","90","","93.0688","","90","","449.629","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K2 (Pd (C N)4)","","- C4 K2 N4 Pd -","- C4 K2 N4 Pd -","- C8 K4 N8 Pd2 -","2","0.5","","Muehle, C.; Nuss, J.; Dinnebier, R.E.; Jansen, M.","Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und deren Monohydrate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1462","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535618","7.2148","","9.7677","","13.2644","","90","","90","","90","","934.769","","","","","","","","","","","","","6","P n n a","-P 2a 2bc","52","","K2 (Pd (C N)4) (H2 O)0.791","","- C4 H1.582 K2 N4 O0.791 Pd -","- C4 H1.582 K2 N4 O0.791 Pd -","- C16 H6.328 K8 N16 O3.164 Pd4 -","4","0.5","","Muehle, C.; Nuss, J.; Dinnebier, R.E.; Jansen, M.","Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und deren Monohydrate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1462","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535620","7.1579","","9.7791","","13.2246","","90","","90","","90","","925.693","","","","","","","","","","","","","6","P n n a","-P 2a 2bc","52","","K2 (Pt (C N)4) (H2 O)0.713","","- C4 H1.426 K2 N4 O0.713 Pt -","- C4 H1.426 K2 N4 O0.713 Pt -","- C16 H5.704 K8 N16 O2.852 Pt4 -","4","0.5","","Muehle, C.; Nuss, J.; Dinnebier, R.E.; Jansen, M.","Ueber Kaliumtetracyanoplatinat(II), Kaliumtetracyanopalladat(II) und deren Monohydrate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1462","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535639","10.0094","","10.0094","","3.9543","","90","","90","","120","","343.097","","","","","","","","","","","","","3","P -6","P -6","174","","Yb4.6 Pd9.4 P7","","- P7 Pd9.4 Yb4.6 -","- P7 Pd9.42 Yb4.58 -","- P7 Pd9.42 Yb4.58 -","1","0.166667","","Budnyk, S.; Prots', Yu.M.; Schmidt, M.; Schnelle, W.; Kuz'ma, Yu.B.; Grin', Yu.","Yb(2+3-x) Pd(12-3+x) P7 (x = 0.40): Different ytterbium species in a substituted structural motif of the Zr2 Fe12 P7 type","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1062","1067","","","","","","","","","","","","","","","","","","","","","","has coordinates","163078","2020-10-21","18:00:00",""
"1535659","5.3286","","9.1653","","14.7839","","90","","93.849","","90","","720.391","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 H4 In2 O16 P4 -","- Cs2 H4 In2 O16 P4 -","- Cs4 H8 In4 O32 P8 -","2","0.5","","Huang, Y.-X.; Li, M.-R.; Chen, H.-H.; Mi Jinxiao; Zhao, J.-T.","New Indium(III) Phosphate CsIn(PO3(OH))2 with a New Type of Structure","Wuji Huaxue Xuebao","2004","20","","1191","1196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535674","4.4043","","6.5007","","5.7517","","90","","105.438","","90","","158.735","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- B2 H6 -","- B2 H6 -","- B4 H12 -","2","0.5","","Huebschle, C.B.; Luger, P.; Messerschmidt, M.; Lentz, D.","Neubestimmung der Ladungsdichte und topologische Analyse von beta-Diboran bei 94 K","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1313","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535675","23.774","","23.774","","23.774","","90","","90","","90","","13437.1","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Na26 Mn39 O55","","- Mn39 Na26 O55 -","- Mn39 Na26 O55 -","- Mn312 Na208 O440 -","8","0.0416667","","Mueller, A.; Schittner, N.; Kataev, V.; Amann, P.","Das erste oxidische T5-Supertetraeder: Na26 Mn39 O55","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","890","894","","","","","","","","","","","","","","","","","","","","","","has coordinates","163115","2020-10-21","18:00:00",""
"1535680","8.77451","","8.77451","","10.1333","","90","","90","","120","","675.659","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sc3 (Sc0.295 Al0.705) O6","","- Al0.705 O6 Sc3.295 -","- Al0.705 O6 Sc3.295 -","- Al4.23 O36 Sc19.77 -","6","0.333333","","Mueller, D.; Assenmacher, W.; Mader, W.","Darstellung und Struktur von Sc3 (Sc0.31 Al0.69) O6 - einem neuen Abkoemmling des Mg3 Te O6-Strukturtyps","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2483","2489","","","","","","","","","","","","","","","","","","","","","","has coordinates","163122","2020-10-21","18:00:00",""
"1535687","12.9266","","4.3711","","8.8763","","90","","90","","90","","501.542","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Dy4 (B6 O14 (O H)2)","","- B6 Dy4 H2 O16 -","- B6 Dy4 O16 -","- B12 Dy8 O32 -","2","0.25","","Huppertz, H.","Multianvil high-pressure/high-temperatuer preparation, crystal structure, and properties of the new oxoborates Dy4 B6 O14 (O H)2 and Ho4 B6 O14 (O H)2","Journal of Solid State Chemistry","2004","177","","3700","3708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535691","12.9278","","4.362","","8.8713","","90","","90","","90","","500.262","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Ho4 (B6 O14 (O H)2)","","- B6 H2 Ho4 O16 -","- B6 Ho4 O16 -","- B12 Ho8 O32 -","2","0.25","","Huppertz, H.","Multianvil high-pressure/high-temperatuer preparation, crystal structure, and properties of the new oxoborates Dy4 B6 O14 (O H)2 and Ho4 B6 O14 (O H)2","Journal of Solid State Chemistry","2004","177","","3700","3708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535695","12.5188","","18.864","","41.075","","90","","97.45","","90","","9618.17","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","H100 O45 K17 (Ti2 Si W10 O39)4","","- H100 K17 O201 Si4 Ti8 W40 -","- K17 O201 Si4 Ti8 W40 -","- K34 O402 Si8 Ti16 W80 -","2","0.5","","Hussain, F.; Bassil, B.S.; Bi, L.H.; Reicke, M.; Kortz, U.","Structural Control on the Nanomolecular Scale: Self-Assembly of the Polyoxotungstate Wheel [{beta-Ti2SiW10O39}4]24-","Angew. Chem. Int. ed.","2004","43","","3485","3488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535703","7.49","","12.578","","18.306","","90","","98.653","","90","","1704.96","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K7.968 (Ga8.3 Sn7.7 Se32)","","- Ga8.3 K7.968 Se32 Sn7.7 -","- Ga8.296 K7.968 Se32 Sn7.704 -","- Ga8.296 K7.968 Se32 Sn7.704 -","1","0.25","","Hwang Seong-Ju; Iyer, R.G.; Kanatzidis, M.G.","Quaternary selenostannates Na(2-x) Ga(2-x) Sn(1+x) Se6 and A Ga Sn Se4 (A= K, Rb, and Cs) through rapid cooling of melts. Kinetics versus thermodynamics in the polymorphism of A Ga Sn Se4","Journal of Solid State Chemistry","2004","177","","3640","3649","","","","","","","","","","","","","","","","","","","","","","has coordinates","163150","2020-10-21","18:00:00",""
"1535706","13.308","","7.5935","","13.842","","90","","118.73","","90","","1226.59","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Na1.24 (Ga1.2 Sn0.81) Se4","","- Ga1.2 Na1.24 Se4 Sn0.81 -","- Ga1.202 Na1.24 Se4 Sn0.798 -","- Ga7.212 Na7.44 Se24 Sn4.788 -","6","1.5","","Hwang Seong-Ju; Iyer, R.G.; Kanatzidis, M.","Quaternary selenostannates Na(2-x) Ga(2-x) Sn(1+x) Se6 and A Ga Sn Se4 (A= K, Rb, and Cs) through rapid cooling of melts. Kinetics versus thermodynamics in the polymorphism of A Ga Sn Se4","Journal of Solid State Chemistry","2004","177","","3640","3649","","","","","","","","","","","","","","","","","","","","","","has coordinates","163155","2020-10-21","18:00:00",""
"1535709","7.5556","","12.637","","18.25","","90","","95.929","","90","","1733.19","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rb (Ga0.9445 Sn1.0555) Se4","","- Ga0.9445 Rb Se4 Sn1.0555 -","- Ga0.9445 Rb Se4 Sn1.0555 -","- Ga7.556 Rb8 Se32 Sn8.444 -","8","2","","Hwang Seong-Ju; Kanatzidis, M.; Iyer, R.G.","Quaternary selenostannates Na(2-x) Ga(2-x) Sn(1+x) Se6 and A Ga Sn Se4 (A= K, Rb, and Cs) through rapid cooling of melts. Kinetics versus thermodynamics in the polymorphism of A Ga Sn Se4","Journal of Solid State Chemistry","2004","177","","3640","3649","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535713","7.6785","","12.655","","18.278","","90","","90","","90","","1776.1","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Cs (Ga1.048 Sn0.952) Se4","","- Cs Ga1.048 Se4 Sn0.952 -","- Cs0.9865 Ga1.048 Se4 Sn0.952 -","- Cs7.892 Ga8.384 Se32 Sn7.616 -","8","1","","Hwang Seong-Ju; Kanatzidis, M.; Iyer, R.G.","Quaternary selenostannates Na(2-x) Ga(2-x) Sn(1+x) Se6 and A Ga Sn Se4 (A= K, Rb, and Cs) through rapid cooling of melts. Kinetics versus thermodynamics in the polymorphism of A Ga Sn Se4","Journal of Solid State Chemistry","2004","177","","3640","3649","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535717","8.186","","8.186","","6.403","","90","","90","","90","","429.069","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","K Ga (Sn Se4)","","- Ga K Se4 Sn -","- Ga K Se4 Sn -","- Ga4 K4 Se16 Sn4 -","4","0.125","","Hwang Seong-Ju; Iyer, R.G.; Kanatzidis, M.","Quaternary selenostannates Na(2-x) Ga(2-x) Sn(1+x) Se6 and A Ga Sn Se4 (A=K, Rb, and Cs) through rapid cooling of melts. Kinetics versus thermodynamics in the polymorphism of A Ga Sn Se4","Journal of Solid State Chemistry","2004","177","","3640","3649","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535747","4.851","","7.407","","7.946","","97.47","","90.67","","91.88","","282.898","","","","","","","","","","","","","4","P -1","-P 1","2","","(F5 S) (N C S)","","- C F5 N S2 -","- C F5 N S2 -","- C2 F10 N2 S4 -","2","1","","Buschmann, J.; Lentz, D.; Thrasher, J.S.; Perpetuo, G.; Preugschat, D.; Willner, H.; Luger, P.; Woelk, H.J.","Crystal and molecular structures of the pentafluorosulfanyl compounds, S F5 X (X = -N C, -C N, -N C S and -N C Cl2) by x-ray diffraction at low temperature","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1136","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535751","9.494","","5.848","","8.391","","90","","90","","90","","465.876","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(F5 S) (C N)","","- C F5 N S -","- C F5 N S -","- C4 F20 N4 S4 -","4","0.5","","Buschmann, J.; Lentz, D.; Preugschat, D.; Luger, P.; Thrasher, J.S.; Perpetuo, G.; Willner, H.; Woelk, H.J.","Crystal and molecular structures of the pentafluorosulfanyl compounds, S F5 X (X = -N C, -C N, -N C S and -N C Cl2) by x-ray diffraction at low temperature","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1136","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535758","5.097","","9.525","","10.472","","73.27","","84.84","","84.94","","483.876","","","","","","","","","","","","","5","P -1","-P 1","2","","(F5 S) (N C O)","","- C F5 N O S -","- C F5 N O S -","- C4 F20 N4 O4 S4 -","4","2","","Buschmann, J.; Lentz, D.; Willner, H.; Luger, P.; Preugschat, D.; Thrasher, J.S.; Perpetuo, G.; Woelk, H.J.","Crystal and molecular structures of the pentafluorosulfanyl compounds, S F5 X (X = -N C, -C N, -N C S and -N C Cl2) by x-ray diffraction at low temperature","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1136","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535882","5.6065","","5.6065","","13.642","","90","","90","","120","","371.358","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K3 Sc Si2 O7","","- K3 O7 Sc Si2 -","- K3 O7 Sc Si2 -","- K6 O14 Sc2 Si4 -","2","0.0833333","","Napper, J. D.; Layland, R. C.; Smith, M. D.; zur Loye, H. C.","Crystal Growth and Structure Determination of the New Silicate K~3~ScSi~2~O~7~","Journal of Chemical Crystallography","2004","34","6","347","351","10.1023/B:JOCC.0000028666.53348.fc","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535891","10.281","","10.5091","","17.802","","98.068","","97.684","","105.823","","1802.1","","","","","","","","","","","","","7","P -1","-P 1","2","","((F5 Te O Xe) (S O2 Cl F))(Sb (O Te F5)6)","","- Cl F36 O9 S Sb Te7 Xe -","- Cl F36 O9 S Sb Te7 Xe -","- Cl2 F72 O18 S2 Sb2 Te14 Xe2 -","2","1","","Ulferts, P.; Seppelt, K.","The crystal structure of ((F5 Te O Xe)(+) . S O2 Cl F) (Sb (O Te F5)6(-))","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1589","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535892","8.873","","12.946","","4.273","","90","","90","","90","","490.839","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","(C2) Ge2 La5","","- C2 Ge2 La5 -","- C2 Ge2 La5 -","- C4 Ge4 La10 -","2","0.25","","Carillo-Cabrera, W.; Peters, K.; Curda, J.; Kohout, M.; von Schnering, H.G.","Pentalanthanum ethenide(4-) digermanide(4-), La5 (C2) Ge2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2186","2190","","","","","","","","","","","","","","","","","","","","","","has coordinates","163392","2020-10-21","18:00:00",""
"1535932","6.329","","6.329","","10.15","","90","","90","","120","","352.101","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","Ca Ba Zn2.155 Fe0.735 Al1.11 O7","","- Al1.11 Ba Ca Fe0.735 O7 Zn2.155 -","- Al1.111 Ba Ca Fe0.735 O7 Zn2.15457 -","- Al2.222 Ba2 Ca2 Fe1.47 O14 Zn4.30914 -","2","0.166667","","Valldor, M.","Syntheses and structures of compounds with the YBaCo4O7-type structure","Solid State Sciences","2004","6","","251","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535936","6.3331","","6.3331","","10.1964","","90","","90","","120","","354.169","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","Ca Ba Co2.208 Zn1.632 Al0.16 O7","","- Al0.16 Ba Ca Co2.208 O7 Zn1.632 -","- Al0.16 Ba Ca Co2.208 O7 Zn1.632 -","- Al0.32 Ba2 Ca2 Co4.416 O14 Zn3.264 -","2","0.166667","","Valldor, M.","Syntheses and structures of compounds with the Y Ba Co4 O7-type structure","Solid State Sciences","2004","6","","251","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535937","9.764","","9.764","","6.875","","90","","90","","90","","655.433","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(Pt (N H3)4) (Pt I4)","","- H12 I4 N4 Pt2 -","- H12 I4 N4 Pt2 -","- H24 I8 N8 Pt4 -","2","0.125","","Casas, J.S.; Sanchez-Gonzalez, A.; Romero, Y.; Parajo, Y.; Sordo, J.; Vazquez-Lopez, E.M.","The crystal structure of (Pt (N H3)4) (Pt I4): Comparison with Magnus green salt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","980","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","163445","2020-10-21","18:00:00",""
"1535941","14.662","","14.662","","14.662","","90","","90","","90","","3151.95","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Na0.5 Pb1.75 (Ge Se4)","","- Ge Na0.5 Pb1.75 Se4 -","- Ge Na0.5025 Pb1.755 Se4 -","- Ge16 Na8.04 Pb28.08 Se64 -","16","0.333333","","Iyer, R.G.; Kanatzidis, M.G.; Aitken, J.A.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A = Ag, Cu, Na; M = Pb, Eu; Q = S, Se)","Solid State Sciences","2004","6","","451","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535944","13.8145","","13.8145","","13.8145","","90","","90","","90","","2636.36","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Cu0.5 Pb1.75 (Ge S4)","","- Cu0.5 Ge Pb1.75 S4 -","- Cu0.5025 Ge Pb1.755 S4 -","- Cu8.04 Ge16 Pb28.08 S64 -","16","0.333333","","Iyer, R.G.; Aitken, J.A.; Kanatzidis, M.G.","Noncentrosymmetric cubic thio- and selenogermanates: A0.5 M1.75 Ge Q4 (A= Ag, Cu, Na; M= Pb, Eu; Q= S, Se)","Solid State Sciences","2004","6","","451","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535961","6.676","","6.6662","","9.4263","","90","","90","","90","","419.504","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ca3 Si O","","- Ca3 O Si -","- Ca3 O Si -","- Ca12 O4 Si4 -","4","0.5","","Velden, A.; Jansen, M.","Zur Kenntnis der inversen Perowskite M3 T O (M = Ca, Sr, Yb; T = Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535964","19.153","","6.141","","13.92","","90","","118.24","","90","","1442.37","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Cl (Cs Cl)2) (Cr Cl2 (H2 O)4)","","- Cl5 Cr Cs2 H8 O4 -","- Cl5 Cr Cs2 H8 O4 -","- Cl20 Cr4 Cs8 H32 O16 -","4","0.5","","Neumann, E.; Engelen, B.; Stefov, V.; Soptrajanov, B.; Lutz, H.D.","Crystal structure and infrared spectra of dicesium trans-tetraaquadichlorochromium(III) chloride","Journal of Molecular Structure","2004","708","","105","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535965","6.6808","","6.6888","","9.4511","","90","","90","","90","","422.337","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Ca3 Ge O -","- Ca3 Ge O -","- Ca12 Ge4 O4 -","4","0.5","","Velden, A.; Jansen, M.","Zur Kenntnis der inversen Perowskite M3 T O (M = Ca, Sr, Yb; T = Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535969","7.1249","","7.1165","","10.0739","","90","","90","","90","","510.791","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sr3 Si O","","- O Si Sr3 -","- O Si Sr3 -","- O4 Si4 Sr12 -","4","0.5","","Velden, A.; Jansen, M.","Zur Kenntnis der inversen Perowskite M3 T O (M = Ca, Sr, Yb; T = Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535973","7.1447","","7.1326","","10.0972","","90","","90","","90","","514.556","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sr3 Ge O","","- Ge O Sr3 -","- Ge O Sr3 -","- Ge4 O4 Sr12 -","4","0.5","","Velden, A.; Jansen, M.","Zur Kenntnis der inversen Perowskite M3 T O (M = Ca, Sr, Yb; T = Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535976","6.6927","","6.6838","","9.4813","","90","","90","","90","","424.124","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Yb3 Si O","","- O Si Yb3 -","- O Si Yb3 -","- O4 Si4 Yb12 -","4","0.5","","Velden, A.; Jansen, M.","Zur Kenntnis der inversen Perowskite M3 T O (M = Ca, Sr, Yb; T = Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535979","6.7203","","6.7083","","9.5128","","90","","90","","90","","428.854","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Yb3 Ge O","","- Ge O Yb3 -","- Ge O Yb3 -","- Ge4 O4 Yb12 -","4","0.5","","Velden, A.; Jansen, M.","Zur Kenntnis der inversen Perowskite M3 T O (M = Ca, Sr, Yb; T = Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535981","4.83683","","4.83683","","4.83683","","90","","90","","90","","113.157","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Yb3 Sn O","","- O Sn Yb3 -","- O Sn Yb3 -","- O Sn Yb3 -","1","0.0208333","","Velden, A.; Jansen, M.","Zur Kenntnis der inversen Perowskite M3 T O (M = Ca, Sr, Yb; T = Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535983","4.85867","","4.85867","","4.85867","","90","","90","","90","","114.697","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Yb3 Pb O","","- O Pb Yb3 -","- O Pb Yb3 -","- O Pb Yb3 -","1","0.0208333","","Velden, A.; Jansen, M.","Zur Kenntnis der inversen Perowskite M3 T O (M = Ca, Sr, Yb; T = Si, Ge, Sn, Pb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","234","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535984","4.281","","4.281","","16.383","","90","","90","","120","","260.025","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Y1.357 Pt4 Al9.99","","- Al9.99 Pt4 Y1.357 -","- Al9.986 Pt4 Y1.3572 -","- Al9.986 Pt4 Y1.3572 -","1","0.0416667","","Niermann, J.; Jeitschko, W.","Ternary aluminides with the ideal composition A2 Pt6 Al15 (A= Y, Gd-Tm, Zr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","163518","2020-10-21","18:00:00",""
"1535985","4.261","","4.261","","16.2284","","90","","90","","120","","255.17","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Zr Pt4 Al10.22","","- Al10.22 Pt4 Zr -","- Al10.22 Pt4 Zr1.004 -","- Al10.22 Pt4 Zr1.004 -","1","0.0416667","","Niermann, J.; Jeitschko, W.","Ternary aluminides with the ideal composition A2 Pt6 Al15 (A= Y, Gd-Tm, Zr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","361","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536000","7.6149","","7.6149","","15.3472","","90","","90","","90","","889.934","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sm0.33 Sr0.67 (Co O2.8)","","- Co O2.8 Sm0.33 Sr0.67 -","- Co O2.8 Sm0.335 Sr0.665 -","- Co16 O44.8 Sm5.36 Sr10.64 -","16","0.5","","James, M.; Cassidy, D.; Goossens, D.J.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536001","8.761","","11.957","","13.858","","90","","90","","90","","1451.7","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(Cu Br)2 P8 Se3","","- Br2 Cu2 P8 Se3 -","- Br2 Cu2 P8 Se3 -","- Br8 Cu8 P32 Se12 -","4","0.5","","Nilges, S.; Nilges, T.; Pfitzner, A.; Haeuseler, H.","(Cu Br)2 P8 Se3: preparation, structural, and vibrational sprectroscopic characterization of an adduct of P8 Se3 cages to Cu2 Br2 rhombs","Journal of Molecular Structure","2004","706","","89","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","163554","2020-10-21","18:00:00",""
"1536003","7.6724","","7.6724","","15.3983","","90","","90","","90","","906.432","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sm0.2 Sr0.8 (Co O2.79)","","- Co O2.79 Sm0.2 Sr0.8 -","- Co O2.79 Sm0.2 Sr0.8 -","- Co16 O44.64 Sm3.2 Sr12.8 -","16","0.5","","James, M.; Cassidy, D.; Goossens, D.J.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536007","7.6968","","7.6968","","15.4672","","90","","90","","90","","916.288","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sm0.1 Sr0.9 (Co O2.76)","","- Co O2.76 Sm0.1 Sr0.9 -","- Co O2.76 Sm0.1 Sr0.9 -","- Co16 O44.16 Sm1.6 Sr14.4 -","16","0.5","","James, M.; Goossens, D.J.; Cassidy, D.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536008","9.679","","11.926","","30.691","","90","","90","","90","","3542.72","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Zn3 (Zn (H2 O)6) (H P O3)4","","- H16 O18 P4 Zn4 -","- H12 O18 P4 Zn4 -","- H96 O144 P32 Zn32 -","8","0.25","","Chen Wenbin; Xiang Shouhe; Li Niu","Zn3 (H P O3)4.Zn (H2 O)6: a purely inorganic open-framework zincophosphite with octahedral zinc complex (Zn (H2 O)6)(2+) encapsulating in the channels","Journal of Solid State Chemistry","2004","177","","3229","3234","","","","","","","","","","","","","","","","","","","","","","has coordinates","163562","2020-10-21","18:00:00",""
"1536010","7.6228","","7.6228","","15.3733","","90","","90","","90","","893.298","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Gd0.33 Sr0.67 (Co O2.82)","","- Co Gd0.33 O2.82 Sr0.67 -","- Co Gd0.335 O2.82 Sr0.665 -","- Co16 Gd5.36 O45.12 Sr10.64 -","16","0.5","","James, M.; Cassidy, D.; Goossens, D.J.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536011","7.905","","16.149","","6.158","","90","","90.49","","90","","786.088","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ba2 Zn V2 O8","","- Ba2 O8 V2 Zn -","- Ba2 O8 V2 Zn -","- Ba8 O32 V8 Zn4 -","4","1","","Chen, D.-G.; Cheng, W.-D.; Gong, Y.-J.; Wu, D.-S.; Zhang, H.; Zhang, Y.-C.; Kan, Z.-G.","Synthesis, band structure, and optical properties of Ba2 Zn V2 O8","Journal of Solid State Chemistry","2004","177","","3927","3933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536013","7.672","","7.672","","15.4232","","90","","90","","90","","907.803","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Gd0.2 Sr0.8 (Co O2.72)","","- Co Gd0.2 O2.72 Sr0.8 -","- Co Gd0.2 O2.72 Sr0.8 -","- Co16 Gd3.2 O43.52 Sr12.8 -","16","0.5","","James, M.; Goossens, D.J.; Cassidy, D.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536015","7.69","","7.69","","15.421","","90","","90","","90","","911.938","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Gd0.1 Sr0.9 (Co O2.76)","","- Co Gd0.1 O2.76 Sr0.9 -","- Co Gd0.1 O2.76 Sr0.9 -","- Co16 Gd1.6 O44.16 Sr14.4 -","16","0.5","","James, M.; Cassidy, D.; Goossens, D.J.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536018","7.6688","","7.6688","","15.3888","","90","","90","","90","","905.023","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dy0.2 Sr0.8 (Co O2.71)","","- Co Dy0.2 O2.71 Sr0.8 -","- Co Dy0.2 O2.71 Sr0.8 -","- Co16 Dy3.2 O43.36 Sr12.8 -","16","0.5","","James, M.; Cassidy, D.; Withers, R.L.; Goossens, D.J.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536022","7.6971","","7.6971","","15.4237","","90","","90","","90","","913.782","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dy0.1 Sr0.9 (Co O2.79)","","- Co Dy0.1 O2.79 Sr0.9 -","- Co Dy0.1 O2.79 Sr0.9 -","- Co16 Dy1.6 O44.64 Sr14.4 -","16","0.5","","James, M.; Goossens, D.J.; Cassidy, D.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536026","7.6637","","7.6637","","15.3761","","90","","90","","90","","903.074","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Y0.2 Sr0.8 (Co O2.69)","","- Co O2.69 Sr0.8 Y0.2 -","- Co O2.69 Sr0.8 Y0.2 -","- Co16 O43.04 Sr12.8 Y3.2 -","16","0.5","","James, M.; Goossens, D.J.; Cassidy, D.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536029","7.6918","","7.6918","","15.4099","","90","","90","","90","","911.708","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Y0.1 Sr0.9 (Co O2.77)","","- Co O2.77 Sr0.9 Y0.1 -","- Co O2.77 Sr0.9 Y0.1 -","- Co16 O44.32 Sr14.4 Y1.6 -","16","0.5","","James, M.; Withers, R.L.; Cassidy, D.; Goossens, D.J.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536032","7.6676","","7.6676","","15.3844","","90","","90","","90","","904.481","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ho0.2 Sr0.8 (Co O2.75)","","- Co Ho0.2 O2.75 Sr0.8 -","- Co Ho0.2 O2.75 Sr0.8 -","- Co16 Ho3.2 O44 Sr12.8 -","16","0.5","","James, M.; Goossens, D.J.; Cassidy, D.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536035","7.6895","","7.6895","","15.4008","","90","","90","","90","","910.625","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ho0.1 Sr0.9 (Co O2.79)","","- Co Ho0.1 O2.79 Sr0.9 -","- Co Ho0.1 O2.79 Sr0.9 -","- Co16 Ho1.6 O44.64 Sr14.4 -","16","0.5","","James, M.; Cassidy, D.; Goossens, D.J.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536038","7.6812","","7.6812","","15.3755","","90","","90","","90","","907.167","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Er0.1 Sr0.9 (Co O2.78)","","- Co Er0.1 O2.78 Sr0.9 -","- Co Er0.1 O2.78 Sr0.9 -","- Co16 Er1.6 O44.48 Sr14.4 -","16","0.5","","James, M.; Cassidy, D.; Goossens, D.J.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536041","7.6643","","7.6643","","15.373","","90","","90","","90","","903.033","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Tm0.2 Sr0.8 (Co O2.73)","","- Co O2.73 Sr0.8 Tm0.2 -","- Co O2.73 Sr0.8 Tm0.2 -","- Co16 O43.68 Sr12.8 Tm3.2 -","16","0.5","","James, M.; Goossens, D.J.; Cassidy, D.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536044","7.6965","","7.6965","","15.4031","","90","","90","","90","","912.42","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Tm0.1 Sr0.9 (Co O2.81)","","- Co O2.81 Sr0.9 Tm0.1 -","- Co O2.81 Sr0.9 Tm0.1 -","- Co16 O44.96 Sr14.4 Tm1.6 -","16","0.5","","James, M.; Cassidy, D.; Withers, R.L.; Goossens, D.J.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536046","7.6813","","7.6813","","15.3706","","90","","90","","90","","906.902","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Yb0.1 Sr0.9 (Co O2.78)","","- Co O2.78 Sr0.9 Yb0.1 -","- Co O2.78 Sr0.9 Yb0.1 -","- Co16 O44.48 Sr14.4 Yb1.6 -","16","0.5","","James, M.; Cassidy, D.; Goossens, D.J.; Withers, R.L.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536048","6.5752","","11.09","","12.296","","79.692","","85.088","","87.395","","878.485","","","","","","","","","","","","","5","P -1","-P 1","2","","(Ru (N O) (N H3)3 (N O2)) (O H) Cl (H2 O)0.5","","- Cl H11 N5 O4.5 Ru -","- Cl H11 N5 O4.5 Ru -","- Cl4 H44 N20 O18 Ru4 -","4","2","","Emel'yanov, V.A.; Baidina, I.A.; Gromilov, S.A.","The synthesis and crystal structure of nitrosoruthenium(II) nitritriamminecomplex (Ru N O (N H3)3 (N O2)) Cl 0.5(H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","923","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1536050","3.8338","","3.8338","","7.6845","","90","","90","","90","","112.947","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Y0.05 Sr0.95 (Co O2.79)","","- Co O2.79 Sr0.95 Y0.05 -","- Co O2.79 Sr0.95 Y0.05 -","- Co2 O5.58 Sr1.9 Y0.1 -","2","0.125","","James, M.; Withers, R.L.; Goossens, D.J.; Cassidy, D.","The phase diagram and tetragonal superstructures of the rare earth cobaltate phases Ln1-x Srx Co O3-d (Ln = La(3+), Pr(3+), Nd(3+), Sm(3+), Gd(3+), Y(3+), Ho(3+), Dy(3+), Er(3+), Tm(3+) and Yb(3+))","Journal of Solid State Chemistry","2004","177","","1886","1895","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536064","12.463","","14.849","","16.772","","95.37","","94.65","","106.76","","2939.92","","","","","","","","","","","","","5","P -1","-P 1","2","","Er4 K2 (Si W11 O39)2 O39","","- Er4 K2 O117 Si2 W22 -","- Er4 K2 O117 Si2 W22 -","- Er4 K2 O117 Si2 W22 -","1","0.5","","Niu, J.; Zhao, J.; Wang, J.","Synthesis, characterization and crystal structure of a ErIII mono-substituted [-Si W11 O39]8- polyoxotungstate containing one-dimensional zigzag chainlike structure","Journal of Molecular Structure","2004","701","","19","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","163646","2020-10-21","18:00:00",""
"1536091","10.457","","10.457","","10.457","","90","","90","","90","","1143.46","","","","","","","","","","","","","2","P -4 3 n","P -4n 2 3","218","","Te16 Si38","","- Si38 Te16 -","- Si38 Te16 -","- Si38 Te16 -","1","0.0416667","","Jaussaud, N.; Toulemonde, P.; Pechev, S.; Pouchard, M.; Gravereau, P.; San Miguel, A.; Goglio, G.; Cros, C.","High pressure synthesis and crystal structure of two forms of a new tellurium-silicon clathrate related to the classical type I","Solid State Sciences","2004","6","","401","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","163687","2020-10-21","18:00:00",""
"1536104","10.4363","","18.1227","","19.5102","","90","","101.223","","90","","3619.48","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs4.03 Nb6 F8.582 I9.418","","- Cs4.03 F8.582 I9.418 Nb6 -","- Cs4.03 F8.582 I9.418 Nb6 -","- Cs16.12 F34.328 I37.672 Nb24 -","4","0.5","","Cordier, S.; Perrin, C.","The novel Cs4 Nb6 F(i)8.5 I(i)3.5 I(a)6 octahedral niobium cluster fluoro-iodide: A step towards the Nb6 F(i)12 cluster core excision","Journal of Solid State Chemistry","2004","177","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","163704","2020-10-21","18:00:00",""
"1536122","8.889","","19.018","","17.112","","90","","104.59","","90","","2799.52","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Na4 (Co ((P O2 N H)3)2) (H2 O)12","","- Co H30 N6 Na4 O24 P6 -","- Co H24 N6 Na4 O24 P6 -","- Co4 H96 N24 Na16 O96 P24 -","4","0.5","","Correll, S.; Stock, N.; Schnick, W.","Synthesis, crystal structures and properties of the bis-(trimetaphosphimato)-metallates Na4 (Co ((P O2 N)3)2).12H2 O and Na4 (Ni ((P O2 N H)3)2).12H2 O","Solid State Sciences","2004","6","","953","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536130","8.944","","18.906","","17.236","","90","","104.49","","90","","2821.82","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Na4 (Ni ((P O2 N H)3)2) (H2 O)12","","- H30 N6 Na4 Ni O24 P6 -","- H24 N6 Na4 Ni O24 P6 -","- H96 N24 Na16 Ni4 O96 P24 -","4","0.5","","Correll, S.; Stock, N.; Schnick, W.","Synthesis, crystal structures and properties of the bis-(trimetaphosphimato)-metallates Na4 (Co ((P O2 N)3)2).12H2 O and Na4 (Ni ((P O2 N H)3)2).12H2 O","Solid State Sciences","2004","6","","953","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536144","4.766","","14.263","","8.235","","90","","90","","90","","559.794","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li6.48 H9.2 P12 N24 Cl3.68","","- Cl3.68 H9.2 Li6.48 N24 P12 -","- Cl3.68 Li6.48 N24 P12 -","- Cl3.68 Li6.48 N24 P12 -","1","0.25","","Correll, S.; Stock, N.; Schnick, W.; Nilges, T.; Oeckler, O.; Senker, J.","Li(x) H(12-x-y+z) (P12 O(y) N(24-y))X(z) (X = Cl, Br) - Oxonitridophosphate mit NPO-Zeolithstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2205","2217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536187","10.297","","10.297","","9.228","","90","","90","","90","","978.428","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Ce9 Sb5 O5","","- Ce9 O5 Sb5 -","- Ce9 O5 Sb5 -","- Ce18 O10 Sb10 -","2","0.25","","Nuss, J.; von Schnering, H.G.; Grin', Yu.","Ueber die Antimonidoxide La9 Sb5 O5 und Ce9 Sb5 O5 sowie die binaeren Phasen La2 Sb und Ce2 Sb","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2287","2291","","","","","","","","","","","","","","","","","","","","","","has coordinates","163813","2020-10-21","18:00:00",""
"1536190","10.415","","10.415","","9.34","","90","","90","","90","","1013.13","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","La9 Sb5 O5","","- La9 O5 Sb5 -","- La9 O5 Sb5 -","- La18 O10 Sb10 -","2","0.25","","Nuss, J.; von Schnering, H.G.; Grin', Yu.","Ueber die Antimonidoxide La9 Sb5 O5 und Ce9 Sb5 O5 sowie die binaeren Phasen La2 Sb und Ce2 Sb","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2287","2291","","","","","","","","","","","","","","","","","","","","","","has coordinates","163817","2020-10-21","18:00:00",""
"1536193","17.147","","6.458","","6.488","","90","","90","","90","","718.451","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd8 Sn24 -","- Pd8 Sn24 -","- Pd8 Sn24 -","1","","","Nylen, J.; Haeussermann, U.; Mosel, B.D.; Garcia-Garcia, F.J.; Poettgen, R.","Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4)","Solid State Sciences","2004","6","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536194","6.085","","10.56","","6.835","","90","","106.97","","90","","420.077","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Mg2 (P2 S6)","","- Mg2 P2 S6 -","- Mg1.964 P2.054 S6 -","- Mg3.928 P4.108 S12 -","2","0.25","","Joergens, S.; Mewis, A.","Die Kristallstrukturen von Hexachalcogeno-Hypodiphosphaten des Magnesiums und Zinks","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","163822","2020-10-21","18:00:00",""
"1536196","6.4417","","11.4452","","6.3886","","90","","90","","90","","471.009","","","","","","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","","","- Pd4 Sn16 -","- Pd4 Sn16 -","- Pd4 Sn16 -","1","0.0625","","Nylen, J.; Mosel, B.D.; Garcia-Garcia, F.J.; Poettgen, R.; Haeussermann, U.","Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4)","Solid State Sciences","2004","6","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536197","6.404","","6.404","","20.194","","90","","90","","120","","717.225","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Mg2 (P2 Se6)","","- Mg2 P2 Se6 -","- Mg2 P2 Se6 -","- Mg6 P6 Se18 -","3","0.166667","","Joergens, S.; Mewis, A.","Die Kristallstrukturen von Hexachalcogeno-Hypodiphosphaten des Magnesiums und Zinks","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","163826","2020-10-21","18:00:00",""
"1536200","6.4906","","6.4906","","24.353","","90","","90","","90","","1025.94","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- Pd16 Sn32 -","- Pd16 Sn32 -","- Pd16 Sn32 -","1","0.03125","","Nylen, J.; Garcia-Garcia, F.J.; Mosel, B.D.; Poettgen, R.; Haeussermann, U.","Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4)","Solid State Sciences","2004","6","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536201","6.29","","6.29","","19.93","","90","","90","","120","","682.872","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Zn2 (P2 Se6)","","- P2 Se6 Zn2 -","- P2 Se6 Zn1.999 -","- P6 Se18 Zn5.997 -","3","0.166667","","Joergens, S.; Mewis, A.","Die Kristallstrukturen von Hexachalcogeno-Hypodiphosphaten des Magnesiums und Zinks","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","163831","2020-10-21","18:00:00",""
"1536203","20.5185","","20.5185","","20.5185","","90","","90","","90","","8638.47","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Na64 (Si Nb12 O40)4 (H2 O)16","","- H32 Na64 Nb48 O176 Si4 -","- Na64 Nb48 O176 Si4 -","- Na128 Nb96 O352 Si8 -","2","0.0833333","","Nyman, M.; Bonhomme, F.; Parise, J.B.; Vaughan, G.M.B.; Alam, T.M.","[SiNb12O40]16- and [GeNb12O40]16-: Highly Charged Keggin Ions with Sticky Surfaces","Angew. Chem. Int. ed.","2004","43","","2787","2792","","","","","","","","","","","","","","","","","","","","","","has coordinates","163833","2020-10-21","18:00:00",""
"1536204","6.546","","12.724","","7.599","","90","","103.02","","90","","616.659","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","K2 Mg (P2 Se6)","","- K2 Mg P2 Se6 -","- K2 Mg P2 Se6 -","- K4 Mg2 P4 Se12 -","2","0.5","","Joergens, S.; Mewis, A.","Die Kristallstrukturen von Hexachalcogeno-Hypodiphosphaten des Magnesiums und Zinks","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","51","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536205","14.37","","17.113","","24.764","","74.33","","77.2","","65.29","","5285.34","","","","","","","","","","","","","6","P -1","-P 1","2","","Na3 H2 (Ce3 (H2 O)18 Bi2 W22 O76) (H2 O)23","","- Bi2 Ce3 H84 Na3 O117 W22 -","- Bi2 Ce3 Na3 O117 W22 -","- Bi4 Ce6 Na6 O234 W44 -","2","1","","Wang, Y.-J.; Sun, Q.-Z.; Huang, C.C.; Zhang, H.-H.; Yu, X.-H.; Sun, R.-Q.","Synthesis and Crystal Structure of the Heteropolymate Compound Na3H2(Ce3(H2O)18Bi2W22O76)23H2O","Jiegon Huaxue","2004","23","","902","907","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536214","4.9115","","10.3167","","14.1073","","90","","90","","90","","714.824","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs (H Si3 O7)","","- Cs H O7 Si3 -","- Cs H O7 Si3 -","- Cs4 H4 O28 Si12 -","4","1","","Wang, X.; Liu, L.; Huang, J.; Jacobson, A.J.","Synthesis, structure and properties of Cs H Si3 O7, a layered silicate with a chiral structure","Journal of Solid State Chemistry","2004","177","","2499","2505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536217","5.041","","10.507","","13.924","","90","","90","","90","","737.496","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H2 (Si3 O7) (H2 O)","","- H4 O8 Si3 -","- O8 Si3 -","- O32 Si12 -","4","1","","Wang, X.; Jacobson, A.J.; Huang, J.; Liu, L.","Synthesis, structure and properties of Cs H Si3 O7, a layered silicate with a chiral structure","Journal of Solid State Chemistry","2004","177","","2499","2505","","","","","","","","","","","","","","","","","","","","","","has coordinates","163851","2020-10-21","18:00:00",""
"1536222","17.5077","","17.5077","","17.5077","","90","","90","","90","","5366.45","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Te32 Ni33.396 O90 Br14.79","","- Br14.79 Ni33.396 O90 Te32 -","- Br14.789 Ni33.396 O90 Te32 -","- Br29.578 Ni66.792 O180 Te64 -","2","0.0416667","","Johnsson, M.; Toernroos, K.W.; Lidin, S.; Millet, P.; Buergi, H.B.","Host-guest compounds in the family of tellurium-nickel oxohalogenides","Angew. Chem. Int. ed.","2004","43","","4292","4295","","","","","","","","","","","","","","","","","","","","","","has coordinates","163857","2020-10-21","18:00:00",""
"1536226","17.4549","","17.4549","","17.4549","","90","","90","","90","","5318.05","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Te31.988 Ni33.1 O90 Cl14.214","","- Cl14.214 Ni33.1 O90 Te31.988 -","- Cl14.214 Ni33.1056 O90 Te31.988 -","- Cl28.428 Ni66.2112 O180 Te63.976 -","2","0.0416667","","Johnsson, M.; Lidin, S.; Toernroos, K.W.; Buergi, H.B.; Millet, P.","Host-guest compounds in the family of tellurium-nickel oxohalogenides","Angew. Chem. Int. ed.","2004","43","","4292","4295","","","","","","","","","","","","","","","","","","","","","","has coordinates","163861","2020-10-21","18:00:00",""
"1536230","17.5443","","17.5443","","17.5443","","90","","90","","90","","5400.18","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Te32 Ni34.48 O90 Cl18.45","","- Cl18.45 Ni34.48 O90 Te32 -","- Cl18.4514 Ni34.4832 O90 Te32.0012 -","- Cl36.9028 Ni68.9664 O180 Te64.0024 -","2","0.0416667","","Johnsson, M.; Lidin, S.; Toernroos, K.W.; Millet, P.; Buergi, H.B.","Host-guest compounds in the family of tellurium-nickel oxohalogenides","Angew. Chem. Int. ed.","2004","43","","4292","4295","","","","","","","","","","","","","","","","","","","","","","has coordinates","163865","2020-10-21","18:00:00",""
"1536237","5.4717","","9.0636","","17.6586","","90","","94.519","","90","","873.026","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ba2 Mn3 (Se O3)6","","- Ba2 Mn3 O18 Se6 -","- Ba2 Mn3 O18 Se6 -","- Ba4 Mn6 O36 Se12 -","2","0.5","","Johnston, M.G.; Harrison, W.T.A.","Two new octahedral/pyramidal frameworks containing both cation channels and lone-pair channels: synthesis and structures of Ba2 Mn(II) Mn2(III) (Se O3)6 and Pb F2 (Se O3)4","Journal of Solid State Chemistry","2004","177","","4680","4686","","","","","","","","","","","","","","","","","","","","","","has coordinates","163873","2020-10-21","18:00:00",""
"1536240","5.2318","","6.7925","","7.6445","","94.3","","90.613","","95.224","","269.731","","","","","","","","","","","","","4","P -1","-P 1","2","","Pb Fe2 (Se O3)4","","- Fe2 O12 Pb Se4 -","- Fe2 O12 Pb Se4 -","- Fe2 O12 Pb Se4 -","1","0.5","","Johnston, M.G.; Harrison, W.T.A.","Two new octahedral/pyramidal frameworks containing both cation channels and lone-pair channels: synthesis and structures of Ba2 Mn(II) Mn2(III) (Se O3)6 and Pb F2 (Se O3)4","Journal of Solid State Chemistry","2004","177","","4680","4686","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536243","9.6481","","9.6481","","20.7832","","90","","90","","120","","1675.43","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sc2 (Se O3)3 (H2 O)3","","- H6 O12 Sc2 Se3 -","- H6 O12 Sc2 Se3 -","- H36 O72 Sc12 Se18 -","6","0.333333","","Johnston, M.G.; Harrison, W.T.A.","Syntheses and structures of three new scandium selenites: Sc2 (Se O3)3.H2 O, Sc2 (Se O3)3.3H2 O and Cs Se3 (Sc3 O3)4 (H Se O3)2.2H2 O","Journal of Solid State Chemistry","2004","177","","4316","4324","","","","","","","","","","","","","","","","","","","","","","has coordinates","163881","2020-10-21","18:00:00",""
"1536244","16.67","","13.167","","9.5749","","90","","90","","90","","2101.63","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs Sc3 (Se O3)4 (H Se O3)2 (H2 O)2","","- Cs H6 O20 Sc3 Se6 -","- Cs1.007 H6 O20 Sc3 Se6 -","- Cs4.028 H24 O80 Sc12 Se24 -","4","0.5","","Johnston, M.G.; Harrison, W.T.A.","Syntheses and structures of three new scandium selenites: Sc2 (Se O3)3.H2 O, Sc2 (Se O3)3.3H2 O and Cs Se3 (Sc3 O3)4 (H Se O3)2.2H2 O","Journal of Solid State Chemistry","2004","177","","4316","4324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536246","6.5913","","11.1596","","12.1368","","90","","90","","90","","892.738","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sc2 (Se O3)3 (H2 O)","","- H2 O10 Sc2 Se3 -","- O10 Sc2 Se3 -","- O40 Sc8 Se12 -","4","1","","Johnston, M.G.; Harrison, W.T.A.","Syntheses and structures of three new scandium selenites: Sc2 (Se O3)3.H2 O, Sc2 (Se O3)3.3H2 O and Cs Se3 (Sc3 O3)4 (H Se O3)2.2H2 O","Journal of Solid State Chemistry","2004","177","","4316","4324","","","","","","","","","","","","","","","","","","","","","","has coordinates","163889","2020-10-21","18:00:00",""
"1536260","5.8129","","5.8129","","10.3253","","90","","90","","90","","348.89","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Pr2 (Mo C2)","","- C2 Mo Pr2 -","- C2 Mo Pr2 -","- C8 Mo4 Pr8 -","4","0.25","","Dashjav, E.; Kreiner, G.; Schnelle, W.; Kniep, R.; Wagner, F.R.","Carbometallate: Komplexe Anionenverbaende (Mo C(4/2))(6-) in der Kristallstruktur von Pr(III)2 (Mo(II) C2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","689","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536264","5.9799","","6.6515","","11.856","","90","","111.631","","90","","438.366","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pr2 Mo2 C3","","- C3 Mo2 Pr2 -","- C3 Mo2 Pr2 -","- C12 Mo8 Pr8 -","4","1","","Dashjav, E.; Kreiner, G.; Schnelle, W.; Wagner, F.R.; Kniep, R.","Carbomolybdate(III): Zur Kenntnis von P2r2 (Mo2 C3) sowie Strukturbeziehungen zu Er2 Mo2 C3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2277","2286","","","","","","","","","","","","","","","","","","","","","","has coordinates","163915","2020-10-21","18:00:00",""
"1536265","8.956","","7.671","","13.26","","90","","98.959","","90","","899.868","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C22 F14 -","- C22 F14 -","- C44 F28 -","2","0.25","","Watt, S.W.; Dai, C.; Scott, A.J.; Burke, J.M.; Clegg, W.; Thomas, R.L.; Collings, J.C.; Viney, C.; Marder, T.B.","Structure and phase behavior of a 2:1 complex between arene- and fluoroarene-based conjugated rigid rods","Angewandte Chemie (Edition international)","2004","116","","3123","3125","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536267","17.066","","17.066","","20.883","","90","","90","","120","","5267.29","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs (Ti2 I7)","","- Cs I7 Ti2 -","- Cs I7 Ti2 -","- Cs12 I84 Ti24 -","12","0.666667","","Jongen, L.; Meyer, G.","Cesium heptaiodo-dititanate(III), Cs Ti2 I7","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","211","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536277","5.5959","","5.9499","","8.0213","","90","","90.425","","90","","267.062","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La2 Na Ir O6","","- Ir La2 Na O6 -","- Ir La2 Na O6 -","- Ir2 La4 Na2 O12 -","2","0.5","","Davis, M.J.; Mugavero, S.J.; Glab, K.I.; Smith, M.D.; zur Loye, H.C.","The crystal growth and characterization of the lanthanide-containing double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).","Solid State Sciences","2004","6","","413","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536280","5.5322","","5.9341","","7.9412","","90","","90.793","","90","","260.674","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pr2 Na Ir O6","","- Ir Na O6 Pr2 -","- Ir Na O6 Pr2 -","- Ir2 Na2 O12 Pr4 -","2","0.5","","Davis, M.J.; Mugavero, S.J.; Glab, K.I.; Smith, M.D.; zur Loye, H.C.","The crystal growth and characterization of the lanthanide-containing double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).","Solid State Sciences","2004","6","","413","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536284","5.506","","5.9228","","7.9131","","90","","90.946","","90","","258.018","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nd2 Na Ir O6","","- Ir Na Nd2 O6 -","- Ir Na Nd2 O6 -","- Ir2 Na2 Nd4 O12 -","2","0.5","","Davis, M.J.; Mugavero, S.J.; Glab, K.I.; Smith, M.D.; zur Loye, H.C.","The crystal growth and characterization of the lanthanide-containing double perovskites Ln2 Na Ir O6 (Ln= La, Pr, Nd).","Solid State Sciences","2004","6","","413","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536303","20.074","","5.1223","","21.68","","90","","111.658","","90","","2071.87","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rb (H2 C6 N9) (H2 O)0.5","","- C6 H3 N9 O0.5 Rb -","- C6 H3 N9 O0.5 Rb -","- C48 H24 N72 O4 Rb8 -","8","1","","Juergens, B.; Hoeppe, H.A.; Schnick, W.","Synthesis, crystal structure and properties of rubidium dihydrogentricyanomelaminate semihydrate Rb (H2 C6 N9) * (1/2)(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","35","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536307","6.21598","","7.4876","","7.7021","","90","","91.7841","","90","","358.303","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cd (N (C N)2)2","","- C4 Cd N6 -","- C4 Cd N6 -","- C8 Cd2 N12 -","2","0.5","","Juergens, B.; Irran, E.; Hoeppe, H.A.; Schnick, W.","Phase transition of a dicyanamide with rutile-like structure: syntheses and crystal structures of alpha- and beta- (Cd (N (C N)2)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","219","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536308","4.0932","","9.3331","","15.2505","","90","","90","","90","","582.603","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","In5 Se5 Br","","- Br In5 Se5 -","- Br In5 Se5 -","- Br2 In10 Se10 -","2","0.5","","Deiseroth, H.J.; Reiner, C.; Xhaxhiu, K.; Schlosser, M.; Kienle, L.","X-ray and transmission electron microscopy investigations of the new solids In5 S5 Cl, In5 Se5 Cl, In5 S5 Br and In5 Se5 Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2319","2328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536311","6.2462","","7.5292","","7.683","","90","","90","","90","","361.323","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Cd (N (C N)2)2","","- C4 Cd N6 -","- C4 Cd N6 -","- C8 Cd2 N12 -","2","0.25","","Juergens, B.; Schnick, W.; Irran, E.; Hoeppe, H.A.","Phase transition of a dicyanamide with rutile-like structure: syntheses and crystal structures of alpha- and beta- (Cd (N (C N)2)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","219","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536312","3.9201","","9.0562","","14.8116","","90","","90","","90","","525.83","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","In5 S5 Br","","- Br In5 S5 -","- Br In5 S5 -","- Br2 In10 S10 -","2","0.5","","Deiseroth, H.J.; Reiner, C.; Xhaxhiu, K.; Schlosser, M.; Kienle, L.","X-ray and transmission electron microscopy investigations of the new solids In5 S5 Cl, In5 Se5 Cl, In5 S5 Br and In5 Se5 Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2319","2328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536315","9.2305","","4.0866","","15.2937","","90","","92.468","","90","","576.364","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","In5 Se5 Cl","","- Cl In5 Se5 -","- Cl In5 Se5 -","- Cl2 In10 Se10 -","2","0.5","","Deiseroth, H.J.; Reiner, C.; Xhaxhiu, K.; Schlosser, M.; Kienle, L.","X-ray and transmission electron microscopy investigations of the new solids In5 S5 Cl, In5 Se5 Cl, In5 S5 Br and In5 Se5 Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2319","2328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536318","8.9265","","3.9062","","14.951","","90","","93.476","","90","","520.363","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","In5 S5 Cl","","- Cl In5 S5 -","- Cl In5 S5 -","- Cl2 In10 S10 -","2","0.5","","Deiseroth, H.J.; Kienle, L.; Reiner, C.; Xhaxhiu, K.; Schlosser, M.","X-ray and transmission electron microscopy investigations of the new solids In5 S5 Cl, In5 Se5 Cl, In5 S5 Br and In5 Se5 Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2319","2328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536333","7.4328","","8.3346","","9.9898","","87.005","","78.843","","77.21","","592.073","","","","","","","","","","","","","3","P -1","-P 1","2","","Cd2 (Te2 O7)","","- Cd2 O7 Te2 -","- Cd2 O7 Te2 -","- Cd8 O28 Te8 -","4","2","","Weil, M.","New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions","Solid State Sciences","2004","6","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","164007","2020-10-21","18:00:00",""
"1536337","9.3039","","7.3196","","13.2479","","90","","122.914","","90","","757.379","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cd2 (Te3 O9)","","- Cd2 O9 Te3 -","- Cd2 O9 Te3 -","- Cd8 O36 Te12 -","4","1","","Weil, M.","New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions","Solid State Sciences","2004","6","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","164011","2020-10-21","18:00:00",""
"1536338","5.7615","","9.9792","","24.347","","90","","90","","90","","1399.83","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba5 Fe5 O14 -","- Ba5 Fe5 O14 -","- Ba20 Fe20 O56 -","4","0.25","","Delattre, J.L.; Stacy, A.M.; Siegrist, T.","Structure of ten-layer orthorhombic Ba5 Fe5 O14 (Ba Fe O2.8) determined from single crystal x-ray diffraction","Journal of Solid State Chemistry","2004","177","","928","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536340","10.9536","","16.556","","15.779","","90","","90","","90","","2861.49","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca4 (Te5 O14)","","- Ca4 O14 Te5 -","- Ca4 O14 Te5 -","- Ca32 O112 Te40 -","8","1","","Weil, M.","New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions","Solid State Sciences","2004","6","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","164014","2020-10-21","18:00:00",""
"1536378","7.7638","","6.2298","","10.404","","90","","102.023","","90","","492.171","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","(Cd (S O4))2 (Hg O)2 (H2 O)","","- Cd2 H2 Hg2 O11 S2 -","- Cd2 Hg2 O11 S2 -","- Cd4 Hg4 O22 S4 -","2","0.5","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536380","10.203","","9.885","","9.522","","90","","90","","90","","960.357","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Ba3 (Al2 F12)","","- Al2 Ba3 F12 -","- Al2 Ba3 F12 -","- Al8 Ba12 F48 -","4","0.5","","Kaiser, V.; Babel, D.","Zur Kristallstruktur von Ba3 Al2 F12","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","794","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","164059","2020-10-21","18:00:00",""
"1536381","7.9895","","6.3307","","10.5738","","90","","102.795","","90","","521.533","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","(Cd (Se O4))2 (Hg O)2 (H2 O)","","- Cd2 H2 Hg2 O11 Se2 -","- Cd2 Hg2 O11 Se2 -","- Cd4 Hg4 O22 Se4 -","2","0.5","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536383","10.54","","9.012","","6.133","","90","","100.45","","90","","572.89","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(Cd (Se O4)) (Hg (O H)2)","","- Cd H2 Hg O6 Se -","- Cd Hg O6 Se -","- Cd4 Hg4 O24 Se4 -","4","0.5","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536385","6.1297","","11.268","","12.9668","","90","","90","","90","","895.61","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(Co (S O4))2 (Hg O)2 (H2 O)","","- Co2 H2 Hg2 O11 S2 -","- Co2 H2 Hg2 O11 S2 -","- Co8 H8 Hg8 O44 S8 -","4","0.5","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M= Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536388","6.1323","","11.2609","","12.9574","","90","","90","","90","","894.776","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(Zn (S O4))2 (Hg O)2 (H2 O)","","- H2 Hg2 O11 S2 Zn2 -","- H2 Hg2 O11 S2 Zn2 -","- H8 Hg8 O44 S8 Zn8 -","4","0.5","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","164070","2020-10-21","18:00:00",""
"1536391","6.1967","","11.4481","","13.3628","","90","","90","","90","","947.963","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(Zn (Se O4))2 (Hg O)2 (H2 O)","","- H2 Hg2 O11 Se2 Zn2 -","- H2 Hg2 O11 Se2 Zn2 -","- H8 Hg8 O44 Se8 Zn8 -","4","0.5","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","164074","2020-10-21","18:00:00",""
"1536393","17.342","","6.1939","","4.4713","","90","","90.154","","90","","480.281","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(Zn Se O3) (Zn Se O4) Hg2 (O H)2","","- H2 Hg2 O9 Se2 Zn2 -","- Hg2 O9 Se2 Zn2 -","- Hg4 O18 Se4 Zn4 -","2","0.25","","Weil, M.","Preparation and crystal structure analyses of compounds in the systems Hg O/M X O4/H2 O (M = Co, Zn, Cd; X = S, Se)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","164078","2020-10-21","18:00:00",""
"1536396","5.7522","","6.8941","","8.5785","","90.394","","103.532","","93.289","","330.13","","","","","","","","","","","","","4","P -1","-P 1","2","","(Hg2) ((H4 Te O6) (H6 Te O6)) (H2 O)2","","- H14 Hg2 O14 Te2 -","- H14 Hg2 O14 Te2 -","- H14 Hg2 O14 Te2 -","1","0.5","","Weil, M.","Preparation and crystal structures of the hydrous mercury tellurates, Hg(II) (H4 Te(VI) O6) and Hg(1)2 (H4 Te(VI) O6) (H6 Te(VI) O6) (H2 O)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1048","1053","","","","","","","","","","","","","","","","","","","","","","has coordinates","164082","2020-10-21","18:00:00",""
"1536399","9.9803","","12.2039","","7.2374","","90","","90","","90","","881.505","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Hg2)2 (As2 O7)","","- As2 Hg4 O7 -","- As2 Hg4 O7 -","- As8 Hg16 O28 -","4","0.5","","Weil, M.","Single crystal growth and crystal structure of mercurous diarsenate(V), (Hg2)2 (As2 O7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","213","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","164086","2020-10-21","18:00:00",""
"1536425","5.4937","","5.4937","","7.56979","","90","","90","","90","","228.462","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","Y Ba Co Mn O5","","- Ba Co Mn O5 Y -","- Ba Co Mn O5 Y -","- Ba2 Co2 Mn2 O10 Y2 -","2","0.25","","Karen, P.; Suard, E.; Fauth, F.; Woodward, P.M.","Y Ba Mn Co O5: neither valence mixed nor charge ordered","Solid State Sciences","2004","6","","1195","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536428","3.89198","","3.89198","","7.59783","","90","","90","","90","","115.088","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Y Ba Co Mn O5","","- Ba Co Mn O5 Y -","- Ba Co Mn O5 Y -","- Ba Co Mn O5 Y -","1","0.0625","","Karen, P.; Fauth, F.; Suard, E.; Woodward, P.M.","Y Ba Mn Co O5: neither valence mixed nor charge ordered","Solid State Sciences","2004","6","","1195","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536442","12.618","","7.2241","","6.9367","","90","","90","","90","","632.306","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Cu Hg2 S2 I","","- Cu1.06 Hg1.94 I S2 -","- Cu1.06 Hg1.94 I S2 -","- Cu4.24 Hg7.76 I4 S8 -","4","0.5","","Keller, H.L.; Wimbert, L.","Ueber Muenzmetall - Quecksilber - Chalkogenidhalogenide. IV. Hydrothermalsynthese und Kristallstruktur von Cu Hg S I und Cu Hg2 S2 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536446","7.183","","8.343","","6.989","","90","","90","","90","","418.835","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cu Hg S I","","- Cu Hg I S -","- Cu Hg I S -","- Cu4 Hg4 I4 S4 -","4","1","","Keller, H.L.; Wimbert, L.","Ueber Muenzmetall - Quecksilber - Chalkogenidhalogenide. IV. Hydrothermalsynthese und Kristallstruktur von Cu Hg S I und Cu Hg2 S2 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536453","32.903","","4.7666","","12.6057","","90","","109.752","","90","","1860.7","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cd6 Sb12 Sr11 -","- Cd6 Sb12 Sr11 -","- Cd12 Sb24 Sr22 -","2","0.25","","Park, S.-M.; Kim, S.-J.","Sr11 Cd6 Sb12: A new Zintl compound with infinite chains of pentagonal tubes","Journal of Solid State Chemistry","2004","177","","3418","3422","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536457","15.647","","17.2876","","17.92","","90","","90","","90","","4847.34","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Eu7 Ga6 Sb8 -","- Eu7 Ga6 Sb8 -","- Eu56 Ga48 Sb64 -","8","1","","Park, S.-M.; Kim, S.-J.; Kanatzidis, M.G.","Eu7 Ga6 Sb8: A Zintl phase with Ga-Ga bonds and polymeric gallium antimonide chains","Journal of Solid State Chemistry","2004","177","","2867","2874","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536458","8.8041","","8.8041","","8.8041","","90","","90","","90","","682.425","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","(Na0.4 Ca0.3)6 (Al Si O4)6 (H2 O)8","","- Al6 Ca1.8 H16 Na2.4 O32 Si6 -","- Al6 Ca1.8 Na2.4 O32 Si6 -","- Al6 Ca1.8 Na2.4 O32 Si6 -","1","0.0416667","","Kendrick, E.; Dann, S.","Synthesis properties and structure of ion exchanged hydrosodalite","Journal of Solid State Chemistry","2004","177","","1513","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536461","8.8458","","8.8458","","8.8458","","90","","90","","90","","692.168","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","(Cs0.024 Na0.976)6 (Al Si O4)6 (H2 O)8","","- Al6 Cs0.144 H16 Na5.856 O32 Si6 -","- Al6 Cs0.144 Na5.856 O32 Si6 -","- Al6 Cs0.144 Na5.856 O32 Si6 -","1","0.0416667","","Kendrick, E.; Dann, S.","Synthesis properties and structure of ion exchanged hydrosodalite","Journal of Solid State Chemistry","2004","177","","1513","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536465","8.8687","","8.8687","","8.8687","","90","","90","","90","","697.557","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Na6 (Al Si O4)6 (H2 O)8","","- Al6 H16 Na6 O32 Si6 -","- Al6 Na6 O32 Si6 -","- Al6 Na6 O32 Si6 -","1","0.0416667","","Kendrick, E.; Dann, S.","Synthesis properties and structure of ion exchanged hydrosodalite","Journal of Solid State Chemistry","2004","177","","1513","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536467","14.944","","12.916","","9.945","","90","","100.483","","90","","1887.51","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","K3 ((Nb2 Se2) (Se2)3 (As Se3))","","- As K3 Nb2 Se11 -","- As K3 Nb2 Se11 -","- As4 K12 Nb8 Se44 -","4","1","","Do Jung-Hwan; Kanatzidis, M.G.","The noncentrosymmetric chain compounds, A3 M2 As Se11 (A = K, Rb, Cs; M = Nb, Ta)","Journal of Alloys Compd.","2004","381","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536469","8.952","","8.952","","8.952","","90","","90","","90","","717.398","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","(Mg0.33 Na0.33)6 (Al Si O4)6 (H2 O)8","","- Al6 H16 Mg1.98 Na1.98 O32 Si6 -","- Al6 Mg2 Na2 O32 Si6 -","- Al6 Mg2 Na2 O32 Si6 -","1","0.0416667","","Kendrick, E.; Dann, S.","Synthesis properties and structure of ion exchanged hydrosodalite","Journal of Solid State Chemistry","2004","177","","1513","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536471","15.111","","13.2423","","10.0413","","90","","99.768","","90","","1980.18","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rb3 ((Nb2 Se2) (Se2)3 (As Se3))","","- As Nb2 Rb3 Se11 -","- As Nb2 Rb3 Se11 -","- As4 Nb8 Rb12 Se44 -","4","1","","Do Jung-Hwan; Kanatzidis, M.","The noncentrosymmetric chain compounds, A3 M2 As Se11 (A = K, Rb, Cs; M = Nb, Ta)","Journal of Alloys Compd.","2004","381","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536473","9.206","","9.206","","9.206","","90","","90","","90","","780.213","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","(Na0.3333 K0.6667)6 (Al Si O4)6 (H2 O)8","","- Al6 H16 K4.0002 Na1.9998 O32 Si6 -","- Al6 K4 Na2 O32 Si6 -","- Al6 K4 Na2 O32 Si6 -","1","0.0416667","","Kendrick, E.; Dann, S.","Synthesis properties and structure of ion exchanged hydrosodalite","Journal of Solid State Chemistry","2004","177","","1513","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536475","15.254","","13.748","","10.187","","90","","98.367","","90","","2113.6","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cs3 ((Nb2 Se2) (Se2)3 (As Se3))","","- As Cs3 Nb2 Se11 -","- As Cs3 Nb2 Se11 -","- As4 Cs12 Nb8 Se44 -","4","1","","Do Jung-Hwan; Kanatzidis, M.","The noncentrosymmetric chain compounds, A3 M2 As Se11 (A = K, Rb, Cs; M = Nb, Ta)","Journal of Alloys Compd.","2004","381","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536477","9.185","","9.185","","9.185","","90","","90","","90","","774.885","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","(Na0.035 K0.965)6 (Al Si O4)6 (H2 O)8","","- Al6 H16 K5.79 Na0.21 O32 Si6 -","- Al6 K5.792 Na0.208 O32 Si6 -","- Al6 K5.792 Na0.208 O32 Si6 -","1","0.0416667","","Kendrick, E.; Dann, S.","Synthesis properties and structure of ion exchanged hydrosodalite","Journal of Solid State Chemistry","2004","177","","1513","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536479","14.924","","12.938","","9.9431","","90","","100.319","","90","","1888.83","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","K3 ((Ta2 Se2) (Se2)3 (As Se3))","","- As K3 Se11 Ta2 -","- As K3 Se11 Ta2 -","- As4 K12 Se44 Ta8 -","4","1","","Do Jung-Hwan; Kanatzidis, M.","The noncentrosymmetric chain compounds, A3 M2 As Se11 (A= K, Rb, Cs; M= Nb, Ta)","Journal of Alloys Compd.","2004","381","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536481","8.7675","","8.7675","","8.7675","","90","","90","","90","","673.949","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","(Li0.379 Na0.621)6 (Al Si O4)6 (H2 O)8","","- Al6 H16 Li2.274 Na3.726 O32 Si6 -","- Al6 Li2.272 Na3.728 O32 Si6 -","- Al6 Li2.272 Na3.728 O32 Si6 -","1","0.0416667","","Kendrick, E.; Dann, S.","Synthesis properties and structure of ion exchanged hydrosodalite","Journal of Solid State Chemistry","2004","177","","1513","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536484","8.989","","8.989","","8.989","","90","","90","","90","","726.33","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","Na1.056 Sr2.472 Al6 H16 Si6 O32","","- Al6 H16 Na1.056 O32 Si6 Sr2.472 -","- Al6 Na1.056 O32 Si6 Sr2.472 -","- Al6 Na1.056 O32 Si6 Sr2.472 -","1","0.0416667","","Kendrick, E.; Dann, S.","Synthesis properties and structure of ion exchanged hydrosodalite","Journal of Solid State Chemistry","2004","177","","1513","1519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536489","7.5305","","9.953","","10.0741","","81.515","","72.32","","71.76","","682.103","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba6 (Mg10.11 Fe0.89) F34","","- Ba6 F34 Fe0.89 Mg10.11 -","- Ba6 F34 Fe0.883 Mg10.111 -","- Ba6 F34 Fe0.883 Mg10.111 -","1","0.5","","Kerbe, W.; Weil, M.; Kubel, F.; Hagemann, H.","Syntheses and crystal structures of Ba6 Mg11 F34 and the solid solutions Ba6 Mg11-x M(II)x F34 (M(II) = Mn, Fe) and luminescence of Ba6 Mg11 F34:Eu(2+)","Materials Research Bulletin","2004","39","","343","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","164211","2020-10-21","18:00:00",""
"1536491","4.088","","4.088","","16.672","","90","","90","","90","","278.618","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Nd0.6 Gd0.4 Se1.839","","- Gd0.4 Nd0.6 Se1.839 -","- Gd0.4 Nd0.6 Se1.8387 -","- Gd0.8 Nd1.2 Se3.6774 -","2","0.25","","Doert, T.; Tsinde, B.P.F.; Lidin, S.; Garcia Garcia, F.J.","Site occupancy wave and charge density wave in the modulated structure of Nd0.6 Gd0.4 Se1.85","Journal of Solid State Chemistry","2004","177","","1598","1606","","","","","","","","","","","","","","","","","","","","","","has coordinates","164214","2020-10-21","18:00:00",""
"1536492","7.571","","10.0154","","10.1148","","81.692","","72.044","","71.772","","692.021","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba6 (Mg8.76 Mn2.24) F34","","- Ba6 F34 Mg8.76 Mn2.24 -","- Ba6 F34 Mg8.757 Mn2.243 -","- Ba6 F34 Mg8.757 Mn2.243 -","1","0.5","","Kerbe, W.; Weil, M.; Kubel, F.; Hagemann, H.","Syntheses and crystal structures of Ba6 Mg11 F34 and the solid solutions Ba6 Mg11-x M(II)x F34 (M(II) = Mn, Fe) and luminescence of Ba6 Mg11 F34:Eu(2+)","Materials Research Bulletin","2004","39","","343","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","164215","2020-10-21","18:00:00",""
"1536494","7.561","","9.9991","","10.1022","","81.705","","72.128","","71.838","","689.689","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba6 (Mg9.06 Mn1.94) F34","","- Ba6 F34 Mg9.06 Mn1.94 -","- Ba6 F34 Mg9.065 Mn1.935 -","- Ba6 F34 Mg9.065 Mn1.935 -","1","0.5","","Kerbe, W.; Weil, M.; Kubel, F.; Hagemann, H.","Syntheses and crystal structures of Ba6 Mg11 F34 and the solid solutions Ba6 Mg11-x M(II)x F34 (M(II) = Mn, Fe) and luminescence of Ba6 Mg11 F34:Eu(2+)","Materials Research Bulletin","2004","39","","343","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","164219","2020-10-21","18:00:00",""
"1536496","7.5084","","9.9192","","10.0354","","81.536","","72.402","","71.798","","675.633","","","","","","","","","","","","","3","P -1","-P 1","2","","Ba6 Mg11 F34","","- Ba6 F34 Mg11 -","- Ba6 F34 Mg11 -","- Ba6 F34 Mg11 -","1","0.5","","Kerbe, W.; Kubel, F.; Weil, M.; Hagemann, H.","Syntheses and crystal structures of Ba6 Mg11 F34 and the solid solutions Ba6 Mg11-x M(II)x F34 (M(II) = Mn, Fe) and luminescence of Ba6 Mg11 F34:Eu(2+)","Materials Research Bulletin","2004","39","","343","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","164223","2020-10-21","18:00:00",""
"1536499","18.652","","6.0241","","7.9465","","90","","111.59","","90","","830.237","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba2 (Mg1.85 Mn1.15) F10","","- Ba2 F10 Mg1.85 Mn1.15 -","- Ba2 F10 Mg1.844 Mn1.156 -","- Ba8 F40 Mg7.376 Mn4.624 -","4","0.5","","Kerbe, W.; Weil, M.; Kubel, F.; Hagemann, H.","Syntheses and crystal structures of Ba6 Mg11 F34 and the solid solutions Ba6 Mg11-x M(II)x F34 (M(II) = Mn, Fe) and luminescence of Ba6 Mg11 F34:Eu(2+)","Materials Research Bulletin","2004","39","","343","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","164227","2020-10-21","18:00:00",""
"1536514","7.1021","","8.4678","","13.3551","","90","","99.666","","90","","791.762","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tb (I O3)3","","- I3 O9 Tb -","- I3 O9 Tb -","- I12 O36 Tb4 -","4","1","","Douglas, P.; Hector, A.L.; Levason, W.; Matthews, M.L.; Light, M.E.; Webster, M.","Hydrothermal synthesis of rare earth iodates from the corresponding periodates: II. Synthesis and structures of Ln (I O3)3 (Ln = Pr, Nd, Sm, Eu, Gd, Tb, Ho, Er) and Ln (I O3)3 * 2(H2 O) (Ln = Eu, Gd, Dy, Er, Tm, Yb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","479","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536516","7.0132","","7.3702","","10.458","","95.25","","105.096","","109.91","","480.947","","","","","","","","","","","","","4","P -1","-P 1","2","","Yb (I O3)3 (H2 O)2","","- H4 I3 O11 Yb -","- H4 I3 O11 Yb -","- H8 I6 O22 Yb2 -","2","1","","Douglas, P.; Hector, A.L.; Webster, M.; Levason, W.; Matthews, M.L.; Light, M.E.","Hydrothermal synthesis of rare earth iodates from the corresponding periodates: II. Synthesis and structures of Ln (I O3)3 (Ln = Pr, Nd, Sm, Eu, Gd, Tb, Ho, Er) and Ln (I O3)3 * 2(H2 O) (Ln = Eu, Gd, Dy, Er, Tm, Yb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","479","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536518","11.8974","","11.8974","","27.965","","90","","90","","120","","3428.07","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(N H4)4 (Pt12 O8 (S O4)12)","","- H16 N4 O56 Pt12 S12 -","- H16 N4 O56 Pt12 S12 -","- H48 N12 O168 Pt36 S36 -","3","0.166667","","Wickleder, M.; Pley, M.","The Cluster Ion [Pt12 O8 (S O4)12]4-","Angewandte Chemie (Edition international)","2004","43","","4168","4170","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1536541","15.124","","15.124","","24.209","","90","","90","","120","","4795.58","","","","","","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","Na5.4 K6.6 ((V O)3 (As W9 O33)2) (H2 O)29","","- As2 H58 K6.6 Na5.4 O98 V3 W18 -","- As2 K6.6 Na5.4 O97.98 V3 W18 -","- As4 K13.2 Na10.8 O195.96 V6 W36 -","2","0.0833333","","Drewes, D.; Limanski, E.M.; Piepenbrink, M.; Krebs, B.","Neue Heteropolyanionen des Wolframs mit Vanadium(IV) als Heteroatom","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536544","13.299","","13.554","","18.62","","90.22","","97.85","","119.16","","2893.87","","","","","","","","","","","","","7","P -1","-P 1","2","","Na4 ((C H3)4 N)6 (((V O) (H2 O)2)2 (W O2)2 (Bi W9 O33)2) (H2 O)18","","- C24 Bi2 N6 Na O94 V2 W20 -","- C24 Bi2 N6 Na O94 V2 W20 -","- C24 Bi2 N6 Na O94 V2 W20 -","1","0.5","","Drewes, D.; Limanski, E.M.; Krebs, B.; Piepenbrink, M.","Neue heteropolyanionen des Wolframs mit Vanadium(IV) als Heteroatom","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536547","26.054","","14.732","","17.646","","90","","109.7","","90","","6376.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N H4)10 (Sb4 Mo12 (O H)6 O48) (H2 O)11","","- H68 Mo12 N10 O65 Sb4 -","- Mo12 O75 Sb4 -","- Mo48 O300 Sb16 -","4","0.5","","Drewes, D.; Vollmer, G.; Krebs, B.","Synthesis and structural characterization of a novel type of heteropolyanion: (Sb4 Mo12 (O H)6 O48)(10-)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2573","2575","","","","","","","","","","","","","","","","","","","","","","has coordinates","164294","2020-10-21","18:00:00",""
"1536570","10.4364","","13.5085","","7.5299","","90","","90","","90","","1061.57","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","(Li I)2 (Li3 (Sb S3))","","- I2 Li5 S3 Sb -","- I2 Li5 S3 Sb -","- I8 Li20 S12 Sb4 -","4","0.5","","Pfitzner, A.; Rau, F.; Preitschaft, C.","(Li I)2 Li3 Sb S3: a mixed alkali metal halide thioantimonate with a novel tetrahedron network","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","75","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536573","6.4724","","7.9651","","9.4229","","104.447","","108.919","","101.741","","423.022","","","","","","","","","","","","","3","P -1","-P 1","2","","Fe2 Fe1.5 (P O4)3","","- Fe3.5 O12 P3 -","- Fe3.5 O12 P3 -","- Fe7 O24 P6 -","2","1","","Duan Liying; Wang Enbo; Liu Fuchen; Li Yangguang; Hu Changwen; Xu Lin","Hydrothermal synthesis and properties of open-framework mixed-valence iron phosphates Fe2(III) Fe1.5(II) (P O4)3 with three-dimensional structure","Chinese Journal of Chemistry","2004","22","","55","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","164330","2020-10-21","18:00:00",""
"1536577","20.477","","21.321","","21.454","","91.09","","95.14","","93.16","","9312.05","","","","","","","","","","","","","3","P -1","-P 1","2","","(Pd Bi10) (Bi6 Cl22)","","- Bi16 Cl22 Pd -","- Bi16 Cl22 Pd -","- Bi128 Cl176 Pd8 -","8","4","","Dubenskiy, V.; Ruck, M.","Das Subchlorid Bi16 Pd Cl22: Pd Bi10(4+)-Polykationen in einem Raumnetzwerk aus Chlorobismutat(III)-Anionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2458","2462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536579","12.777","","5.589","","27.971","","90","","101.009","","90","","1960.67","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bi13 As3 Mo6 O42","","- As3 Bi13 Mo6 O42 -","- As3 Bi13 Mo6 O42 -","- As6 Bi26 Mo12 O84 -","2","0.5","","Duc, F.; Rozier, P.; Millet, P.; Galy, J.","Bi(7-x) As(1+x) Mo3 O21 (0 <= x <= 1) a new pillar structure type: synthesis, crystal structure and conductivity","Solid State Sciences","2004","6","","897","905","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536615","8.686","","8.2615","","9.2183","","90","","116.323","","90","","592.908","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pt2 (H S O4)2 (S O4)2","","- H2 O16 Pt2 S4 -","- O16 Pt2 S4 -","- O32 Pt4 S8 -","2","0.5","","Pley, M.; Wickleder, M.S.","Pt2 (H S O4)2 (S O4)2, the first binary sulfate of platinum","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1036","1039","","","","","","","","","","","","","","","","","","","","","","has coordinates","164394","2020-10-21","18:00:00",""
"1536637","5.866","","5.866","","14.596","","90","","90","","120","","434.959","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Na (Ir2 O9)","","- Ba3 Ir2 Na O9 -","- Ba3 Ir2 Na O9 -","- Ba6 Ir4 Na2 O18 -","2","0.0833333","","Kim, S.-J.; Smith, M.D.; Darriet, J.; zur Loye, H.C.","Crystal growth of new perovskite and perovskite related iridates: Ba3 Li Ir2 O9, Ba3 Na Ir2 O9, and Ba3.44 K1.56 Ir2 O10","Journal of Solid State Chemistry","2004","177","","1493","1500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536639","5.7804","","5.7804","","14.3022","","90","","90","","120","","413.856","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Li (Ir2 O9)","","- Ba3 Ir2 Li O9 -","- Ba3 Ir2 Li O9 -","- Ba6 Ir4 Li2 O18 -","2","0.0833333","","Kim, S.-J.; Smith, M.D.; Darriet, J.; zur Loye, H.C.","Crystal growth of new perovskite and perovskite related iridates: Ba3 Li Ir2 O9, Ba3 Na Ir2 O9, and Ba3.44 K1.56 Ir2 O10","Journal of Solid State Chemistry","2004","177","","1493","1500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536642","5.9133","","5.9133","","18.1792","","90","","90","","120","","550.51","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3.44 K1.56 (Ir2 O9) O","","- Ba3.44 Ir2 K1.56 O10 -","- Ba3.448 Ir2 K1.56 O10.02 -","- Ba6.896 Ir4 K3.12 O20.04 -","2","0.0833333","","Kim, S.-J.; Smith, M.D.; Darriet, J.; zur Loye, H.C.","Crystal growth of new perovskite and perovskite related iridates: Ba3 Li Ir2 O9, Ba3 Na Ir2 O9, and Ba3.44 K1.56 Ir2 O10","Journal of Solid State Chemistry","2004","177","","1493","1500","","","","","","","","","","","","","","","","","","","","","","has coordinates","164433","2020-10-21","18:00:00",""
"1536644","7.297","","7.297","","16.314","","90","","90","","120","","752.28","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pd7 Sn2 Se9.85","","- Pd7 Se9.85 Sn2 -","- Pd7 Se9.851 Sn2 -","- Pd14 Se19.702 Sn4 -","2","0.0833333","","Pocha, R.; Johrendt, D.","The first palladium tin selenide: Pd7 Sn2 Se9.85","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2468","2472","","","","","","","","","","","","","","","","","","","","","","has coordinates","164436","2020-10-21","18:00:00",""
"1536657","7.0007","","7.5195","","8.4327","","109.3","","100.57","","99.5","","399.486","","","","","","","","","","","","","4","P -1","-P 1","2","","Cs2 ((U O2)3 (Te O3)2 O2)","","- Cs2 O14 Te2 U3 -","- Cs2 O14 Te2 U3 -","- Cs2 O14 Te2 U3 -","1","0.5","","Woodward, J.D.; Albrecht-Schmitt, T.E.; Almond, P.M.","Synthesis and crystal structures of the layered uranyl tellurites A2 ((U O2)3 (Te O3)2 O2) (A = K, Rb, Cs)","Journal of Solid State Chemistry","2004","177","","3971","3976","","","","","","","","","","","","","","","","","","","","","","has coordinates","164454","2020-10-21","18:00:00",""
"1536661","7.0101","","7.0742","","8.0848","","105.509","","101.76","","99.456","","367.912","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb2 ((U O2)3 (Te O3)2 O2)","","- O14 Rb2 Te2 U3 -","- O14 Rb2 Te2 U3 -","- O14 Rb2 Te2 U3 -","1","0.5","","Woodward, J.D.; Almond, P.M.; Albrecht-Schmitt, T.E.","Synthesis and crystal structures of the layered uranyl tellurites A2 ((U O2)3 (Te O3)2 O2) (A = K, Rb, Cs)","Journal of Solid State Chemistry","2004","177","","3971","3976","","","","","","","","","","","","","","","","","","","","","","has coordinates","164458","2020-10-21","18:00:00",""
"1536664","6.7989","","7.0123","","7.8965","","101.852","","102.974","","100.081","","349.255","","","","","","","","","","","","","4","P -1","-P 1","2","","K2 ((U O2)3 (Te O3)2 O2)","","- K2 O14 Te2 U3 -","- K2 O14 Te2 U3 -","- K2 O14 Te2 U3 -","1","0.5","","Woodward, J.D.; Almond, P.M.; Albrecht-Schmitt, T.E.","Synthesis and crystal structures of the layered uranyl tellurites A2 ((U O2)3 (Te O3)2 O2) (A = K, Rb, Cs)","Journal of Solid State Chemistry","2004","177","","3971","3976","","","","","","","","","","","","","","","","","","","","","","has coordinates","164462","2020-10-21","18:00:00",""
"1536670","6.094","","6.094","","21.698","","90","","90","","120","","697.839","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(N H4) H3 (Cu2 Mo2 O10)","","- Cu2 H7 Mo2 N O10 -","- Cu2.001 Mo2 N O10 -","- Cu6.003 Mo6 N3 O30 -","3","0.166667","","Wu Chuande; Lu Canzhong; Lin Xiang; Lu Shaofang; Zhuang Honghui; Huang Jinshun","Synthesis, structural characterization and properties of two new lamellar polymers: (N H4 H3 Cu2 Mo2 O10) and (K H Fe2 Mo2 O10)","Journal of Alloys Compd.","2004","368","","342","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536672","9.6355","","6.5914","","7.8509","","90","","115.917","","90","","448.475","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","K H (Fe2 Mo2 O10)","","- Fe2 H K Mo2 O10 -","- Fe2 K Mo2 O10 -","- Fe4 K2 Mo4 O20 -","2","0.25","","Wu Chuande; Lu Shaofang; Lin Xiang; Lu Canzhong; Zhuang Honghui; Huang Jinshun","Synthesis, structural characterization and properties of two new lamellar polymers: (N H4 H3 Cu2 Mo2 O10) and (K H Fe2 Mo2 O10)","Journal of Alloys Compd.","2004","368","","342","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536732","6.5503","","12.532","","8.038","","90","","127.747","","90","","521.739","","","","","","","","","","","","","2","P 1 c 1","P -2yc","7","","Ba As2","","- As2 Ba -","- As2 Ba -","- As12 Ba6 -","6","3","","Emmerling, F.; Petri, D.; Roehr, C.","Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2490","2501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536735","7.872","","10.529","","11.77","","90","","90","","90","","975.548","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","K Ba2 As5","","- As5 Ba2 K -","- As5 Ba2 K -","- As20 Ba8 K4 -","4","0.5","","Emmerling, F.; Petri, D.; Roehr, C.","Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2490","2501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536737","7.7844","","7.7844","","14.309","","90","","90","","120","","750.914","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Rb Ba2 As5","","- As5 Ba2 Rb -","- As5 Ba2 Rb -","- As15 Ba6 Rb3 -","3","0.5","","Emmerling, F.; Petri, D.; Roehr, C.","Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I) = K, Rb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2490","2501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536741","8.0916","","8.2089","","8.5679","","69.21","","62.74","","67.16","","455.202","","","","","","","","","","","","","4","P -1","-P 1","2","","Fe3 (H2 O) (Se O3)3","","- Fe3 H2 O10 Se3 -","- Fe3 O10 Se3 -","- Fe6 O20 Se6 -","2","1","","Xiao, D.; Hou, Y.; Wang, E.; An, H.; Lue, A.; Li, Y.; Hu, C.; Xu, L.","Hydrothermal synthesis and crystal structure of a three-dimensional metal selenite containing double helical chains: Fe3 (H2 O) (Se O3)3","Journal of Solid State Chemistry","2004","177","","2699","2704","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536798","7.7436","","7.7436","","11.6403","","90","","90","","90","","697.991","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(N H4)2 (Re I6)","","- H8 I6 N2 Re -","- H8 I6 N2 Re -","- H16 I12 N4 Re2 -","2","0.125","","Kochel, A.","Synthesis, structure and magnetic susceptibility of ammonium hexaiodorhenate(IV)","Materials Science","2004","22","","69","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536856","16.2778","","13.1509","","21.1045","","90","","103.276","","90","","4397.06","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cs3 Pr5 (P S4)6","","- Cs3 P6 Pr5 S24 -","- Cs3 P6 Pr5 S24 -","- Cs12 P24 Pr20 S96 -","4","0.5","","Komm, T.; Schleid, T.","The new cesium praseodymium thiophosphate Cs3 Pr5 (P S4)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","712","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","164744","2020-10-21","18:00:00",""
"1536859","10.6572","","10.6572","","18.9923","","90","","90","","90","","2157.07","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Y (P S4)","","- P S4 Y -","- P S4 Y -","- P16 S64 Y16 -","16","0.5","","Komm, T.; Schleid, T.","Y (P S4): An unusual A B X4 compoumd with a Pt S-related crystal structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1544","1546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536909","9.595","","9.595","","6.067","","90","","90","","120","","483.721","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Nd (H Se O4)3","","- H3 Nd O12 Se3 -","- Nd O12 Se3 -","- Nd2 O24 Se6 -","2","0.166667","","Zakharov, M.A.; Kemnitz, E.; Troyanov, S.I.","Synthesis and crystal structure of the rare earth selenates: Nd(HSeO4)3, Sm(HSeO4)3 and Nd2(SeO4)3*5H2O","Kristallografiya","2004","49","","835","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536913","9.522","","9.522","","6.011","","90","","90","","120","","471.991","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Sm (H Se O4)3","","- H3 O12 Se3 Sm -","- H3 O12 Se3 Sm -","- H6 O24 Se6 Sm2 -","2","0.166667","","Zakharov, M.A.; Troyanov, S.I.; Kemnitz, E.","Synthesis and crystal structure of the rare earth selenates: Nd(HSeO4)3, Sm(HSeO4)3 and Nd2(SeO4)3*5H2O","Kristallografiya","2004","49","","835","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536915","10.629","","13.975","","9.752","","90","","93.13","","90","","1446.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Nd2 (Se O4)3 (H2 O)5","","- H10 Nd2 O17 Se3 -","- Nd2 O17 Se3 -","- Nd8 O68 Se12 -","4","1","","Zakharov, M.A.; Kemnitz, E.; Troyanov, S.I.","Synthesis and crystal structure of the rare earth selenates: Nd(HSeO4)3, Sm(HSeO4)3 and Nd2(SeO4)3*5H2O","Kristallografiya","2004","49","","835","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","164809","2020-10-21","18:00:00",""
"1536916","12.317","","10.946","","8.538","","90","","113.65","","90","","1054.43","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ba5 (Nb N4) N0.7","","- Ba5 N4.7 Nb -","- Ba5 N4.7 Nb -","- Ba20 N18.8 Nb4 -","4","0.5","","Reckeweg, O.; Lind, C.; Simon, A.; DiSalvo, F.","Reactions of alkaline earth metals and nitrogen in sealed niobium ampoules: the formation of Mg Zn2 type intermetallic phases in the presence of nitrogen and the new compound Ba5 (Nb N4) N","Journal of Alloys Compd.","2004","384","","98","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536918","8.609","","5.904","","11.673","","90","","105.74","","90","","571.062","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Cs Ca (H Se O4)3","","- Ca Cs H3 O12 Se3 -","- Ca Cs O12 Se3 -","- Ca2 Cs2 O24 Se6 -","2","0.5","","Zakharov, M.A.; Troyanov, S.I.; Kemnitz, E.","Calcium leaching from glass in selenic acid. The crystal structure of calcium hydrogen selenates: Ca (H Se O4)2 * H2 O and Cs Ca (H Se O4)3","Zhurnal Neorganicheskoi Khimii","2004","49","","1061","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536919","6.2338","","6.2338","","10.1001","","90","","90","","120","","339.909","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Yb Mg2","","- Mg2 Yb -","- Mg2 Yb -","- Mg8 Yb4 -","4","0.166667","","Reckeweg, O.; DiSalvo, F.; Simon, A.; Lind, C.","Reactions of alkaline earth metals and nitrogen in sealed niobium ampoules: the formation of Mg Zn2 type intermetallic phases in the presence of nitrogen and the new compound Ba5 (Nb N4) N","Journal of Alloys Compd.","2004","384","","98","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536920","5.839","","15.199","","8.163","","90","","91.99","","90","","724.005","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca (H Se O4)2 (H2 O)","","- Ca H4 O9 Se2 -","- Ca H4 O9 Se2 -","- Ca4 H16 O36 Se8 -","4","1","","Zakharov, M.A.; Troyanov, S.I.; Kemnitz, E.","Calcium leaching from glass in selenic acid. The crystal structure of calcium hydrogen selenates: Ca (H Se O4)2 * H2 O and Cs Ca (H Se O4)3","Zhurnal Neorganicheskoi Khimii","2004","49","","1061","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536921","6.6786","","6.6786","","10.6133","","90","","90","","120","","409.97","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Mg2 -","- Ba Mg2 -","- Ba4 Mg8 -","4","0.166667","","Reckeweg, O.; Lind, C.; Simon, A.; DiSalvo, F.","Reactions of alkaline earth metals and nitrogen in sealed niobium ampoules: the formation of Mg Zn2 type intermetallic phases in the presence of nitrogen and the new compound Ba5 (Nb N4) N","Journal of Alloys Compd.","2004","384","","98","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536923","6.2528","","6.2528","","10.1435","","90","","90","","120","","343.453","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ca Mg2 -","- Ca Mg2 -","- Ca4 Mg8 -","4","0.166667","","Reckeweg, O.; Lind, C.; Simon, A.; DiSalvo, F.","Reactions of alkaline earth metals and nitrogen in sealed niobium ampoules: the formation of Mg Zn2 type intermetallic phases in the presence of nitrogen and the new compound Ba5 (Nb N4) N","Journal of Alloys Compd.","2004","384","","98","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536924","10.1293","","10.1293","","10.1293","","90","","90","","90","","1039.29","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Si40.4 P5.6 I6.52","","- I6.52 P5.6 Si40.4 -","- I6.516 P5.6 Si40.4 -","- I6.516 P5.6 Si40.4 -","1","0.0208333","","Kovnir, K.A.; Uglov, A.N.; Zaikina, J.V.; Shevelkov, A.V.","Novel cationic clathrate: synthesis and structure of [Si40 P6] I6.5","Mendeleev Commun.","2004","4","","135","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","164824","2020-10-21","18:00:00",""
"1536925","27.7287","","4.97311","","13.93504","","90","","103.732","","90","","1866.68","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(C10 H8 N2)4 (Si12 O26)2","","- C40 H32 N8 O52 Si24 -","- C40 N8 O52 Si24 -","- C40 N8 O52 Si24 -","1","0.25","","Zanardi, S.; Brunelli, M.; Alberti, A.; Fornes, V.; Cruciani, G.; Corma, A.","Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1)","Angew. Chem. Int. ed.","2004","43","","4933","4937","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536926","6.3877","","6.3877","","10.3223","","90","","90","","120","","364.751","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Eu Mg2 -","- Eu Mg2 -","- Eu4 Mg8 -","4","0.166667","","Reckeweg, O.; Lind, C.; Simon, A.; DiSalvo, F.","Reactions of alkaline earth metals and nitrogen in sealed niobium ampoules: the formation of Mg Zn2 type intermetallic phases in the presence of nitrogen and the new compound Ba5 (Nb N4) N","Journal of Alloys Compd.","2004","384","","98","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536928","17.2569","","4.9881","","13.8482","","90","","106.091","","90","","1145.34","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Si O2","","- O2 Si -","- O2 Si -","- O48 Si24 -","24","6","","Zanardi, S.; Fornes, V.; Alberti, A.; Brunelli, M.; Corma, A.; Cruciani, G.","Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1)","Angew. Chem. Int. ed.","2004","43","","4933","4937","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536929","8.5965","","8.5965","","8.3871","","90","","90","","120","","536.767","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Yb1.787 Fe17.426","","- Fe17.426 Yb1.787 -","- Fe17.426 Yb1.787 -","- Fe34.852 Yb3.574 -","2","0.0833333","","Filinchuk, Y.E.; Yvon, K.; Cerny, R.; Birkedal, H.; Yanson, T.I.; Hostettler, M.; Bodak, O.I.","Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy","Chemistry - A European Journal","2004","10","","2972","2976","","","","","","","","","","","","","","","","","","","","","","has coordinates","164830","2020-10-21","18:00:00",""
"1536932","8.5965","","8.5965","","12.5806","","90","","90","","120","","805.147","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb1.26 Fe11.21 Ga0.27","","- Fe11.21 Ga0.27 Yb1.26 -","- Fe11.2111 Ga0.272667 Yb1.25813 -","- Fe33.6332 Ga0.818 Yb3.7744 -","3","0.125","","Filinchuk, Y.E.; Birkedal, H.; Cerny, R.; Hostettler, M.; Yanson, T.I.; Bodak, O.I.; Yvon, K.","Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy","Chemistry - A European Journal","2004","10","","2972","2976","","","","","","","","","","","","","","","","","","","","","","has coordinates","164834","2020-10-21","18:00:00",""
"1536957","7.496","","7.496","","4.3249","","90","","90","","90","","243.016","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Nd2 Ge2 In","","- Ge2 In Nd2 -","- Ge2 In Nd2 -","- Ge4 In2 Nd4 -","2","0.125","","Zaremba, V.I.; Kaczorowski, D.; Nychyporuk, G.; Poettgen, R.; Rodewald, U.C.","Structure and physical properties of RE2 Ge2 In (RE = La, Ce, Pr, Nd)","Solid State Sciences","2004","6","","1301","1306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536960","7.532","","7.532","","4.3469","","90","","90","","90","","246.604","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Pr2 Ge2 In","","- Ge2 In Pr2 -","- Ge2 In Pr2 -","- Ge4 In2 Pr4 -","2","0.125","","Zaremba, V.I.; Kaczorowski, D.; Nychyporuk, G.; Rodewald, U.C.; Poettgen, R.","Structure and physical properties of RE2 Ge2 In (RE = La, Ce, Pr, Nd)","Solid State Sciences","2004","6","","1301","1306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536962","7.7052","","7.7052","","4.474","","90","","90","","90","","265.622","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","La2.249 Mg0.751 Ge2","","- Ge2 La2.249 Mg0.751 -","- Ge2 La2.249 Mg0.751 -","- Ge4 La4.498 Mg1.502 -","2","0.125","","Kraft, R.; Poettgen, R.","Ternary germanides RE2 Ge2 Mg (RE = Y, La-Nd, Sm, Gd, Tb)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1327","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","164880","2020-10-21","18:00:00",""
"1536965","7.506","","7.506","","4.424","","90","","90","","90","","249.248","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Ce2 Mg Ge2","","- Ce2 Ge2 Mg -","- Ce2 Ge2 Mg -","- Ce4 Ge4 Mg2 -","2","0.125","","Kraft, R.; Poettgen, R.","Ternary germanides RE2 Ge2 Mg (RE = Y, La-Nd, Sm, Gd, Tb)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1327","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536968","7.457","","7.457","","4.392","","90","","90","","90","","244.225","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Pr2 Mg Ge2","","- Ge2 Mg Pr2 -","- Ge2 Mg Pr2 -","- Ge4 Mg2 Pr4 -","2","0.125","","Kraft, R.; Poettgen, R.","Ternary germanides RE2 Ge2 Mg (RE = Y, La-Nd, Sm, Gd, Tb)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2004","135","","1327","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536993","11.6993","","7.2872","","13.845","","90","","112.303","","90","","1092.06","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pr2 (Cl O4)2 (H2 I2 O10) (H2 O)8","","- Cl2 H18 I2 O26 Pr2 -","- Cl2 H2 I2 O26 Pr2 -","- Cl4 H4 I4 O52 Pr4 -","2","0.5","","Fischer, A.","Three modifications of (Pr2 (Cl O4)2 (H2 I2 O10)) * 8(H2 O) - a theme with variations","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","309","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536995","13.3363","","13.3363","","9.072","","90","","90","","90","","1613.52","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Dy10 Ni9.32 In20","","- Dy10 In20 Ni9.32 -","- Dy10 In20 Ni9.317 -","- Dy20 In40 Ni18.634 -","2","0.125","","Zaremba, V.I.; Muts, I.R.; Hlukhyy, V.; Rodewald, U.C.; Poettgen, R.","Syntheses and structures of RE10 Ni(9+x) In20 (RE = Tb, Dy) and Yb Ni In2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1903","1907","","","","","","","","","","","","","","","","","","","","","","has coordinates","164921","2020-10-21","18:00:00",""
"1536996","10.9147","","7.2824","","13.8884","","90","","101.42","","90","","1082.07","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pr2 (Cl O4)2 (H2 I2 O10) (H2 O)8","","- Cl2 H18 I2 O26 Pr2 -","- Cl2 I2 O26 Pr2 -","- Cl4 I4 O52 Pr4 -","2","0.5","","Fischer, A.","Three modifications of (Pr2 (Cl O4)2 (H2 I2 O10)) * 8(H2 O) - a theme with variations","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","309","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536998","13.369","","13.369","","9.097","","90","","90","","90","","1625.91","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Tb10 Ni9.34 In20","","- In20 Ni9.34 Tb10 -","- In20 Ni9.337 Tb10 -","- In40 Ni18.674 Tb20 -","2","0.125","","Zaremba, V.I.; Muts, I.R.; Rodewald, U.C.; Hlukhyy, V.; Poettgen, R.","Syntheses and structures of RE10 Ni(9+x) In20 (RE = Tb, Dy) and Yb Ni In2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1903","1907","","","","","","","","","","","","","","","","","","","","","","has coordinates","164925","2020-10-21","18:00:00",""
"1536999","12.0956","","7.1253","","13.6164","","90","","115.691","","90","","1057.52","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pr2 (Cl O4)2 (H2 I2 O10) (H2 O)8","","- Cl2 H18 I2 O26 Pr2 -","- Cl2 I2 O26 Pr2 -","- Cl4 I4 O52 Pr4 -","2","0.5","","Fischer, A.","Three modifications of (Pr2 (Cl O4)2 (H2 I2 O10)) * 8(H2 O) - a theme with variations","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","309","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537001","4.3067","","10.33","","7.581","","90","","90","","90","","337.265","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Yb Ni In2","","- In2 Ni Yb -","- In2 Ni Yb -","- In8 Ni4 Yb4 -","4","0.25","","Zaremba, V.I.; Muts, I.R.; Poettgen, R.; Rodewald, U.C.; Hlukhyy, V.","Syntheses and structures of RE10 Ni(9+x) In20 (RE = Tb, Dy) and Yb Ni In2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1903","1907","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537024","10.011","","7.657","","12.03","","90","","96.85","","90","","915.568","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Fe (C (N H2)3)2 (S O4)2 (H2 O)6","","- C2 H24 Fe N6 O14 S2 -","- C2 H24 Fe N6 O14 S2 -","- C4 H48 Fe2 N12 O28 S4 -","2","0.5","","Fleck, M.; Bohaty, L.; Tillmanns, E.","Structural characterisation of MII guanidinium sulphate hydrates (MII= Mn, Fe, Co, Ni, Cd, V O)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537028","6.364","","6.423","","9.944","","90.06","","97.04","","110.05","","378.553","","","","","","","","","","","","","6","P -1","-P 1","2","","(C (N H2)3)2 Mn (S O4)2 (H2 O)4","","- C2 H20 Mn N6 O12 S2 -","- C2 H20 Mn N6 O12 S2 -","- C2 H20 Mn N6 O12 S2 -","1","0.5","","Fleck, M.; Tillmanns, E.; Bohaty, L.","Structural characterisation of MII guanidinium sulphate hydrates (MII=Mn,Fe,Co,Ni,Cd,VO)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537032","10.088","","7.648","","12.02","","90","","96.95","","90","","920.565","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(C (N H2)3)2 Co (S O4)2 (H2 O)6","","- C2 H24 Co N6 O14 S2 -","- C2 H24 Co N6 O14 S2 -","- C4 H48 Co2 N12 O28 S4 -","2","0.5","","Fleck, M.; Bohaty, L.; Tillmanns, E.","Structural characterisation of MII guanidinium sulphate hydrates (MII=Mn,Fe,Co,Ni,Cd,VO)","Solid State Sciences","2004","6","","469","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537047","28.172","","29.183","","40.094","","90","","90","","90","","32963","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- In22 Li4 O33 S42 -","- In21.994 Li4.007 O33 S42 -","- In175.952 Li32.056 O264 S336 -","8","1","","Zheng Nanfeng; Feng Pingyun; Bu Xianhui","Pentasupertetrahedral clusters as buildung blocks for a three-dimensional sulfide superlattice","Angewandte Chemie (Edition international)","2004","43","","4753","4755","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537069","4.365","","9.834","","12.827","","90","","90","","90","","550.604","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Yb3 Cu6 Sn5","","- Cu6 Sn5 Yb3 -","- Cu6 Sn5 Yb3 -","- Cu12 Sn10 Yb6 -","2","0.125","","Fornasini, M.L.; Manfrinetti, P.; Zanicchi, G.; Riani, P.; Mazzone, D.","Yb3 Cu6 Sn5, Yb5 Cu11 Sn8 and Yb2 Cu8 Sn4: crystal structure of three ordered compounds","Journal of Solid State Chemistry","2004","177","","1919","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","165052","2020-10-21","18:00:00",""
"1537072","4.4267","","22.657","","9.321","","90","","90","","90","","934.857","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Yb5 Cu11 Sn8","","- Cu11 Sn8 Yb5 -","- Cu11 Sn8 Yb5 -","- Cu22 Sn16 Yb10 -","2","0.25","","Fornasini, M.L.; Zanicchi, G.; Manfrinetti, P.; Mazzone, D.; Riani, P.","Yb3 Cu6 Sn5, Yb5 Cu11 Sn8 and Yb2 Cu8 Sn4: crystal structure of three ordered compounds","Journal of Solid State Chemistry","2004","177","","1919","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","165056","2020-10-21","18:00:00",""
"1537097","24.136","","4.3118","","11.0169","","90","","91.683","","90","","1146.03","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Eu3 Ga4 Ge6 -","- Eu3 Ga4 Ge6 -","- Eu12 Ga16 Ge24 -","4","0.5","","Zhuraleva, M.A.; Salvador, J.; Bilc, D.; Kannewurf, C.R.; Mahanti, S.D.; Ireland, J.; Kanatzidis, M.G.","Intermetallics as zintl phases: Yb2 Ga4 Ge6 and RE3 Ga4 Ge6 (RE= Yb, Eu): Structural response of a [Ga4 Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537099","4.1698","","23.254","","10.7299","","90","","90","","90","","1040.42","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ga4 Ge6 Yb2 -","- Ga4 Ge6 Yb2 -","- Ga16 Ge24 Yb8 -","4","0.5","","Zhuraleva, M.A.; Kannewurf, C.R.; Salvador, J.; Ireland, J.; Mahanti, S.D.; Bilc, D.; Kanatzidis, M.G.","Intermetallics as zintl phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE= Yb, Eu): Structural response of a [Ga4Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537100","11.0152","","11.0152","","23.8625","","90","","90","","120","","2507.45","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Si10.05 B304.32 C3.51","","- C3.51 B304.32 Si10.05 -","- C3.51 B304.326 Si10.05 -","- C3.51 B304.326 Si10.05 -","1","0.0277778","","Roger, J.; Guerin, R.; Babizhetskyy, V.; Halet, J.F.","Boron-silicon solid solution: synthesis and crystal structure of a carbon-doped boron-rich Si B(n) (n= 30) compound","Journal of Solid State Chemistry","2004","177","","4167","4174","","","","","","","","","","","","","","","","","","","","","","has coordinates","165112","2020-10-21","18:00:00",""
"1537102","23.941","","4.1928","","10.918","","90","","91.426","","90","","1095.61","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ga4 Ge6 Yb3 -","- Ga4 Ge6 Yb3 -","- Ga16 Ge24 Yb12 -","4","0.5","","Zhuraleva, M.A.; Salvador, J.; Bilc, D.; Mahanti, S.D.; Ireland, J.; Kanatzidis, M.G.; Kannewurf, C.R.","Intermetallics as zintl phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE= Yb, Eu): Structural response of a [Ga4Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537127","10.5503","","10.5503","","4.2182","","90","","90","","120","","406.619","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Ba.559 Ca0.025 Br.028 Cl.139 F","","- Ba0.559 Br0.028 Ca0.025 Cl0.139 F -","- Ba0.558733 Br0.028 Ca0.0246 Cl0.138667 F -","- Ba6.7048 Br0.336 Ca0.2952 Cl1.664 F12 -","12","1","","Fruehmann, B.; Kubel, F.; Hagemann, H.; Bill, H.","Synthesis and structure of the new fluoride bromide Ba6.668(2) Ca0.332(2) F12 Br2 and solid solutions with composition Ba(7-x) Ca(x) F12 (Cl(y) Br(1-y))2 with x = 0.5, 0 < y < 1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1484","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537131","10.5381","","10.5381","","4.2121","","90","","90","","120","","405.092","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba.558 Ca.025 Cl.1667 F","","- Ba0.558 Ca0.025 Cl0.1667 F -","- Ba0.558367 Ca0.0249667 Cl0.166667 F -","- Ba6.7004 Ca0.2996 Cl2 F12 -","12","1","","Fruehmann, B.; Kubel, F.; Hagemann, H.; Bill, H.","Synthesis and structure of the new fluoride bromide Ba6.668(2) Ca0.332(2) F12 Br2 and solid solutions with composition Ba(7-x) Ca(x) F12 (Cl(y) Br(1-y))2 with x = 0.5, 0 < y < 1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1484","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537134","10.5717","","10.5717","","4.2381","","90","","90","","120","","410.196","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Ba.557 Ca.026 Br.076 Cl.091 F","","- Ba0.557 Br0.076 Ca0.026 Cl0.091 F -","- Ba0.557183 Br0.0758333 Ca0.02615 Cl0.0908333 F -","- Ba6.6862 Br0.91 Ca0.3138 Cl1.09 F12 -","12","1","","Fruehmann, B.; Kubel, F.; Hagemann, H.; Bill, H.","Synthesis and structure of the new fluoride bromide Ba6.668(2) Ca0.332(2) F12 Br2 and solid solutions with composition Ba(7-x) Ca(x) F12 (Cl(y) Br(1-y))2 with x = 0.5, 0 < y < 1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1484","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537137","10.6129","","10.6129","","4.2817","","90","","90","","120","","417.652","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba.555 Ca0.029 Br.1667 F","","- Ba0.555 Br0.1667 Ca0.029 F -","- Ba0.55475 Br0.166667 Ca0.0285833 F -","- Ba6.657 Br2 Ca0.343 F12 -","12","1","","Fruehmann, B.; Kubel, F.; Hagemann, H.; Bill, H.","Synthesis and structure of the new fluoride bromide Ba6.668(2) Ca0.332(2) F12 Br2 and solid solutions with composition Ba(7-x) Ca(x) F12 (Cl(y) Br(1-y))2 with x = 0.5, 0 < y < 1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1484","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537140","10.5885","","10.5885","","4.2713","","90","","90","","120","","414.724","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba0.5533 Ca0.03 Br0.1667 F","","- Ba0.5533 Br0.1667 Ca0.03 F -","- Ba0.553033 Br0.166667 Ca0.0303 F -","- Ba6.6364 Br2 Ca0.3636 F12 -","12","1","","Fruehmann, B.; Kubel, F.; Hagemann, H.; Bill, H.","Synthesis and Structure of the new Fluoride Bromide Ba6.668(2)Ca0.332(2)F12Br2 and Solid Solutions with Composition Ba7-xCaxF12(ClyBr1-y)2 with x = 0.5, 0 < y < 1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1484","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537178","6.433","","6.536","","6.515","","66.4","","82.7","","87.5","","248.977","","","","","","","","","","","","","4","P -1","-P 1","2","","Ca Ni (P2 O7)","","- Ca Ni O7 P2 -","- Ca Ni O7 P2 -","- Ca2 Ni2 O14 P4 -","2","1","","Funke, M.; Blum, M.; Glaum, R.; ElBali, B.","Darstellung, Kristallstruktur und spektroskopische Charakterisierung von Ni P4 O11 und Ca Ni P2 O7","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1040","1047","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537181","12.753","","12.957","","10.581","","89.42","","116.96","","90.2","","1558.32","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Ni (P4 O11)","","- Ni O11 P4 -","- Ni O11 P4 -","- Ni8 O88 P32 -","8","","","Funke, M.; Blum, M.; Glaum, R.; ElBali, B.","Darstellung, Kristallstruktur und spektroskopische Charakterisierung von Ni P4 O11 und Ca Ni P2 O7","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1040","1047","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537218","12.102","","12.102","","14.542","","90","","90","","90","","2129.8","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ce12 Pt7 In","","- Ce12 In Pt7 -","- Ce12 In Pt7 -","- Ce48 In4 Pt28 -","4","0.125","","Galadzhun, Ya.V.; Zaremba, V.I.; Davydov, V.M.; Stepien-Damm, J.; Kal'ichak, Ya.M.; Pikul, A.P.; Kaczorowski, D.","R12 Pt7 In (R= Ce, Pr, Nd, Gd, Ho) - New Derivatives of the Gd3Ga2-type","Journal of Solid State Chemistry","2004","177","","17","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537244","3.969","","12.786","","8.597","","90","","90","","90","","436.277","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cu Bi S Cl2","","- Bi Cl2 Cu S -","- Bi Cl2 Cu S -","- Bi4 Cl8 Cu4 S4 -","4","0.25","","Ruck, M.; Poudeu Poudeu, P.F.; Soehnel, T.","Synthese, Kristallstruktur und elektronische Bandstruktur der isotypen Sulfidchloride Cu Bi S Cl2 und Ag Bi S Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","63","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537266","21.213","","21.213","","8.6","","90","","90","","120","","3351.45","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Pt Cl3","","- Cl3 Pt -","- Cl3 Pt -","- Cl108 Pt36 -","36","2","","von Schnering, H.G.; Thiele, G.; Freiberg, M.; Chang Jenhui; Peters, E.M.; Ormeci, A.; Peters, K.; Roehr, C.; Schroeder, L.","Structure and bonding of the mixed-valent platinum trihalides, Pt Cl3 and Pt Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537270","22.318","","22.318","","9.034","","90","","90","","120","","3896.92","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Pt Br3","","- Br3 Pt -","- Br3 Pt -","- Br108 Pt36 -","36","2","","von Schnering, H.G.; Peters, K.; Freiberg, M.; Chang Jenhui; Ormeci, A.; Roehr, C.; Peters, E.M.; Thiele, G.; Schroeder, L.","Structure and bonding of the mixed-valent platinum trihalides, Pt Cl3 and Pt Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537280","14.7749","","14.7749","","11.189","","90","","90","","90","","2442.53","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- H8 Li3 Mo9 O41 S8 -","- H8 Li3 Mo9 O41 S8 -","- H16 Li6 Mo18 O82 S16 -","2","0.125","","du Peloux, C.; Secheresse, F.; Barboux, P.; Laurent, G.; Dolbecq, A.; Marrot, J.","Octanuclear Oxothiomolybdate (V) Rings: Structure and Ionic Conducting Properties","Chemistry - A European Journal","2004","10","","3026","3032","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537281","27.5965","","27.5965","","38.2572","","90","","90","","90","","29135.4","","","","","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Na7 Mn4 Fe6 ((Mo2 O4)3 (H P O4)2 (P O4)2 (O H)3)4 (P O4) (H2 O)40","","- Fe6 Mn4 Mo24 Na7 O164 P17 -","- Fe6 Mn4 Mo24 Na7 O164 P17 -","- Fe48 Mn32 Mo192 Na56 O1312 P136 -","8","0.25","","du Peloux, C.; Mialane, P.; Dolbecq, A.; Marrot, J.; Varret, F.; Secheresse, F.","Three-dimensional Mn/Fe molybdenum(V) phosphates","Solid State Sciences","2004","6","","719","724","","","","","","","","","","","","","","","","","","","","","","has coordinates","165331","2020-10-21","18:00:00",""
"1537338","8.6468","","8.6468","","23.9436","","90","","90","","120","","1550.35","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba0.5 Zr2 (P O4)3","","- Ba0.5 O12 P3 Zr2 -","- Ba0.5 O12 P3 Zr2 -","- Ba3 O72 P18 Zr12 -","6","0.333333","","Gobechiya, E.R.; Kabalov, Yu.K.; Pet'kov, V.I.; Sukhanov, M.V.","Crystal structures of double cesium zirconium and barium zirconium orthophosphates","Kristallografiya","2004","49","","829","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","165429","2020-10-21","18:00:00",""
"1537339","8.5758","","8.5758","","24.9061","","90","","90","","120","","1586.3","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Cs Zr2 (P O4)3","","- Cs O12 P3 Zr2 -","- Cs O12 P3 Zr2 -","- Cs6 O72 P18 Zr12 -","6","0.166667","","Gobechiya, E.R.; Sukhanov, M.V.; Kabalov, Yu.K.; Pet'kov, V.I.","Crystal structures of double cesium zirconium and barium zirconium orthophosphates","Kristallografiya","2004","49","","829","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537342","10.821","","10.821","","6.753","","90","","90","","120","","684.798","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Na7 (S O4)3 (Sn F3)","","- F3 Na7 O12 S3 Sn -","- F3 Na7 O12 S3 Sn -","- F6 Na14 O24 S6 Sn2 -","2","0.166667","","Gorbunova, Yu.E.; Detkov, D.G.; Kokunov, Yu.V.","Synthesis and structure of Na7 (S O4)3 Sn F3: complex anion (Sn F3)- in a cationic sodium-sulfate framework","Zhurnal Neorganicheskoi Khimii","2004","49","","1459","1462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537347","3.2","","3.2","","5.1","","90","","90","","120","","45.227","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Al2 O C","","- C Al2 O -","- C Al2 O -","- C Al2 O -","1","0.0833333","","Grass, V.E.; Sitnikov, P.A.; Ryabkov, Yu.I.; Goldin, B.A.","X-ray diffraction study of the aluminium monoxycarbide","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","103","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537349","10.797","","10.492","","16.121","","90","","90.61","","90","","1826.12","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 (Np O2)2 (Cr O4)3 (H2 O)4","","- Cr3 H8 K2 Np2 O20 -","- Cr3 H6 K2 Np2 O20 -","- Cr12 H24 K8 Np8 O80 -","4","1","","Grigor'ev, M.S.; Fedoseev, A.M.; Budantseva, N.A.; Bessonov, A.A.; Krupa, J.C.","Synthesis and X-ray diffraction study of complex neptunium (VI) potassium chromate K2 ((Np O2)2 (CrO4)3 (H2O)) * 3H2 O","Kristallografiya","2004","49","","676","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537352","11.2499","","7.9641","","13.3899","","90","","99.926","","90","","1181.71","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(Ir (N H3)5 Cl)2 (Re Cl6) Cl2","","- Cl10 H30 Ir2 N10 Re -","- Cl10 H30 Ir2 N10 Re -","- Cl20 H60 Ir4 N20 Re2 -","2","0.25","","Gromilov, S.A.; Korenev, S.V.; Korolkov, I.V.; Iusenko, K.V.; Baidina, I.A.","Synthesis and nonequilibrium solid solutions Irx Re1-x. Crystal structure of the (Ir (N H3)5 Cl)2 (Re Cl6) Cl2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","508","515","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1537455","11.2377","","7.9615","","13.3856","","90","","100.046","","90","","1179.23","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(Rh (N H3)5 Cl)2 (Re Cl6) Cl2","","- Cl10 H30 N10 Re Rh2 -","- Cl10 H30 N10 Re Rh2 -","- Cl20 H60 N20 Re2 Rh4 -","2","0.25","","Iusenko, K.V.; Gromilov, S.A.; Romanenko, G.V.; Korol'kov, I.V.; Baidina, I.A.; Korenev, S.V.","Double complex salts (Rh (N H3)5 Cl)2 (M Cl6) Cl2 (M= Re, Os): synthesis and crystal structure","Zhurnal Neorganicheskoi Khimii","2004","49","","568","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1537456","11.1946","","7.9203","","13.3954","","90","","99.881","","90","","1170.08","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(Rh (N H3)5 Cl)2 (Os Cl6) Cl2","","- Cl10 H30 N10 Os Rh2 -","- Cl10 H30 N10 Os Rh2 -","- Cl20 H60 N20 Os2 Rh4 -","2","0.25","","Iusenko, K.V.; Romanenko, G.V.; Gromilov, S.A.; Korenev, S.V.; Baidina, I.A.; Korol'kov, I.V.","Double complex salts (Rh (N H3)5 Cl)2 (M Cl6) Cl2 (M= Re, Os): synthesis and crystal structure","Zhurnal Neorganicheskoi Khimii","2004","49","","568","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1537457","5.637","","5.54","","11.69","","90","","102.7","","90","","356.135","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Gd H (B2 O5)","","- B2 Gd H O5 -","- B2 Gd H O5 -","- B8 Gd4 H4 O20 -","4","1","","Ivanova, A.G.; Belokoneva, E.L.; Dimitrova, O.V.","New condensed acid diborate Gd H (B2 O5) with a chain radical (B2 B2 O10): synthesis and crystal structure. Diborates and their structural system in terms of the OD theory","Zhurnal Neorganicheskoi Khimii","2004","49","","897","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537458","5.6828","","8.6857","","4.7554","","90","","90","","90","","234.722","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Cu (N H4) (P O4) (H2 O)","","- Cu H6 N O5 P -","- Cu H6 N O5 P -","- Cu2 H12 N2 O10 P2 -","2","0.5","","Ivashkevich, L.S.; Shul'ga, N.V.; Lyakhov, A.S.","Orthorhombic modification of Cu N H4 P O4 * H2 O: synthesis and crystal structure","Zhurnal Neorganicheskoi Khimii","2004","49","","751","756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537502","6.705","","9.601","","13.272","","104.21","","91.58","","106.4","","790.218","","","","","","","","","","","","","3","P -1","-P 1","2","","Na2 (B4 O7)","","- B4 Na2 O7 -","- B4 Na2 O7 -","- B24 Na12 O42 -","6","3","","Kanishcheva, A.S.; Egorysheva, A.V.; Mikhailov, Yu.N.; Kargin, Yu.F.; Gorbunova, Yu.E.; Skorikov, V.M.","Crystal structure of the metastable polymorph gamma-Na2 (B2 O3)2","Zhurnal Neorganicheskoi Khimii","2004","49","","1006","1011","","","","","","","","","","","","","","","","","","","","","","has coordinates","165703","2020-10-21","18:00:00",""
"1537521","11.338","","9.981","","15.675","","90","","90","","90","","1773.85","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","((C H3)2 N H2)2 Cu Cl4 ((C H3)2 N H2) Cl","","- C6 H24 Cl5 Cu N3 -","- C6 H24 Cl5 Cu N3 -","- C24 H96 Cl20 Cu4 N12 -","4","1","","Kirpichnikova, L.F.; Pietraszko, A.; Bednarski, W.; Sheleg, A.U.; Waplak, S.","Crystal structure and phase transitions in the new crystals of ((C H3)2 N H2)2 Cu Cl4 ((C H3)2 N H2) Cl","Kristallografiya","2004","49","","92","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537537","15.783","","15.783","","15.783","","90","","90","","90","","3931.59","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Na Ba4 (B O3)3","","- B3 Ba4 Na O9 -","- B3 Ba4 Na O9 -","- B48 Ba64 Na16 O144 -","16","0.166667","","Kokh, A.E.; Kononova, N.G.; Maksimov, B.A.; Bekker, T.B.; Kuznetsov, S.V.; Furmanova, N.G.; Bolotina, N.B.; Sul'yanov, S.N.; Tkachenko, E.A.; Fedorov, P.P.; Sobol', A.A.; Kargin, Yu.F.","New sodium barium orthoborate Na Ba4 (B O3)3","Zhurnal Neorganicheskoi Khimii","2004","49","","1078","1082","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537538","6.045","","7.704","","8.025","","100.9","","94.01","","103.78","","353.825","","","","","","","","","","","","","6","P -1","-P 1","2","","(N H3 (C H2)2 N H3)0.5 (Sn F (C2 O4)) (H2 O)","","- C3 H7 F N O5 Sn -","- C3 H7 F N O5 Sn -","- C6 H14 F2 N2 O10 Sn2 -","2","1","","Kokunov, Yu.V.; Gorbunova, Yu.E.; Detkov, D.G.","Tin(II) oxalate and oxalatofluoride polymeric compounds. Synthesis and crystal structure of (H3 N (C H2)2 N H3)0.5 (Sn F (C2 O4)) * (H2 O) and (H3 N (C H2)2 N H3) (Sn2 (C2 O4)3) * 0.5(H2 O)","Zhurnal Neorganicheskoi Khimii","2004","49","","1094","1100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537539","10.161","","6.141","","14.165","","90","","110.11","","90","","829.991","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(N H3 (C H2)2 N H3) (Sn2 (C2 O4)3) (H2 O)","","- C8 H12 N2 O13 Sn2 -","- C8 H10 N2 O13 Sn2 -","- C16 H20 N4 O26 Sn4 -","2","0.5","","Kokunov, Yu.V.; Gorbunova, Yu.E.; Detkov, D.G.","Tin(II) oxalate and oxalatofluoride polymeric compounds. Synthesis and crystal structure of (H3 N (C H2)2 N H3)0.5 (Sn F (C2 O4)) * (H2 O) and (H3 N (C H2)2 N H3) (Sn2 (C2 O4)3) * 0.5(H2 O)","Zhurnal Neorganicheskoi Khimii","2004","49","","1094","1100","","","","","","","","","","","","","","","","","","","","","","has coordinates","165757","2020-10-21","18:00:00",""
"1537552","10.1909","","9.5857","","14.2741","","90","","90","","90","","1394.39","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","U (Mo2 O8)","","- Mo2 O8 U -","- Mo2 O8 U -","- Mo16 O64 U8 -","8","1","","Krivovichev, S.V.; Berns, P.C.","Gamma-U Mo2 O8 - a new polymorph of uranium(IV) dimolybdate","Doklady Akad. Nauk","2004","394","","761","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537553","9.203","","6.232","","9.557","","90","","91.97","","90","","547.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu5 O (Se O3) Cl5","","- Cl5 Cu5 O4 Se -","- Cl5 Cu5 O4 Se -","- Cl10 Cu10 O8 Se2 -","2","0.5","","Krivovichev, S.V.; Filatov, S.K.; Armbruster, T.; Pankratova, O.Yu.","Crystal structure of Cu(I) Cu(II)4O (Se O3) Cl5 - a new mixed-valence copper(I/II) compound","Doklady Akad. Nauk","2004","399","","356","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537554","8.1511","","10.5502","","13.9784","","90","","90","","90","","1202.08","","","","","","","","","","","","","8","I m m a","-I 2b 2","74","","Na (K0.8 Ba0.1 Na0.1)2 (Ti0.7 Nb0.25 Fe0.05)2 (Si2 O7)2","","- Ba0.2 Fe0.1 K1.6 Na1.2 Nb0.5 O14 Si4 Ti1.4 -","- Ba0.2 Fe0.1 K1.6 Na1.2 Nb0.5 O14 Si4 Ti1.4 -","- Ba0.8 Fe0.4 K6.4 Na4.8 Nb2 O56 Si16 Ti5.6 -","4","0.25","","Krivovichev, S.V.; Yakovenchuk, V.N.; Pakhomovskii, Ya.A.","Topology and symmetry of titanosilicate framework in the crystal structure of shcherbakovite, Na (K, Ba)2 (Ti, Nb)2 O2 (Si4 O12)","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2004","2004","","55","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","165783","2020-10-21","18:00:00",""
"1537555","11.209","","7.041","","12.22","","90","","113.01","","90","","887.7","","","","","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","Pb (Si O3)","","- O3 Pb Si -","- O3 Pb Si -","- O36 Pb12 Si12 -","12","3","","Krivovichev, S.V.; Burns, P.C.","Crystal structure of synthetic alamosite Pb (Si O3)","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2004","2004","","70","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537563","10.3501","","10.3501","","20.4296","","90","","90","","90","","2188.51","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Mg (H2 O)6) (H2 P O2)2","","- H16 Mg O10 P2 -","- H16 Mg O10 P2 -","- H128 Mg8 O80 P16 -","8","0.25","","Kuratieva, N.V.; Naumova, M.I.; Podberezskaya, N.V.; Naumov, D.Yu.","The synthesis and crystal structure of two polymorphs of hexaaquamagnesium(II) hypophosphite","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","296","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537564","3.939","","3.939","","3.939","","90","","90","","90","","61.116","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(La0.83 Sr0.17) Ru O2.94","","- La0.83 O2.94 Ru Sr0.17 -","- La0.83 O2.94 Ru Sr0.17 -","- La0.83 O2.94 Ru Sr0.17 -","1","0.0208333","","Kuz'micheva, G.M.; Kokunova, V.N.; Mitin, A.V.; Kostyleva, I.E.; Khlybov, E.P.; Andreenko, A.S.","Perovskite-like phases based on ruthenium: synthesis, structure, properties","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","246","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537565","3.9283","","3.9283","","3.9283","","90","","90","","90","","60.62","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Sr0.84 La0.16) (Ru O3)","","- La0.16 O3 Ru Sr0.84 -","- La0.16 O3 Ru Sr0.84 -","- La0.16 O3 Ru Sr0.84 -","1","0.0208333","","Kuz'micheva, G.M.; Kokunova, V.N.; Mitin, A.V.; Andreenko, A.S.; Kostyleva, I.E.; Khlybov, E.P.","Perovskite-like phases based on ruthenium: synthesis, structure, properties","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","246","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537566","3.94","","3.94","","3.94","","90","","90","","90","","61.163","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Sr0.76 La0.24) Ru0.96 O2.7","","- La0.24 O2.7 Ru0.96 Sr0.76 -","- La0.24 O2.7 Ru0.96 Sr0.76 -","- La0.24 O2.7 Ru0.96 Sr0.76 -","1","0.0208333","","Kuz'micheva, G.M.; Kokunova, V.N.; Mitin, A.V.; Kostyleva, I.E.; Khlybov, E.P.; Andreenko, A.S.","Perovskite-like phases based on ruthenium: synthesis, structure, properties","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","246","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","165801","2020-10-21","18:00:00",""
"1537567","3.991","","3.991","","3.991","","90","","90","","90","","63.569","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Sr0.78 La0.22) Ru O2.96","","- La0.22 O2.96 Ru Sr0.78 -","- La0.22 O2.88 Ru Sr0.78 -","- La0.22 O2.88 Ru Sr0.78 -","1","0.0208333","","Kuz'micheva, G.M.; Kokunova, V.N.; Mitin, A.V.; Kostyleva, I.E.; Khlybov, E.P.; Andreenko, A.S.","Perovskite-like phases based on ruthenium: synthesis, structure, properties","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","246","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537592","25.2015","","25.2015","","3.3007","","90","","90","","120","","1815.47","","","","","","","","","","","","","3","P -6","P -6","174","","V3.2 Mo8.8 P7","","- Mo8.8 P7 V3.2 -","- Mo8.78571 P7 V3.21429 -","- Mo61.5 P49 V22.5 -","7","1.16667","","Lomnitskaya, Ya.F.; Guerin, R.; Kuz'ma, Yu.B.; Orishchin, S.V.; Babizhet'sky, V.S.","Crystal structure of (V, Mo)84 P49","Neorganicheskie Materialy","2004","40","","804","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","165856","2020-10-21","18:00:00",""
"1538332","5.202","","8.312","","14.394","","90","","90.02","","90","","622.382","","","","","","","","","","","","","5","A 1 2 1","A 2y","5","","La3 Sb Zn3 Ge2 O14","","- Ge2 La3 O14 Sb Zn3 -","- Ge2 La3 O14 Sb Zn3 -","- Ge4 La6 O28 Sb2 Zn6 -","2","0.5","","Maksimov, B.A.; Kasantsev, S.S.; Molchanov, V.N.; Verin, I.A.; Mill, B.V.","Crystal structure and microtwinning of monoclinic La3SbZn3Ge2O14 crystals of the langasite family","Kristallografiya","2004","49","","662","667","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538337","10.859","","10.859","","37.928","","90","","90","","120","","3873.2","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Ca8 Bi) (Ca0.5 Zn0.5) (V O4)7","","- Bi Ca8.5 O28 V7 Zn0.5 -","- Bi1.059 Ca8.441 O28 V7 Zn0.5 -","- Bi6.354 Ca50.646 O168 V42 Zn3 -","6","0.333333","","Malakho, A.P.; Vorontsova, O.L.; Lazoryak, B.I.; Morozov, V.A.; Stefanovich, S.Yu.","Ferroelectric and nonlinear properties of Ca9-x Znx Bi (V O4)7 vanadates","Zhurnal Neorganicheskoi Khimii","2004","49","","165","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538339","10.8451","","10.8451","","37.867","","90","","90","","120","","3857.08","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(Ca8 Bi) Zn (V O4)7","","- Bi Ca8 O28 V7 Zn -","- Bi1.017 Ca7.983 O28 V7 Zn -","- Bi6.102 Ca47.898 O168 V42 Zn6 -","6","0.333333","","Malakho, A.P.; Lazoryak, B.I.; Vorontsova, O.L.; Morozov, V.A.; Stefanovich, S.Yu.","Ferroelectric and nonlinear properties of Ca9-x Znx Bi (V O4)7 vanadates","Zhurnal Neorganicheskoi Khimii","2004","49","","165","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538357","7.4818","","11.5363","","3.9416","","90","","90","","90","","340.209","","","","","","","","","","","","","4","C m m a","-C 2a 2","67","","(N H4) (H2 P O2)","","- H6 N O2 P -","- H6 N O2 P -","- H24 N4 O8 P4 -","4","0.25","","Naumova, M.I.; Podberezskaya, N.V.; Kuratieva, N.V.; Naumov, D.Yu.","Synthesis and crystal structures of anhydrous hypophosphites of lithium and ammonium","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","491","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538406","12.6679","","17.4524","","9.7882","","90","","105.57","","90","","2084.61","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","((Mn (H2 O)2 ((H3 C)2 N C H O))2 (Re (C N))6 Te8) (H2 O)","","- C12 H24 Mn2 N8 O7 Re6 Te8 -","- C12 Mn2 N8 O7 Re6 Te8 -","- C24 Mn4 N16 O14 Re12 Te16 -","2","0.5","","Mironov, Yu.V.; Gatilov, Yu.V.; Solodovnikov, S.F.; Fedorov, V.E.","New cyanobridged framework coordination polymer based on octahedral rhenium cluster (Re6 Te8 (C N)6)4-: synthesis and crystal structure of ((Mn (H2 O)2 (D M F))2 Re6 Te8 (C N)6)2 (H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","918","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538412","14.496","","8.712","","24.069","","90","","103.76","","90","","2952.42","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","((N H2) C O N (C H3)2)2 (U O2) (S O4)","","- C6 H16 N4 O8 S U -","- C6 H16 N4 O8 S U -","- C48 H128 N32 O64 S8 U8 -","8","2","","Mit'kovskaya, E.V.; Mikhailov, Yu.N.; Serezhkin, V.N.; Gorbunova, Yu.E.; Serezhkina, L.B.","X-ray diffraction study of (U O2 (S O4) (N H2 C O N (C H3)2)2)","Zhurnal Neorganicheskoi Khimii","2004","49","","2074","2079","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538444","9.348","","9.348","","3.5755","","90","","90","","120","","270.586","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Zr2 Mn12 P7","","- Mn12 P7 Zr2 -","- Mn12 P7 Zr2 -","- Mn12 P7 Zr2 -","1","0.0833333","","Orishchin, S.V.; Guerin, R.; Zhak, O.V.; Deputier, S.; le Senechal, C.","Crystal structures of Zr2 Mn12 P7 and (Mo, Mn)12 P7","Neorganicheskie Materialy","2004","40","","709","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","166994","2020-10-21","18:00:00",""
"1538445","9.3242","","9.3242","","3.3807","","90","","90","","120","","254.543","","","","","","","","","","","","","3","P -6","P -6","174","","Mo6.54 Mn5.46 P7","","- Mn5.46 Mo6.54 P7 -","- Mn5.46 Mo6.54 P7 -","- Mn5.46 Mo6.54 P7 -","1","0.166667","","Orishchin, S.V.; Zhak, O.V.; le Senechal, C.; Deputier, S.; Guerin, R.","Crystal structures of Zr2 Mn12 P7 and (Mo, Mn)12 P7","Neorganicheskie Materialy","2004","40","","709","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","166995","2020-10-21","18:00:00",""
"1538446","6.7909","","7.0163","","6.4662","","90","","103.49","","90","","299.595","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cd0.17 Ce0.68 (P0.99 O4)","","- Cd0.17 Ce0.68 O4 P0.99 -","- Cd0.17 Ce0.68 O4 P0.99 -","- Cd0.68 Ce2.72 O16 P3.96 -","4","1","","Orlova, A.I.; Kulikov, I.A.; Spiridonova, M.L.; Kasantsev, G.N.; Orlova, M.P.; Kabalov, Yu.K.; Pet'kov, V.I.; Zubkova, N.V.; Samoilov, S.G.","Cadmium cerium(IV) phosphate Cd0.5 Ce2 (P O4)3: crystal structure and physicochemical properties","Zhurnal Neorganicheskoi Khimii","2004","49","","1442","1449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538447","12.311","","12.311","","4.663","","90","","90","","120","","612.044","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Ni5 P2","","- Ni5.09067 P1.998 -","- Ni5.09067 P1.998 -","- Ni30.544 P11.988 -","6","0.5","","Oryshchyn, S.; Babizhet'sky, V.S.; Guerin, P.; Chikhrii, S.I.; Aksel'rud, L.G.; Stojko, S.; Kuz'ma, Yu.B.; Bauer, D.","Crystal structure of Ni5 P2","Neorganicheskie Materialy","2004","40","","450","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","166998","2020-10-21","18:00:00",""
"1538476","16.5178","","8.1086","","9.4401","","90","","90","","90","","1264.37","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Cr (N H3)5 Cl) (Pt Cl4)","","- Cl5 Cr H15 N5 Pt -","- Cl5 Cr H15 N5 Pt -","- Cl20 Cr4 H60 N20 Pt4 -","4","0.5","","Plusnin, P.E.; Shubin, Yu.V.; Yusenko, K.V.; Baidina, I.A.; Korda, T.M.; Korenev, S.V.","A study of chloropentaamminechromium(III) tetrachloroplatinate(II)","Zhurnal Neorganicheskoi Khimii","2004","49","","1253","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","186189","2020-10-21","18:00:00",""
"1538508","8.226","","8.226","","5.1374","","90","","90","","120","","301.059","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","La3 (Zr0.5 Ga0.5) Ga3 (Ga1.5 Si0.5) O14","","- Ga5 La3 O14 Si0.5 Zr0.5 -","- Ga5 La3.036 O14 Si0.5 Zr0.5 -","- Ga5 La3.036 O14 Si0.5 Zr0.5 -","1","0.166667","","Pugacheva, A.A.; Maksimov, B.A.; Simonov, V.I.; Mill', B.V.; Pisarevskii, Yu.V.; Kondakov, D.F.; Chernaya, T.S.; Verin, I.A.; Molchanov, V.N.","Growth and structure of La3 Zr0.5 Ga5 Si0.5 O14 crystals","Kristallografiya","2004","49","","58","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","167098","2020-10-21","18:00:00",""
"1538516","6.668","","9.879","","9.883","","73.53","","85.6","","86.93","","622.127","","","","","","","","","","","","","9","P -1","-P 1","2","","(Fe2.5 Mg2.2 Mn0.2 Al0.1) Ca2 Be4 (P O4)6 (O H)4.6 (H2 O)5.4","","- Al0.1 Be4 Ca2 Fe2.5 H15.4 Mg2.2 Mn0.2 O34 P6 -","- Al0.1 Be4 Ca2 Fe2.5 H8 Mg2.2 Mn0.2 O34 P6 -","- Al0.1 Be4 Ca2 Fe2.5 H8 Mg2.2 Mn0.2 O34 P6 -","1","0.5","","Rastsvetaeva, R.K.; Barinova, A.V.; Chukanov, N.V.; Pietraszko, A.","The crystal structure of a magnesian-rich triclinic analog of greifensteinite","Doklady Akad. Nauk","2004","398","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538533","12.757","","12.757","","32.211","","90","","90","","120","","4539.75","","","","","","","","","","","","","8","P 3","P 3","143","","Na31.1 Ca15.94 K0.96 (Si36 Al36 O144) (S O4)9.3 (S O3)0.7 Cl8","","- Al36 Ca15.94 Cl8 K0.96 Na31.1 O183.3 S10 Si36 -","- Al36 Ca15.93 Cl8 K0.96 Na31.11 O183.3 S10 Si36 -","- Al36 Ca15.93 Cl8 K0.96 Na31.11 O183.3 S10 Si36 -","1","0.333333","","Rozenberg, K.A.; Sapozhnikov, A.N.; Kashaev, A.A.; Rastsvetaeva, R.K.; Bolotina, N.B.","Crystal structure and of a new representative of the cancrinite group with a 12-layer staking sequence of tetrahedral rings","Kristallografiya","2004","49","","714","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","167152","2020-10-21","18:00:00",""
"1538543","5.433","","5.433","","5.433","","90","","90","","90","","160.369","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cd0.90 Tb0.10 F2.10","","- Cd0.9 F2.1 Tb0.1 -","- Cd0.9 F2.12 Tb0.1 -","- Cd3.6 F8.48 Tb0.4 -","4","0.0208333","","Ryzhova, E.A.; Molchanov, V.N.; Simonov, V.I.; Artyukhov, A.A.; Sobolev, B.P.","Growth and defect crystal structure of Cd F2 and non-stoichiometric Cd1-x Rx F2+x phases (R= rare earth elements and In). 2. Methods of structure refinement of Cd0.9 R0.1 F2.1 phases an exemple of Cd0.9 Tb0.1 F2.1 structure of nanodimensional clusters in Cd0.9 Tb0.1 F2.1 crystals","Kristallografiya","2004","49","","668","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","167172","2020-10-21","18:00:00",""
"1539086","10.184","","10.184","","5.306","","90","","90","","90","","550.306","","","","","","","","","","","","","1","P -4 21 m","P -4 2ab","113","","","","- Ta30 -","- Ta30 -","- Ta30 -","1","0.125","","Shamrai, V.F.; Warhulska, A.V.; Arakcheeva, A.V.; Grinevich, V.V.","Magnetic properties and crystal structure of Ta beta","Kristallografiya","2004","49","","1025","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539117","20.661","","9.816","","13.796","","90","","113.47","","90","","2566.47","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dy2 Hf2 (Mo O4)7","","- Dy2 Hf2 Mo7 O28 -","- Dy2 Hf2 Mo7 O28 -","- Dy8 Hf8 Mo28 O112 -","4","0.5","","Solodovnikov, S.F.; Bazarov, B.G.; Zolotova, E.S.; Tushinova, Yu.L.; Bazarova, Zh.G.; Badmaeva, E.Yu.","Phase formation in the system Dy2 O3 - Hf O2 - Mo O3 and crystal structure of a new double molybdate Dy2 Hf2 (Mo O4)7","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","692","697","","","","","","","","","","","","","","","","","","","","","","has coordinates","167883","2020-10-21","18:00:00",""
"1539118","9.932","","13.528","","12.413","","90","","110.21","","90","","1565.13","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K3 ((Re Br)6 S7 Br)","","- Br7 K3 Re6 S7 -","- Br7 K3 Re6 S7 -","- Br14 K6 Re12 S14 -","2","0.5","","Solodovnikov, S.F.; Mironov, Yu.V.; Yarovoi, S.S.; Virovets, A.V.; Fedorov, V.E.","Unusual disordering of potassium ions in the structure of cluster rhenium thiohalides K3 (Re6 S7 Br7) and K4 (Re6 S8 Cl6)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","909","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","167884","2020-10-21","18:00:00",""
"1539119","10.614","","17.268","","10.448","","90","","110.755","","90","","1790.67","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K3.66 ((Re Cl)6 S8)","","- Cl6 K3.66 Re6 S8 -","- Cl6 K3.66 Re6 S8 -","- Cl12 K7.32 Re12 S16 -","2","0.25","","Solodovnikov, S.F.; Yarovoi, S.S.; Virovets, A.V.; Mironov, Yu.V.; Fedorov, V.E.","Unusual disordering of potassium ions in the structure of cluster rhenium thiohalides K3 (Re6 S7 Br7) and K4 (Re6 S8 Cl6)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","909","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","167885","2020-10-21","18:00:00",""
"1539364","8.4308","","6.1189","","12.667","","90","","90","","90","","653.455","","","","","","","","","","","","","5","P m n a","-P 2ac 2","53","","(N H4) Sn Zr F7","","- F7 H4 N Sn Zr -","- F7 H4 N Sn Zr -","- F28 H16 N4 Sn4 Zr4 -","4","0.5","","Tkachenko, I.A.; Gerasimenko, A.V.; Sergienko, V.I.; Merkulov, E.B.; Kavun, V.Ya.; Uvarov, N.F.","Synthesis, structure, internal mobility, and ionic conductivity in N H4 Sn Zr F7 and K Sn Zr F7","Zhurnal Neorganicheskoi Khimii","2004","49","","1322","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539366","8.375","","5.939","","12.468","","90","","90","","90","","620.147","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","K Sn Zr F7","","- F7 K Sn Zr -","- F7 K Sn Zr -","- F28 K4 Sn4 Zr4 -","4","0.5","","Tkachenko, I.A.; Gerasimenko, A.V.; Sergienko, V.I.; Kavun, V.Ya.; Merkulov, E.B.; Uvarov, N.F.","Synthesis, structure, internal mobility, and ionic conductivity in N H4 Sn Zr F7 and K Sn Zr F7","Zhurnal Neorganicheskoi Khimii","2004","49","","1322","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539382","10.3528","","10.3528","","10.3528","","90","","90","","90","","1109.62","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Pr K2 Zr (P O4)3","","- K2 O12 P3 Pr Zr -","- K2 O12 P3 Pr Zr -","- K8 O48 P12 Pr4 Zr4 -","4","0.333333","","Trubach, I.G.; Orlova, A.I.; Beskrovnyi, A.I.; Orlova, V.A.; Kurazhkovskaya, V.S.","Synthesis and investigation of new phosphates K2 Ln Zr (P O4)3 (Ln= Ce- Yb, Y) with langbeinite structure","Kristallografiya","2004","49","","692","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539386","10.1199","","10.1199","","10.1199","","90","","90","","90","","1036.4","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Rb2 Fe Zr (P O4)3","","- Fe O12 P3 Rb2 Zr -","- Fe O12 P3 Rb2 Zr -","- Fe4 O48 P12 Rb8 Zr4 -","4","0.333333","","Trubach, I.G.; Beskrovnyi, A.I.; Orlova, A.I.; Orlova, V.A.; Kurazhkovskaya, V.S.","Synthesis and structural study of the Rb2 Fe Zr (P O4)3 phosphate with langbeinite structure","Kristallografiya","2004","49","","991","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539402","6.86707","","6.86707","","18.9545","","90","","90","","90","","893.831","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Li Mg4 (V O4)3","","- Li Mg4 O12 V3 -","- Li Mg4 O12 V3 -","- Li4 Mg16 O48 V12 -","4","0.25","","Tyutyunnik, A.P.; Zubkov, V.G.; Surat, L.L.; Slobodin, B.V.","Synthesis and crystal structure of Li Mg4 (V O4)3","Zhurnal Neorganicheskoi Khimii","2004","49","","610","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539415","12.713","","12.713","","12.7153","","90","","90","","90","","2055.05","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Ca2.4 Ce0.6 Zr2 Fe2.9 O12","","- Ca2.4 Ce0.6 Fe2.9 O12 Zr2 -","- Ca2.36 Ce0.64 Fe2.92 O12 Zr2 -","- Ca18.88 Ce5.12 Fe23.36 O96 Zr16 -","8","0.25","","Urusov, V.S.; Rusakov, V.S.; Kabalov, Yu.K.; Yudintsev, S.V.","Tetragonalization of ferrigarnets (Ca3-x Ax) (Zr2-y Fey) Fe2 O12 by moessbauer spectroscopy and Ritveld method data","Doklady Akad. Nauk","2004","399","","609","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","168324","2020-10-21","18:00:00",""
"1539417","12.7546","","12.7546","","12.7588","","90","","90","","90","","2075.6","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Ca2.4 Th0.6 Zr2 Fe2.9 O12","","- Ca2.4 Fe2.9 O12 Th0.6 Zr2 -","- Ca2.39 Fe2.96 O12 Th0.61 Zr1.98 -","- Ca19.12 Fe23.68 O96 Th4.88 Zr15.84 -","8","0.25","","Urusov, V.S.; Rusakov, V.S.; Kabalov, Yu.K.; Yudintsev, S.V.","Tetragonalization of ferrigarnets (Ca3-x Ax) (Zr2-y Fey) Fe2 O12 by moessbauer spectroscopy and Ritveld method data","Doklady Akad. Nauk","2004","399","","609","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","168328","2020-10-21","18:00:00",""
"1539925","10.8871","","10.8871","","37.935","","90","","90","","120","","3893.99","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca7.92 Cd0.79 Bi1.29 (V O4)7","","- Bi1.29 Ca7.92 Cd0.79 O28 V7 -","- Bi1.29 Ca7.92 Cd0.793 O28 V7 -","- Bi7.74 Ca47.52 Cd4.758 O168 V42 -","6","0.333333","","Vorontsova, O.L.; Lazoryak, B.I.; Malakho, A.P.; Morozov, V.A.; Stefanovich, S.Yu.","Ferroelectric and nonlinear properties of Ca9-x Cdx Bi (V O4)7 vanadates","Zhurnal Neorganicheskoi Khimii","2004","49","","1932","1942","","","","","","","","","","","","","","","","","","","","","","has coordinates","169012","2020-10-21","18:00:00",""
"1539929","12.5985","","15.7448","","3.61256","","90","","90","","90","","716.591","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Zr2 Se","","- Se Zr2 -","- Se Zr2 -","- Se12 Zr24 -","12","1.5","","Weirich, T.E.","The crystal structure of Zr2 Se reinvestigated by electron crystallography and X-ray powder diffraction","Kristallografiya","2004","49","","445","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539972","16.85","","9.729","","9.298","","90","","90","","90","","1524.26","","","","","","","","","","","","","9","C c c m","-C 2 2c","66","","(Mg1.86 Fe0.14) (Na0.28 Ca0.19) (Al3.39 Be0.61 Si5 O18) (H2 O)0.92","","- Al3.39 Be0.61 Ca0.19 Fe0.14 H1.84 Mg1.86 Na0.28 O18.92 Si5 -","- Al3.388 Be0.612 Ca0.192 Fe0.14 H1.856 Mg1.86 Na0.276 O18.928 Si5 -","- Al13.552 Be2.448 Ca0.768 Fe0.56 H7.424 Mg7.44 Na1.104 O75.712 Si20 -","4","0.25","","Yakubovich, O.V.; Massa, W.; Gavrilenko, P.G.; Pekov, I.V.; Chukanov, N.V.","Crystal structure of the Na-, Ca-, Be-cordierite and crystallochemical regularities in the cordierite-sekaninaite series","Kristallografiya","2004","49","","1049","1060","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539977","5.5206","","5.5206","","13.3416","","90","","90","","120","","352.137","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.92 Na0.058) Mn O3.09","","- La0.92 Mn Na0.058 O3.09 -","- La0.92 Mn Na0.058 O3.09 -","- La5.52 Mn6 Na0.348 O18.54 -","6","0.166667","","Yanchevskii, O.Z.; Tovstolytkin, A.I.; Durilin, D.A.; V'yunov, O.I.; Belous, A.G.","Structure and properties of nonstoichiometric La1-x Nax Mn O3+ - gamma solid solutions","Neorganicheskie Materialy","2004","40","","853","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539978","5.5102","","5.5102","","13.34","","90","","90","","120","","350.769","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.86 Na0.108) Mn O3.09","","- La0.86 Mn Na0.108 O3.09 -","- La0.86 Mn Na0.108 O3.09 -","- La5.16 Mn6 Na0.648 O18.54 -","6","0.166667","","Yanchevskii, O.Z.; Tovstolytkin, A.I.; Durilin, D.A.; V'yunov, O.I.; Belous, A.G.","Structure and properties of nonstoichiometric La1-x Nax Mn O3+ - gamma solid solutions","Neorganicheskie Materialy","2004","40","","853","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539991","8.0785","","8.0785","","11.3966","","90","","90","","90","","743.767","","","","","","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","Zn3 P2","","- P2 Zn3 -","- P2 Zn3 -","- P16 Zn24 -","8","0.5","","Zanin, I.E.; Aleinikova, K.B.; Afanas'ev, M.M.; Antipin, M. Yu.","Structure of Zn3 P2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","889","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","169120","2020-10-21","18:00:00",""
"1540006","22.301","","10.514","","9.669","","90","","90","","90","","2267.12","","","","","","","","","","","","","9","A m a 2","A 2 -2a","40","","Na Mn Ba2 Ce2 (Ti O)2 (Si4 O12)2 F0.7 (O H)0.3 (H2 O)0.7","","- Ba2 Ce2 F0.7 H1.7 Mn Na O27 Si8 Ti2 -","- Ba2 Ce2 F0.7 Mn Na O27 Si8 Ti2 -","- Ba8 Ce8 F2.8 Mn4 Na4 O108 Si32 Ti8 -","4","0.5","","Zubkova, N.V.; Pekov, I.V.; Pushcharovskii, D.Yu.; Giester, G.; Tillmanns, E.; Krotova, O.D.","Crystal structure of byelorussite-(Ce) Na Mn Ba2 Ce2 (Ti O)2 (Si4 O12)2 (F, O H) H2 O","Kristallografiya","2004","49","","1061","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540007","10.262","","10.262","","10.262","","90","","90","","90","","1080.68","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Bi2.09 Pb1.05 O4.17","","- Bi2.09 O4.17 Pb1.05 -","- Bi2.09 O4.1701 Pb1.05 -","- Bi16.72 O33.3608 Pb8.4 -","8","0.333333","","Zyryanov, V.V.","Structure and thermal behavior of metastable sillenites obtainedby mechanosynthesis","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","480","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","169142","2020-10-21","18:00:00",""
"1540008","10.209","","10.209","","10.209","","90","","90","","90","","1064.02","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi4.11 Hg1.01 O7.17 -","- Bi4.112 Hg1.008 O7.168 -","- Bi20.56 Hg5.04 O35.84 -","5","0.208333","","Zyryanov, V.V.","Structure and thermal behavior of metastable sillenites obtainedby mechanosynthesis","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","480","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540009","10.194","","10.194","","10.194","","90","","90","","90","","1059.34","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi12 Cd0.7 O18.7 -","- Bi12 Cd0.7 O18.8 -","- Bi24 Cd1.4 O37.6 -","2","0.0833333","","Zyryanov, V.V.","Structure and thermal behavior of metastable sillenites obtainedby mechanosynthesis","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2004","45","","480","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541501","24.849","","24.849","","12.214","","90","","90","","120","","6531.4","","","","","","","","","","","","","4","P 63","P 6c","173","","Ga6 (Si (C H3) (Si (C H3)3)2)6","","- C42 H126 Ga6 Si18 -","- C42 H114 Ga6 Si18 -","- C126 H342 Ga18 Si54 -","3","0.5","","Linti, G.; Dutta, D.; Coban, S.","Das Hexagallan (Ga6 (Si Me (Si Me3)2)6) und das closo-hexagallanat (Ga6 (Si (C Me3)3)4 (C H2 C6 H5)2)(2-) - der Uebergang zu einem ungewoehnlichen precloso-cluster","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","319","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","172843","2020-10-21","18:00:00",""
"1541548","16.215","","13.977","","14.176","","90","","114.555","","90","","2922.25","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H2 (C4 H9)2) (Cu2 (C N)3)","","- C11 H20 Cu2 N4 -","- C11 H20 Cu2 N4 -","- C88 H160 Cu16 N32 -","8","2","","Pretsch, T.; Hartl, H.; Bruedgam, I.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","172899","2020-10-21","18:00:00",""
"1541558","13.266","","29.89","","12.99","","90","","90","","90","","5150.8","","","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","(Zn Cl2) (P (Sn (C H3)3)3) ((C H2)4 O)","","- C13 H35 Cl2 O P Sn3 Zn -","- C13 H35 Cl2 O P Sn3 Zn -","- C104 H280 Cl16 O8 P8 Sn24 Zn8 -","8","1","","Fuhr, O.; Fenske, D.","Die ungewoehnliche Umwandlung von P (Sn Me3)3 in P4 (Sn Me2)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","244","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541583","18.145","","9.146","","14.306","","90","","101.54","","90","","2326.15","","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(N (C H3)4)2 ((Cu3 Mo O S3) I3)","","- C8 H24 Cu3 I3 Mo N2 O S3 -","- C8 H24 Cu3 I3 Mo N2 O S3 -","- C32 H96 Cu12 I12 Mo4 N8 O4 S12 -","4","1","","Hou Hongwei; Wie Yong-Li; Zhu Yu; Song Yinglin; Fan Yaoting","Two novel two-dimensional cluster polymers ((N Me4)2 (M O S3 Cu3 (mue2-I)3)) (M= Mo, W): synthesis, crystal structure and interesting optical alternation from self-defocusing to self-focusing","Inorganica Chimica Acta","2004","357","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541585","18.289","","9.186","","14.324","","90","","101.39","","90","","2359.08","","","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(N (C H3)4)2 ((W O S3) Cu3 I3)","","- C8 H24 Cu3 I3 N2 O S3 W -","- C8 H24 Cu3 I3 N2 O S3 W -","- C32 H96 Cu12 I12 N8 O4 S12 W4 -","4","1","","Hou Hongwei; Zhu Yu; Song Yinglin; Wie Yong-Li; Fan Yaoting","Two novel two-dimensional cluster polymers ((N Me4)2 (M O S3 Cu3 (mue2-I)3)) (M = Mo, W): synthesis, crystal structure and interesting optical alternation from self-defocusing to self-focusing","Inorganica Chimica Acta","2004","357","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541633","12.224","","17.456","","11.984","","90","","116.08","","90","","2296.8","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn (N (Si (C H3)3)2)2","","- C12 H36 N2 Si4 Zn -","- C12 H36 N2 Si4 Zn -","- C48 H144 N8 Si16 Zn4 -","4","1","","Margraf, G.; Bolte, M.; Lerner, H.W.; Wagner, M.","Crystal structure of the zinc amide Zn (N (Si Me3)2)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","217","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541666","11.641","","8.179","","14.253","","90","","98.48","","90","","1342.22","","","","","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","(Cu (C S (N H2)2)3) Cl (H2 O)","","- C3 H14 Cl Cu N6 O S3 -","- C3 H14 Cl Cu N6 O S3 -","- C12 H56 Cl4 Cu4 N24 O4 S12 -","4","1","","Bombicz, P.; Mutikainen, I.; Krunks, M.; Leskela, T.; Madarasz, J.; Niinisto, L.","Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes","Inorganica Chimica Acta","2004","357","","513","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541667","13.398","","13.398","","13.79","","90","","90","","90","","2475.39","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Cu (C S (N H2)2)3) Cl","","- C3 H12 Cl Cu N6 S3 -","- C3 H12 Cl Cu N6 S3 -","- C24 H96 Cl8 Cu8 N48 S24 -","8","1","","Bombicz, P.; Madarasz, J.; Mutikainen, I.; Leskela, T.; Krunks, M.; Niinisto, L.","Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes","Inorganica Chimica Acta","2004","357","","513","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541668","13.391","","13.391","","13.788","","90","","90","","90","","2472.45","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Cu (C S (N H2)2)3) Br","","- C3 H12 Br Cu N6 S3 -","- C3 H12 Br Cu N6 S3 -","- C24 H96 Br8 Cu8 N48 S24 -","8","1","","Bombicz, P.; Mutikainen, I.; Krunks, M.; Niinisto, L.; Madarasz, J.; Leskela, T.","Synthesis, vibrational spectra and X-ray structures of copper(I) thiourea complexes","Inorganica Chimica Acta","2004","357","","513","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541669","8.457","","13.812","","10.189","","90","","91.2","","90","","1189.9","","","","","","","","","","","","","6","P 1 c 1","P -2yc","7","","(N (C H3)4) Zn (H P O4) (H2 P O4)","","- C4 H15 N O8 P2 Zn -","- C4 H15 N O8 P2 Zn -","- C16 H60 N4 O32 P8 Zn4 -","4","2","","Wiebcke, M.; Marler, B.","Two polymorphs of a tetramethylammonium zincophosphate with diamond net-related frameworkks containing (H3 O4 (P)4) hydroxyl nests: solution-mediated and mechanochemical phase transformations and crystal structures","Solid State Sciences","2004","6","","213","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541686","10.7588","","10.7588","","18.6845","","90","","90","","90","","2162.76","","","","","","","","","","","","","7","P -4 21 c","P -4 2n","114","","((C Se (N H2)2)2 ((C H3)3 P)2 Au2) Cl2","","- C8 H26 Au2 Cl2 N4 P2 Se2 -","- C8 H26 Au2 Cl2 N4 P2 Se2 -","- C32 H104 Au8 Cl8 N16 P8 Se8 -","4","0.5","","Fettouhi, M.; Wazeer, M.I.M.; Ahmad, S.; Isab, A.A.","X-ray structure and (77)Se, (31)P and (13)C MAS NMR of the dinuclear complex 1,2-bis(selenourea)-1kappaSe,2kappaSe -1,2-bis(trimethylphosphine)digold(I) chloride","Polyhedron","2004","23","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","173102","2020-10-21","18:00:00",""
"1541687","15.864","","11.181","","16.048","","90","","90","","90","","2846.52","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Sn (C H3)2)6 P4","","- C12 H36 P4 Sn6 -","- C12 H36 P4 Sn6 -","- C48 H144 P16 Sn24 -","4","0.25","","Fuhr, O.; Fenske, D.","Die ungewoehnliche Umwandlung von P (Sn Me3)3 in P4 (Sn Me2)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","244","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","173104","2020-10-21","18:00:00",""
"1541728","12.848","","13.37","","13.967","","90","","90","","90","","2399.22","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N H2 (C3 H7)2) (Cu2 (C N)3)","","- C9 H16 Cu2 N4 -","- C9 H16 Cu2 N4 -","- C72 H128 Cu16 N32 -","8","1","","Pretsch, T.; Hartl, H.; Bruedgam, I.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","173180","2020-10-21","18:00:00",""
"1541730","8.079","","14.55","","11.012","","90","","99.282","","90","","1277.51","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N H2 (C3 H7)2) (Cu2 (C N)3)","","- C9 H16 Cu2 N4 -","- C9 H16 Cu2 N4 -","- C36 H64 Cu8 N16 -","4","1","","Pretsch, T.; Bruedgam, I.; Hartl, H.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541772","17.1253","","17.1253","","12.3033","","90","","90","","120","","3124.85","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(B (C H2 (Si Cl3)) N H)3","","- C3 H9 B3 Cl9 N3 Si3 -","- C3 H9 B3 Cl9 N3 Si3 -","- C18 H54 B18 Cl54 N18 Si18 -","6","0.333333","","Jaeschke, T.; Jansen, M.","Synthesis, crystal structure and spectroscopic characterization of the borazine derivatives (B (C H2 (Si Cl3)) N H)3 and (B (C H2 (Si Cl2 C H3)) N H)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","239","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","173249","2020-10-21","18:00:00",""
"1541773","17.138","","17.138","","12.587","","90","","90","","120","","3201.65","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(B (C H2 (Si Cl2 C H3)) N H)3","","- C6 H18 B3 Cl6 N3 Si3 -","- C6 H18 B3 Cl6 N3 Si3 -","- C36 H108 B18 Cl36 N18 Si18 -","6","0.333333","","Jaeschke, T.; Jansen, M.","Synthesis, crystal structure and spectroscopic characterization of the borazine derivatives (B (C H2 (Si Cl3)) N H)3 and (B (C H2 (Si Cl2 C H3)) N H)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","239","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","173251","2020-10-21","18:00:00",""
"1541800","13.504","","7.4447","","8.2059","","90","","90","","90","","824.966","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(N H2 (C H3)2) (Cu2 (C N)3)","","- C5 H8 Cu2 N4 -","- C5 H8 Cu2 N4 -","- C20 H32 Cu8 N16 -","4","1","","Pretsch, T.; Bruedgam, I.; Hartl, H.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","173299","2020-10-21","18:00:00",""
"1541822","16.006","","9.873","","15.198","","90","","90","","90","","2401.7","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","(N (C H3)4) Zn (H P O4) (H2 P O4)","","- C4 H15 N O8 P2 Zn -","- C4 H3 N O8 P2 Zn -","- C32 H24 N8 O64 P16 Zn8 -","8","0.5","","Wiebcke, M.; Marler, B.","Two polymorphs of a tetramethylammonium zincophosphate with diamond net-related frameworkks containing (H3 O4 (P)4) hydroxyl nests: solution-mediated and mechanochemical phase transformations and crystal structures","Solid State Sciences","2004","6","","213","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541866","8.7597","","6.7809","","27.113","","90","","90","","90","","1610.48","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cs (Cu2 (C N)3) (H2 O)","","- C3 H2 Cs Cu2 N3 O -","- C3 H2 Cs Cu2 N3 O -","- C24 H16 Cs8 Cu16 N24 O8 -","8","1","","Pretsch, T.; Bruedgam, I.; Hartl, H.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541877","9.2199","","9.2199","","21.065","","90","","90","","120","","1550.76","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","(N (C H3)4)3 (As2 Cl9)","","- C12 H36 As2 Cl9 N3 -","- C12 H36 As2 Cl9 N3 -","- C24 H72 As4 Cl18 N6 -","2","0.333333","","Wojtas, M.; Bator, G.; Ciunik, Z.","Crystal structure, phase transition and ferroelastic properties of (N (C H3)4)3 (As2 Cl9)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","407","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","198672","2020-10-21","18:00:00",""
"1542074","12.021","","8.396","","7.4834","","90","","95.853","","90","","751.35","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Rb (Cu2 (C N)3) (H2 O)","","- C3 H2 Cu2 N3 O Rb -","- C3 H2 Cu2 N3 O Rb -","- C12 H8 Cu8 N12 O4 Rb4 -","4","1","","Pretsch, T.; Hartl, H.; Bruedgam, I.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544426","4.026","0.0002","4.026","0.0002","4.1241","0.0002","90","","90","","90","","66.846","0.006","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","PbZr0.45Ti0.55O3","","","- O3 Pb Ti0.55 Zr0.45 -","- O3 Pb Ti0.55 Zr0.45 -","- O3 Pb Ti0.55 Zr0.45 -","1","0.125","","Idemoto, Y.; Yoshikoshi, H.; Koura, N.; Takeuchi, K.; Richardson, Jr, J.W.; Loong, C.-K.","Relation between the crystal structure, physical properties and ferroelectric properties of PbZrxTi1-xO3 (x=0.40, 0.45, 0.52) ferroelectric material by heat treatment","Journal of the Ceramic Society of Japan","2004","112","","40","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","187725","2020-10-21","18:00:00",""
"1544427","10.75","0.01","10.75","0.01","10.75","0.01","90","","90","","90","","1242","2","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","Ce2Zr2O7","","","- Ce2 O7 Zr2 -","- Ce2 O7 Zr2 -","- Ce16 O56 Zr16 -","8","","","Sasaki, T.; Ukyo, Y.; Kuroda, K.; Arai, S.; Muto, S.; Saka, H.","Crystal structure of Ce2Zr2O7 and beta-Ce2Zr2O7.5","Journal of the Ceramic Society of Japan","2004","112","","440","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","187726","2020-10-21","18:00:00",""
"1544428","10.6451","0.0001","10.6451","0.0001","10.6451","0.0001","90","","90","","90","","1206.28","0.02","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","beta-Ce2Zr2O7.5","","","- Ce2 O7.5 Zr2 -","- Ce2 O7.4965 Zr2 -","- Ce16 O59.972 Zr16 -","8","0.0833333","","Sasaki, T.; Ukyo, Y.; Kuroda, K.; Arai, S.; Muto, S.; Saka, H.","Crystal structure of Ce2Zr2O7 and beta-Ce2Zr2O7.5","Journal of the Ceramic Society of Japan","2004","112","","440","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","187727","2020-10-21","18:00:00",""
"1544880","4.728","0.001","10.263","0.001","7.872","0.001","109.07","0.01","90","","90","","361.01","0.1","","","","","","","","","","","","7","P 21/b 1 1","-P 2xab","14","Mg4.76Fe0.22Ti0.02Si1.99O8((OH)1.26F0.74)","","natural chondrodite at 1 atm","- F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 -","- Fe0.203 Mg4.725 O10 Si2 Ti0.072 -","- Fe0.406 Mg9.45 O20 Si4 Ti0.144 -","2","0.5","","Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y.","High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 1 atm","Journal of Mineralogical and Petrological Sciences","2004","99","","118","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","209174","2020-10-21","18:00:00",""
"1544881","4.7","0.004","10.14","0.002","7.782","0.003","109.01","0.02","90","","90","","350.6","0.3","","","","","","","","","","","","7","P 21/b 1 1","-P 2xab","14","Mg4.76Fe0.22Ti0.02Si1.99O8((OH)1.26F0.74)","","natural chondrodite at 3.8 GPa","- F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 -","- Fe0.203 Mg4.725 O10 Si2 Ti0.072 -","- Fe0.406 Mg9.45 O20 Si4 Ti0.144 -","2","0.5","","Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y.","High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 3.8 GPa, RT","Journal of Mineralogical and Petrological Sciences","2004","99","","118","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","209174","2020-10-21","18:00:00",""
"1544882","4.686","0.004","10.092","0.002","7.75","0.002","108.98","0.02","90","","90","","346.6","0.3","","","","","","","","","","","","7","P 21/b 1 1","-P 2xab","14","Mg4.76Fe0.22Ti0.02Si1.99O8((OH)1.26F0.74)","","natural chondrodite at 5.5 GPa","- F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 -","- Fe0.203 Mg4.725 O10 Si2 Ti0.072 -","- Fe0.406 Mg9.45 O20 Si4 Ti0.144 -","2","0.5","","Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y.","High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 5.5 GPa, RT","Journal of Mineralogical and Petrological Sciences","2004","99","","118","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","209174","2020-10-21","18:00:00",""
"1544883","4.666","0.004","10.047","0.002","7.722","0.002","108.97","0.02","90","","90","","342.3","0.3","","","","","","","","","","","","7","P 21/b 1 1","-P 2xab","14","Mg4.76Fe0.22Ti0.02Si1.99O8((OH)1.26F0.74)","","natural chondrodite at 7.3 GPa","- F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 -","- Fe0.203 Mg4.725 O10 Si2 Ti0.072 -","- Fe0.406 Mg9.45 O20 Si4 Ti0.144 -","2","0.5","","Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y.","High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 7.3 GPa, RT","Journal of Mineralogical and Petrological Sciences","2004","99","","118","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","209174","2020-10-21","18:00:00",""
"1544884","4.711","0.001","10.239","0.001","7.821","0.006","108.65","0.03","90","","90","","357.4","0.3","","","","","","","","","","","","4","P 21/b 1 1","-P 2xab","14","Mg5Si2O8(OH)2","","chondrodite-OH at 3.7 GPa","- H2 Mg4.98 O10 Si2.01 -","- Mg4.725 O10 Si2 -","- Mg9.45 O20 Si4 -","2","0.5","","Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y.","High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: chondrodite-OH at 3.7 GPa, RT","Journal of Mineralogical and Petrological Sciences","2004","99","","118","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","209174","2020-10-21","18:00:00",""
"1544885","4.696","0.001","10.182","0.001","7.776","0.002","108.55","0.04","90","","90","","352.49","0.15","","","","","","","","","","","","4","P 21/b 1 1","-P 2xab","14","Mg5Si2O8(OH)2","","chondrodite-OH at 5.9 GPa","- H2 Mg4.98 O10 Si2.01 -","- Mg4.725 O10 Si2 -","- Mg9.45 O20 Si4 -","2","0.5","","Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y.","High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: chondrodite-OH at 5.9 GPa, RT","Journal of Mineralogical and Petrological Sciences","2004","99","","118","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","209174","2020-10-21","18:00:00",""
"1549448","4.82","0.0002","9.782","0.0005","15.323","0.0009","90","","93.407","0.002","90","","721.19","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O2 -","- C7 H6 N4 O2 -","- C28 H24 N16 O8 -","4","1","","Acuña-Cueva, Esther R.; Faure, René; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.; Peña-Ruiz, Tomás","Study of the chelating capacity of nucleobase analogs with biological interest: XRD structural study and ab initio molecular orbital calculations on 1-methyl and 1,6,7-trimethyllumazine","Journal of Molecular Structure","2004","697","1-3","65","","10.1016/j.molstruc.2004.03.022","","","0.7107","MoKα","","0.125","0.0756","","","0.1831","0.207","","","","","","1.054","","","","has coordinates","207930","2020-10-21","18:00:00",""
"1549449","16.136","0.0004","6.585","0.0002","10.538","0.0004","90","","125.15","0.0013","90","","915.54","0.05","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","","Acuña-Cueva, Esther R.; Faure, René; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.; Peña-Ruiz, Tomás","Study of the chelating capacity of nucleobase analogs with biological interest: XRD structural study and ab initio molecular orbital calculations on 1-methyl and 1,6,7-trimethyllumazine","Journal of Molecular Structure","2004","697","1-3","65","","10.1016/j.molstruc.2004.03.022","","","0.7107","MoKα","","0.0925","0.0547","","0.1793","0.1464","","","","1.038","1.079","1.079","","","","","has coordinates","207931","2020-10-21","18:00:00",""
"1549549","9.997","0.002","13.1442","0.0015","16.458","0.002","101.096","0.008","92.796","0.014","96.03","0.02","2105.2","0.6","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Mn4 N2 O32 -","- C32 H38 Mn4 N2 O32 -","- C64 H76 Mn8 N4 O64 -","2","1","","Köferstein, Roberto; Robl, Christian","[Mn(H2O)2]4[HNC5H4(COO)]2[C6H2(COO)4]2·4H2O— Ein dreidimensionales Koordinationspolymer mit Gastwassermolekülen in kanalartigen Hohlräumen","Zeitschrift für anorganische und allgemeine Chemie","2004","630","1","185","","10.1002/zaac.200300262","","","","","","0.06","0.037","","","","","","","","","","","","","","has coordinates","208340","2020-10-21","18:00:00",""
"1552115","5.34","0.001","9.241","0.001","14.689","0.002","90","","93.66","0.03","90","","723.38","0.19","","","298","","","","100","","","","Synthetic","4","C 1 c 1","C -2yc","9","Mg3Si2O5(OH)4","","chrysotile","- H4 Mg3 O9 Si2 -","- Mg3 O9 Si2 -","- Mg12 O36 Si8 -","4","1","","Falini, G.; Foresti, E.; Gazzano, M.; Gualtieri, A.F.; Leoni, M.; Lesci, I.G.; Roveri, N.","Tubular-shaped stoichiometric chrysotile nanocrystals","Chemistry - European Journal","2004","10","","3043","3049","10.1002/chem.200305685","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1556109","16.649","0.002","19.163","0.002","27.224","0.003","90","","90","","89.58","","8685.4","1.7","180","2","180","2","","","","","","","","8","P 1 21 1 (c,2*a+c,b)","P 2yb (-1/2*x+z,1/2*x,y)","4","","","","- C67.5 H54.5 Br2 Cl2 N2 O6 P2 Ru -","- C67.46 H48 Br2 Cl2 N2 O6 P2 Ru -","- C269.84 H192 Br8 Cl8 N8 O24 P8 Ru4 -","4","2","","Xu, Yingjian; Alcock, Nat W.; Clarkson, Guy J.; Docherty, Gordon; Woodward, Gary; Wills, Martin","Asymmetric hydrogenation of ketones using a ruthenium(II) catalyst containing BINOL-derived monodonor phosphorus-donor ligands.","Organic letters","2004","6","22","4105","4107","10.1021/ol0481840","","","0.71073","MoKα","","0.212","0.0962","","","0.2069","0.2447","","","","","","0.85","","","","has coordinates,has disorder","243471","2020-10-21","18:00:00",""
"2013725","10.107","0.002","9.715","0.002","10.62","0.002","90","","118.01","0.03","90","","920.6","0.4","153","2","153","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Bis(methylsulfamido) sulfone","","- C2 H8 N2 O6 S3 -","- C2 H8 N2 O6 S3 -","- C8 H32 N8 O24 S12 -","4","1","AV1137","Taraba, Jan; Žák, Zdirad","The polysulfonylamines bis(methylsulfonamido) sulfone and bis(trifluoromethylsulfonamido) sulfone","Acta Crystallographica Section C","2004","60","1","o79","o81","10.1107/S0108270103019462","","","0.71069","MoKα","","0.058","0.05","","","0.14","0.148","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013726","9.007","0.002","5.537","0.001","20.776","0.004","90","","94.97","0.03","90","","1032.2","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(trifluoromethylsulfamido) sulfone","","- C2 H2 F6 N2 O6 S3 -","- C2 H2 F6 N2 O6 S3 -","- C8 H8 F24 N8 O24 S12 -","4","0.5","AV1137","Taraba, Jan; Žák, Zdirad","The polysulfonylamines bis(methylsulfonamido) sulfone and bis(trifluoromethylsulfonamido) sulfone","Acta Crystallographica Section C","2004","60","1","o79","o81","10.1107/S0108270103019462","","","0.71069","MoKα","","0.052","0.041","","","0.092","0.096","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013727","3.898","0.001","11.966","0.002","15.945","0.003","79.08","0.02","83.54","0.02","87.09","0.02","725.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxypurine hemihydrate","","- C6 H7 N4 O1.5 -","- C6 H6.75 N4 O1.5 -","- C24 H27 N16 O6 -","4","2","AV1151","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two hydrates of 6-methoxypurine","Acta Crystallographica Section C","2004","60","1","o44","o46","10.1107/S010827010302314X","","","0.71073","MoKα","","0.0762","0.0498","","","0.1162","0.1247","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013728","6.837","0.001","7.819","0.002","10.281","0.002","70.13","0.02","75.49","0.02","80.29","0.02","498.29","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxypurine trihydrate","","- C6 H12 N4 O4 -","- C6 H12 N4 O4 -","- C12 H24 N8 O8 -","2","1","AV1151","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two hydrates of 6-methoxypurine","Acta Crystallographica Section C","2004","60","1","o44","o46","10.1107/S010827010302314X","","","0.71073","MoKα","","0.0536","0.0373","","","0.0902","0.0938","","","","","","0.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013729","5.041","0.001","6.547","0.001","7.247","0.001","90","","96.98","0.02","90","","237.4","0.07","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","5-Methylsulfanyl-1H-tetrazole (α-form)","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C4 H8 N8 S2 -","2","0.5","AV1152","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two dimorphs of 5-methylsulfanyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","1","o47","o49","10.1107/S0108270103022704","","","0.71073","MoKα","","0.0332","0.0293","","","0.0679","0.0693","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013730","7.714","0.002","9.833","0.002","6.679","0.001","90","","90","","90","","506.61","0.18","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","5-Methylsulfanyl-1H-tetrazole (β-form)","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C8 H16 N16 S4 -","4","0.5","AV1152","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two dimorphs of 5-methylsulfanyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","1","o47","o49","10.1107/S0108270103022704","","","0.71073","MoKα","","0.0481","0.0311","","","0.0654","0.0668","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013731","6.51","0.001","8.971","0.001","11.085","0.002","70.746","0.002","73.108","0.002","73.807","0.002","572.66","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,5-diphenylhydroquinone‒2-pyridone (1/2)","","- C28 H24 N2 O4 -","- C28 H21.476 N2 O4 -","- C28 H21.476 N2 O4 -","1","0.5","AV1153","Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory","Inclusion compounds of 2,5-diphenylhydroquinone","Acta Crystallographica Section C","2004","60","1","o50","o53","10.1107/S0108270103022716","","","0.71073","MoKα","","0.0546","0.042","","","0.1187","0.1263","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013732","9.413","0.002","10.042","0.002","11.848","0.002","65.74","0.02","81.57","0.02","62.81","0.02","907","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,5-diphenylhydroquinone‒1,3-diphenyl-2-propen-1-one (1/2)","","- C48 H38 O4 -","- C48 H38 O4 -","- C48 H38 O4 -","1","0.5","AV1153","Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory","Inclusion compounds of 2,5-diphenylhydroquinone","Acta Crystallographica Section C","2004","60","1","o50","o53","10.1107/S0108270103022716","","","0.71073","MoKα","","0.1132","0.043","","","0.1126","0.142","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013733","10.322","0.002","11.051","0.002","18.041","0.003","83.11","0.02","75.54","0.02","89.7","0.02","1977.7","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,5-diphenylhydroquinone‒1-(4-methoxyphenyl)-3-phenyl-2-propen-1-one (1/2)","","- C50 H42 O6 -","- C50 H42 O6 -","- C100 H84 O12 -","2","1","AV1153","Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory","Inclusion compounds of 2,5-diphenylhydroquinone","Acta Crystallographica Section C","2004","60","1","o50","o53","10.1107/S0108270103022716","","","0.71073","MoKα","","0.1886","0.0677","","","0.1775","0.2244","","","","","","0.852","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013734","9.746","0.005","12.78","0.007","13.315","0.007","113.132","0.009","104.763","0.009","96.916","0.009","1428.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquatris-bis[(μ-2-Fluorobenzoato-o,o':o')(μ-2-Fluorobenzoato-o,o' (2-Fluorobenzoato-o)(4,4'-bipyridine-N)-lanthanum(III)]","","- C31 H22 F3 La N2 O7 -","- C31 H22 F3 La N2 O7 -","- C62 H44 F6 La2 N4 O14 -","2","1","AV1158","Li, Xia; Zou, Ying-Quan; Song, Hai-Bin","Tetra-μ-2-fluorobenzoato-bis[aqua(4,4'-bipyridine)(2-fluorobenzoato)lanthanum(III)]","Acta Crystallographica Section C","2004","60","3","m110","m111","10.1107/S0108270103029470","","","0.71073","MoKα","","0.0412","0.03","","","0.0677","0.08","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013735","19.3587","0.0015","6.7658","0.0005","12.7869","0.0007","90","","90","","90","","1674.8","0.2","180","","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tetrapotassium vanadium diphosphorus nonasulfide","","- K4 P2 S9 V -","- K4 P2 S9 V -","- K16 P8 S36 V4 -","4","1","AV1159","Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang","K~4~VP~2~S~9~","Acta Crystallographica Section C","2004","60","2","i11","i13","10.1107/S0108270103026623","","","0.71073","MoKα","","0.051","0.048","","","0.124","0.127","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013736","9.1835","0.0006","7.8999","0.0006","18.2023","0.0013","90","","98.598","0.006","90","","1305.71","0.16","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(2-pyridyl)-1,2-diaminobenzene","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","1","AV1160","Maria Gdaniec; Igor Bensemann; Tadeusz Połoński","<i>N</i>,<i>N</i>'-Bis(2-pyridyl)benzene-1,2-diamine","Acta Crystallographica Section C","2004","60","3","o215","o216","10.1107/S010827010400068X","","","0.71073","MoKα","","0.0532","0.0455","","","0.1168","0.1248","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013737","8.203","0.003","11.566","0.004","14.534","0.004","90","","91.025","0.003","90","","1378.7","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[sodium-μ~4~-3,5-dicarboxybenzenesulfonate- κ^4^O:O':O'':O'''-μ~2~-urea-κ^2^O:N] monohydrate]","","- C9 H11 N2 Na O9 S -","- C9 H11 N2 Na O9 S -","- C36 H44 N8 Na4 O36 S4 -","4","1","AV1161","Stoś, Elżbieta; Lis, Tadeusz; Videnova-Adrabińska, Veneta","Polymeric sodium 3,5-dicarboxybenzenesulfonate‒urea‒water (1/1/1)","Acta Crystallographica Section C","2004","60","3","m114","m116","10.1107/S0108270104000691","","","0.71073","MoKα","","0.0492","0.0346","","","0.0862","0.091","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013738","7.6353","0.0008","7.6077","0.0008","16.335","0.002","90","","92.19","0.009","90","","948.16","0.18","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Zinc catena-polyphosphate","","- O6 P2 Zn -","- O6 P2 Zn -","- O48 P16 Zn8 -","8","2","BC1027","Weil, Matthias","The high-temperature modification of zinc <i>catena</i>-polyphosphate, β-Zn(PO~3~)~2~","Acta Crystallographica Section C","2004","60","2","i20","i22","10.1107/S0108270103025666","","","0.71073","MoKα","","0.0228","0.0199","","","0.0422","0.043","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013739","9.161","0.001","9.161","0.001","4.114","0.001","90","","90","","120","","299.01","0.09","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","uranium cobalt tetraaluminide","uranium cobalt tetraaluminide","","- Al4 Co U -","- Al4 Co U -","- Al12 Co3 U3 -","3","0.25","BC1029","Stêpieň-Damm, J.; Tougait, O.; Zaremba, V.I.; Noël, H.; Troc,̆ R.","Uranium cobalt tetraaluminide, UCoAl~4~","Acta Crystallographica, Section C","2004","60","","i7","i8","10.1107/S0108270103027252","","","0.71073","MoKα","","0.025","0.022","","","0.037","0.037","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013740","9.4316","0.0007","9.4316","0.0007","8.3595","0.0008","90","","90","","120","","643.99","0.09","297","2","","","","","","","","","","6","P -6 2 c","P -6c -2c","190","rubidium grimselite","rubidium sodium uranyl tricarbonate hydrate","","- C3 H Na O11.5 Rb3 U -","- C3 Na O11.5 Rb3 U -","- C6 Na2 O23 Rb6 U2 -","2","0.166667","BC1032","Hughes Kubatko, Karrie-Ann; Burns, Peter C.","The Rb analogue of grimselite, Rb~6~Na~2~[(UO~2~)(CO~3~)~3~]~2~(H~2~O)","Acta Crystallographica Section C","2004","60","3","i25","i26","10.1107/S0108270103028312","","","0.71073","MoKα","","","0.034","","","","0.085","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","283803","2023-05-16","08:05:52",""
"2013741","10.404","0.002","10.404","0.002","7.996","0.003","90","","90","","120","","749.6","0.3","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","europium(II) oxyiodide","tetraeuropium hexaiodine oxygen","","- Eu4 I6 O -","- Eu4 I6 O -","- Eu8 I12 O2 -","2","0.166667","BC1033","Liao, Wuping; Dronskowski, Richard","Europium(II) oxyiodide","Acta Crystallographica Section C","2004","60","3","i23","i24","10.1107/S0108270103028671","","","0.71073","MoKα","","0.0281","0.0267","","","0.0658","0.0667","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013742","7.0148","0.001","15.896","0.004","18.587","0.005","90","","96.548","0.018","90","","2059.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","mer-(4-Aminobenzenesulfonate-κN)triaqua(1,10-phenanthroline- κ^2^N,N')cobalt(II) chloride","","- C18 H20 Cl Co N3 O6 S -","- C18 H20 Cl Co N3 O6 S -","- C72 H80 Cl4 Co4 N12 O24 S4 -","4","1","BM1550","Ming-Hua Huang; Li-Hua Bi; Shao-Jun Dong","<i>mer</i>-(4-Aminobenzenesulfonato-κ<i>N</i>)triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) chloride","Acta Crystallographica Section C","2004","60","1","m30","m32","10.1107/S0108270103026957","","","0.71073","MoKα","","0.0507","0.0343","","","0.0711","0.0731","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013743","9.2875","0.0002","9.9802","0.0002","10.9261","0.0002","63.4321","0.0008","82.2565","0.0007","77.946","0.0008","884.85","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-hydroxo-bis({bis[2-(2-pyridyl)ethyl]amine-κ^3^N}copper(II)) dichloride hexahydrate","","- C28 H48 Cl2 Cu2 N6 O8 -","- C28 H42 Cl2 Cu2 N6 O8 -","- C28 H42 Cl2 Cu2 N6 O8 -","1","0.5","BM1551","Leaver, Stewart A.; Kilner, Colin A.; Halcrow, Malcolm A.","Di-μ-hydroxo-bis({bis[2-(2-pyridyl)ethyl]amine-κ^3^<i>N</i>}copper(II)) dichloride hexahydrate","Acta Crystallographica Section C","2004","60","1","m1","m3","10.1107/S0108270103026064","","","0.71073","MoKα","","0.035","0.032","","","0.085","0.088","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013744","16.805","0.0008","10.0004","0.0005","18.6253","0.0009","90","","95.241","0.002","90","","3117","0.3","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N S2 -","- C19 H15 N S2 -","- C152 H120 N8 S16 -","8","2","BM1552","Palenzuela Conde, Jesús; Elsegood, Mark R. J.; Ryder, Karl S.","<i>N</i>-Benzyl-2,5-bis(2-thienyl)pyrrole","Acta Crystallographica Section C","2004","60","3","o166","o168","10.1107/S0108270103029639","","","0.71073","MoKα","","","0.0464","","","","0.1344","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013745","8.9837","0.0008","9.56","0.0008","10.1222","0.0009","90","","98.225","0.002","90","","860.39","0.13","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-(2-Fluoroethyl)-3β-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2α- carboxamide","","- C17 H22 F I N2 O -","- C17 H22 F I N2 O -","- C34 H44 F2 I2 N4 O2 -","2","1","BM1554","Krebs, Birte; Flörke, Ulrich","<i>N</i>-(2-Fluoroethyl)-3β-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2α-carboxamide: a new cocaine derivative with equatorially attached ligands","Acta Crystallographica Section C","2004","60","2","o118","o119","10.1107/S0108270103027835","","","0.71073","MoKα","","0.035","0.031","","","0.07","0.071","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013746","18.171","0.004","22.13","0.005","23.251","0.007","90","","90","","90","","9350","4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Heptaaquatetra-μ~3~-hydroxy-hexa-μ~2~-L-leucine-(L-leucine)tetraytterbium(III) tetrachloratezinc(II) trichlorohydroxyzinc(II) tetrachloride octahydrate","","- C42 H126 Cl11 N7 O34 Yb4 Zn2 -","- C42 H126 Cl11 N7 O34 Yb4 Zn2 -","- C168 H504 Cl44 N28 O136 Yb16 Zn8 -","4","1","BM1556","Jinping Wang; Chunji Niu; Ninghai Hu","Heptaaquatetra-μ~3~-hydroxy-hexa-μ~2~-<small>L</small>-leucine-(<small>L</small>-leucine)tetraytterbium(III) tetrachlorozinc(II) trichlorohydroxyzinc(II) tetrachloride octahydrate","Acta Crystallographica Section C","2004","60","3","m143","m146","10.1107/S0108270104002264","","","0.71073","MoKα","","0.0993","0.0534","","","0.0939","0.1003","","","","","","1.062","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2013747","10.6661","0.0007","7.5042","0.0005","11.126","0.0008","90","","109.404","0.002","90","","839.95","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[lead(II)-μ~2~-aqua-μ~3~-terephthalato]","","- C8 H6 O5 Pb -","- C8 H6 O5 Pb -","- C32 H24 O20 Pb4 -","4","1","BM1557","Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita","Poly[lead(II)-μ~2~-aqua-μ~4~-terephthalato]","Acta Crystallographica Section C","2004","60","2","m76","m78","10.1107/S0108270103029573","","","0.71073","MoKα","","0.0257","0.0228","","","0.0554","0.057","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013748","8.0612","0.0004","8.0612","0.0004","36.648","0.003","90","","90","","90","","2381.5","0.3","297","2","297","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H10 F12 N2 O4 Zn -","- C20 H10 F12 N2 O4 Zn -","- C80 H40 F48 N8 O16 Zn4 -","4","0.5","DE1228","Juan Granifo; María Teresa Garland; Ricardo Baggio","<i>catena</i>-Poly[[bis(hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","2","m97","m100","10.1107/S0108270104000198","","","0.71073","MoKα","","0.0731","0.0482","","","0.1196","0.1319","","","","","","0.937","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013749","8.1002","0.001","7.8837","0.001","23.108","0.003","90","","90.828","0.01","90","","1475.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^-(2,6-Dimethylphenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","DN1035","Soylu, Serkan; Tas̨, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","<i>N</i>^1^-(2,6-Dimethylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine","Acta Crystallographica Section C","2004","60","2","o115","o117","10.1107/S0108270103028178","","","0.71073","MoKα","","0.087","0.042","","","0.105","0.116","","","","","","0.873","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013750","7.612","0.002","12.409","0.008","22.032","0.007","90","","94.97","0.03","90","","2073.3","1.6","180","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(benzylammonium) hexachlorotin(IV)","","- C14 H20 Cl6 N2 Sn -","- C14 H20 Cl6 N2 Sn -","- C56 H80 Cl24 N8 Sn4 -","4","1","DN1036","Rademeyer, Melanie","Bis(benzylammonium) hexachlorotin(IV)","Acta Crystallographica Section C","2004","60","2","m55","m56","10.1107/S0108270103028270","","","0.71073","MoKα","","0.063","0.053","","","0.115","0.12","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013751","11.438","0.002","13.869","0.002","15.635","0.005","90","","109.75","0.05","90","","2334.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(glutarato)dilanthanum(III) dihydrate","","- C15 H26 La2 O17 -","- C15 H26 La2 O17 -","- C60 H104 La8 O68 -","4","1","DN1038","Belkacem Benmerad; Acoura Guehria-Laïdoudi; Slimane Dahaoui; Claude Lecomte","A polynuclear coordination glutarate of lanthanum(III) with an uncommon cage feature","Acta Crystallographica Section C","2004","60","3","m119","m122","10.1107/S0108270104000848","","","0.71073","MoKα","","0.0798","0.0385","","","0.0747","0.0839","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013752","9.4222","0.0019","12.803","0.003","14.452","0.003","105.673","0.002","104.037","0.002","104.891","0.002","1528.3","0.6","184","2","184","2","","","","","","","","5","P -1","-P 1","2","","Tribiguanidomanganese(iV) biguuanidium hexanitrate","","- C8 H30 Mn N26 O18 -","- C8 H30 Mn N26 O18 -","- C16 H60 Mn2 N52 O36 -","2","1","FA1036","Lu, Liping; Zhu, Miaoli; Yang, Pin","Cocrystal of the [Mn^IV^(C~2~H~7~N~5~)~3~]^4+^ ion and biguanidium: a double hydrogen-bond interaction with guanidinium-recognizing anions","Acta Crystallographica Section C","2004","60","1","m18","m20","10.1107/S0108270103024892","","","0.71073","MoKα","","0.0578","0.0455","","","0.1053","0.11","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013753","14.2587","0.0009","8.5369","0.0006","14.9245","0.001","90","","90","","90","","1816.7","0.2","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-trimethylbenzamide","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","FA1038","Maria Gdaniec; Teresa Olszewska; Tadeusz Połoński","2,4,6-Trimethylbenzamide","Acta Crystallographica Section C","2004","60","1","o41","o43","10.1107/S0108270103026611","","","0.71073","MoKα","","0.0865","0.0425","","","0.0768","0.0903","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013754","10.7189","0.0009","11.1479","0.0013","17.0975","0.0016","102.472","0.006","106.903","0.006","94.8","0.006","1885","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis{bis[5-tert-butyl-2-oxido-3-(1-pyridiniomethyl)phenyl]methane}dioxouranium bis(trifluoromethanesulfonate) pyridine disolvate","","- C78 H86 F6 N6 O12 S2 U -","- C78 H86 F6 N6 O12 S2 U -","- C78 H86 F6 N6 O12 S2 U -","1","0.5","FA1040","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel; Masci, Bernardo","Bis{bis[5-<i>tert</i>-butyl-2-oxido-3-(1-pyridiniomethyl)phenyl]methane}dioxouranium bis(trifluoromethanesulfonate) pyridine disolvate: a uranyl bis(diphenoxide) complex resulting from homooxacalixarene cleavage","Acta Crystallographica Section C","2004","60","1","m27","m29","10.1107/S0108270103027513","","","0.71073","MoKα","","0.087","0.051","","","0.087","0.096","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013755","9.972","0.002","13.751","0.002","18.516","0.004","90","","97.047","0.008","90","","2519.8","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[bis(pyrimidin-2-yl-κN)amine](dicyanamido- κN^1^)(trifluoromethanesulfonato-κO)copper(II) ethanol hemisolvate","","- C20 H17 Cu F3 N13 O3.5 S -","- C19 H14 Cu F3 N13 O3 S -","- C76 H56 Cu4 F12 N52 O12 S4 -","4","1","FA1041","Kooijman, Huub; Spek, Anthony L.; Albada, Gerard A. van; Gamez, Patrick; Reedijk, Jan","Bis[bis(pyrimidin-2-yl-κ<i>N</i>)amine](dicyanamido-κ<i>N</i>^1^)(trifluoromethanesulfonato-κ<i>O</i>)copper(II) ethanol hemisolvate forms a hydrogen-bonded chain","Acta Crystallographica Section C","2004","60","2","m51","m54","10.1107/S0108270103028385","","","0.71073","MoKα","","0.085","0.043","","","0.095","0.104","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013756","6.878","0.001","9.0432","0.0014","15.613","0.002","73.631","0.017","82.265","0.016","82.091","0.018","918.2","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","1","0.5","FA1045","Jessica Pacifico; Helen Stoeckli-Evans","Two triclinic polymorphs of 2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2004","60","2","o152","o155","10.1107/S010827010400023X","","","0.71073","MoKα","","0.0863","0.0349","","","0.0695","0.0822","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013757","5.7641","0.0011","9.7771","0.0019","18.006","0.004","75.4","0.02","87.87","0.02","86.66","0.02","980","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","1","0.5","FA1045","Jessica Pacifico; Helen Stoeckli-Evans","Two triclinic polymorphs of 2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2004","60","2","o152","o155","10.1107/S010827010400023X","","","0.71073","MoKα","","0.1161","0.0344","","","0.0646","0.0859","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013758","9.835","0.003","19.229","0.002","16.75","0.006","90","","90","","90","","3167.7","1.5","208","2","","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C34 H26 Cd F4 N8 -","- C34 H26 Cd F4 N8 -","- C136 H104 Cd4 F16 N32 -","4","0.5","FA1048","Hörner, Manfredo; Carratu, Vanessa S.; Bordinhao, Jairo; Silva, Angela; Niquet, Elke","<i>cis</i>-Bis[1,3-bis(2-fluorophenyl)triazenido-κ^2^<i>N</i>^1^,<i>N</i>^3^]bis(pyridine-κ<i>N</i>)cadmium(II)","Acta Crystallographica Section C","2004","60","3","m140","m142","10.1107/S0108270104002380","","","0.71073","MoKα","","","0.0214","","","","0.053","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013759","7.0399","0.0007","12.5636","0.0012","8.6695","0.0008","90","","90","","90","","766.79","0.13","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","","N,N-dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate","","- C16 H13 N5 O2 -","- C16 H13 N5 O2 -","- C32 H26 N10 O4 -","2","0.5","FG1710","Tafeenko, Viktor A.; Peschar, Rene; Kaukova, Olga V.; Schenk, Henk; Aslanov, Leonid A.","<i>N</i>,<i>N</i>-Dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","Acta Crystallographica Section C","2004","60","1","o62","o64","10.1107/S0108270103025940","","","0.71073","MoKα","","0.0711","0.0492","","","0.1025","0.1124","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013760","5.4356","0.0016","13.992","0.004","17.955","0.005","90","","96.382","0.005","90","","1357.1","0.7","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-Pyridinio)-5-(3-pyridyl)-1,3,4-oxadiazole perchlorate","","- C12 H9 Cl N4 O5 -","- C12 H9 Cl N4 O5 -","- C48 H36 Cl4 N16 O20 -","4","1","FG1713","Miao Du; Xiao-Jun Zhao","Three-dimensional hydrogen-bonding supramolecular architecture of 2-(3-pyridinio)-5-(3-pyridyl)-1,3,4-oxadiazole perchlorate","Acta Crystallographica Section C","2004","60","1","o54","o56","10.1107/S0108270103026659","","","0.71073","MoKα","","0.1174","0.0595","","","0.1347","0.1547","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013761","6.3709","0.0003","6.3296","0.0003","14.5646","0.0006","90","","99.629","0.003","90","","579.05","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 F6 N8 Zr -","- C2 H14 F6 N8 Zr -","- C4 H28 F12 N16 Zr2 -","2","0.5","FG1714","C.R. Ross II; M. R. Bauer; R. M. Nielson; Abrahams, S. C.","Bis[aminoguanidinium(1+)] hexafluorozirconate(IV): redeterminations and normal probability analysis","Acta Crystallographica Section C","2004","60","1","m24","m26","10.1107/S0108270103027264","","","0.71073","MoKα","","0.0214","0.0187","","","0.0508","0.0529","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013762","6.3705","0.0004","6.3288","0.0009","14.563","0.0008","90","","99.606","0.004","90","","578.91","0.1","283","2","283","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aminoguanidinium(1+) hexafluorozirconate","","- C2 H14 F6 N8 Zr -","- C2 H14 F6 N8 Zr -","- C4 H28 F12 N16 Zr2 -","2","0.5","FG1714","C.R. Ross II; M. R. Bauer; R. M. Nielson; Abrahams, S. C.","Bis[aminoguanidinium(1+)] hexafluorozirconate(IV): redeterminations and normal probability analysis","Acta Crystallographica Section C","2004","60","1","m24","m26","10.1107/S0108270103027264","","","0.71073","MoKα","","0.0209","0.0186","","","0.0472","0.0492","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013763","7.954","0.006","9.681","0.007","14.037","0.01","90","","96.449","0.012","90","","1074","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-bipyridinium(1+) bromide monohydrate","","- C10 H11 Br N2 O -","- C10 H11 Br N2 O -","- C40 H44 Br4 N8 O4 -","4","1","FG1717","Bowen, Richard J.; Fernandes, Manuel A.; Gitari, Patricia W.; Layh, Marcus","2,2'-Bipyridinium(1+) bromide monohydrate","Acta Crystallographica Section C","2004","60","2","o113","o114","10.1107/S0108270103028282","","","0.71073","MoKα","","0.061","0.037","","","0.092","0.102","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013764","8.5159","0.0017","5.9128","0.0012","21.586","0.004","90","","96.32","0.03","90","","1080.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichloro(dimethyl sulfide-κS)(pyridine-κN)platinum(II)","","- C7 H11 Cl2 N Pt S -","- C7 H11 Cl2 N Pt S -","- C28 H44 Cl8 N4 Pt4 S4 -","4","1","FG1718","Burrow, Robert A.; Facco, Janaina T.; Lang, Ernesto S.; Farrar, David H.; Lough, Alan J.","<i>trans</i>-Dichloro(dimethyl sulfide-κ<i>S</i>)(pyridine-κ<i>N</i>)platinum(II)","Acta Crystallographica Section C","2004","60","1","m7","m9","10.1107/S0108270103026465","","","0.71073","MoKα","","0.068","0.038","","","0.076","0.082","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013765","5.9194","0.0008","5.9245","0.0008","10.5821","0.0014","90","","94.326","0.003","90","","370.05","0.09","208","2","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","acetone peroxide","3,3,6,6-tetramethyl-1,2,4,5-tetroxane","","- C6 H12 O4 -","- C6 H12 O4 -","- C12 H24 O8 -","2","0.5","FG1722","Gelalcha, Feyissa Gadissa; Schulze, Bärbel; Lönnecke, Peter","3,3,6,6-Tetramethyl-1,2,4,5-tetroxane: a twinned crystal structure","Acta Crystallographica Section C","2004","60","3","o180","o182","10.1107/S010827010400112X","","","0.71073","MoKα","","","0.0447","","","","0.1127","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013766","7.6817","0.0004","7.8385","0.0003","18.0466","0.0009","90","","97.708","0.002","90","","1076.82","0.09","100","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","FG1724","Bjorn Olesen; Marcus R. Bond","(1<i>E</i>)-2-(Diacetylamino)-1-methylprop-1-enyl acetate","Acta Crystallographica Section C","2004","60","3","o196","o197","10.1107/S0108270104000332","","","0.71073","MoKα","","0.0642","0.0416","","","0.0881","0.0991","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013767","20.983","0.0002","20.983","0.0002","7.6436","0.0001","90","","90","","120","","2914.5","0.05","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","cyclohexanone oxime","","- C6 H11 N O -","- C6 H11 N O -","- C108 H198 N18 O18 -","18","3","FG1726","Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.","Twinning by merohedry in cyclohexanone oxime: a revised structure","Acta Crystallographica Section C","2004","60","2","o127","o129","10.1107/S0108270103029196","","","0.71073","MoKα","","0.0463","0.0366","","","0.0899","0.0972","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013768","20.983","0.0003","20.983","0.0003","7.621","0.0001","90","","90","","120","","2905.88","0.07","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","cyclohexanone oxime","","- C6 H11 N O -","- C6 H11 N O -","- C108 H198 N18 O18 -","18","3","FG1726","Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.","Twinning by merohedry in cyclohexanone oxime: a revised structure","Acta Crystallographica Section C","2004","60","2","o127","o129","10.1107/S0108270103029196","","","0.71073","MoKα","","0.0412","0.0344","","","0.0849","0.0891","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013769","7.8727","0.0002","8.9846","0.0002","11.3927","0.0003","90","","96.345","0.001","90","","800.9","0.03","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeSalen","N,N-bis(2-methoxybenzylidene)ethane-1,2-diamine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","FG1727","Reglinski, John; Taylor, Michelle K; Kennedy, Alan R","<i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine","Acta Crystallographica Section C","2004","60","3","o169","o172","10.1107/S0108270104001404","","","0.71073","MoKα","","0.0407","0.0359","","","0.094","0.0978","","","","","","1.021","","","","has coordinates","192305","2020-10-21","18:00:00",""
"2013770","8.8669","0.0002","9.9139","0.0003","10.2724","0.0004","101.14","0.002","92.341","0.002","109.442","0.002","830.05","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","MeSalpr","N,N-bis(2-methoxybenzylidene)propane-1,3-diamine","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","FG1727","Reglinski, John; Taylor, Michelle K; Kennedy, Alan R","<i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine","Acta Crystallographica Section C","2004","60","3","o169","o172","10.1107/S0108270104001404","","","0.71073","MoKα","","0.0963","0.0468","","","0.1042","0.1216","","","","","","0.986","","","","has coordinates","192306","2020-10-21","18:00:00",""
"2013771","4.6903","0.0002","14.2387","0.0006","13.217","0.0005","90","","91.002","0.002","90","","882.55","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeSalbu","N,N-bis(2-methoxybenzylidene)butane-1,4-diamine","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","0.5","FG1727","Reglinski, John; Taylor, Michelle K; Kennedy, Alan R","<i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine","Acta Crystallographica Section C","2004","60","3","o169","o172","10.1107/S0108270104001404","","","0.71073","MoKα","","0.0824","0.0422","","","0.0884","0.1031","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013772","9.246","0.003","10.228","0.004","11.177","0.004","80.529","0.006","86.335","0.007","65.12","0.006","945.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-(4-chlorophenyl)-1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro- 1H-indol-4-one","","- C22 H19 Cl F N O -","- C22 H19 Cl F N O -","- C44 H38 Cl2 F2 N2 O2 -","2","1","FG1731","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","An analysis of C—H···O and C—H···π interactions in three substituted 4-ketotetrahydroindoles","Acta Crystallographica Section C","2004","60","3","o219","o222","10.1107/S0108270104002707","","","0.71073","MoKα","","0.0719","0.0502","","","0.1084","0.1182","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013773","10.112","0.002","19.073","0.004","11.287","0.003","90","","116.348","0.003","90","","1950.7","0.8","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro- 1H-indol-4-one","","- C23 H22 F N O2 -","- C23 H22 F N O2 -","- C92 H88 F4 N4 O8 -","4","1","FG1731","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","An analysis of C—H···O and C—H···π interactions in three substituted 4-ketotetrahydroindoles","Acta Crystallographica Section C","2004","60","3","o219","o222","10.1107/S0108270104002707","","","0.71073","MoKα","","0.0556","0.0413","","","0.0986","0.1062","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013774","9.315","0.005","9.793","0.005","11.048","0.006","81.362","0.009","65.691","0.007","77.999","0.008","896","0.8","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","6,6-dimethyl-1,2-diphenyl-4,5,6,7-tetrahydro-1H-indol-4-one","","- C22 H21 N O -","- C22 H21 N O -","- C44 H42 N2 O2 -","2","1","FG1731","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","An analysis of C—H···O and C—H···π interactions in three substituted 4-ketotetrahydroindoles","Acta Crystallographica Section C","2004","60","3","o219","o222","10.1107/S0108270104002707","","","0.71073","MoKα","","0.0522","0.0397","","","0.0964","0.1042","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013775","6.18","0.0012","44.16","0.009","9.774","0.002","90","","108.26","0.03","90","","2533.1","1","173","1","173","1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(1H-Indol-3-ylmethylene)-1-aza-bicyclo[2.2.2]octan-3-one","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","2","FR1450","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1<i>H</i>-Indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2004","60","1","o6","o8","10.1107/S0108270103026076","","","0.71073","MoKα","","0.0595","0.0482","","","0.0778","0.0804","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013776","15.4723","0.0002","10.5669","0.0008","11.185","0.0008","90","","98.9","0.003","90","","1806.67","0.19","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(2-Chlorophenyl)diazenyl]-6-methoxy-2- {[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1-one","","- C18 H20 Cl N3 O5 -","- C18 H20 Cl N3 O5 -","- C72 H80 Cl4 N12 O20 -","4","1","FR1451","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Thöne, Carsten; Erdönmez, Ahmet","4-[(2-Chlorophenyl)diazenyl]-6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2004","60","2","o133","o135","10.1107/S010827010302941X","","","0.71073","MoKα","","0.055","0.0369","","","0.0963","0.1054","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013777","11.579","0.001","17.4011","0.0015","13.0453","0.0011","90","","110.488","0.002","90","","2462.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8bS,13aS,14R,14aR)-8b,9,11,12,13,13a,14,14a-octahydro-14-hydroxy-2,3,6,7- tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one acetone solvate","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C108 H132 N4 O28 -","4","1","FR1452","Nygren, Cara; Chen, Tianniu; Zhong, Sanbao; Kaczmarek, Conrad; Turner, John F. C.; Baker, David C.","A pair of epimeric 13-hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexahydro-9<i>H</i>-9a-azacyclopenta[<i>b</i>]triphenylene-10-ones","Acta Crystallographica Section C","2004","60","3","o208","o210","10.1107/S0108270104001659","","","0.71073","MoKα","","0.1009","0.0461","","","0.0995","0.1266","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013778","13.0534","0.0016","14.9664","0.0018","21.356","0.003","90","","90","","90","","4172.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(8bS,13aS,14S,14aR)-8b,9,11,12,13,13a,14,14a-octahydro-14-hydroxy-2,3,6,7- tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C192 H216 N8 O48 -","8","2","FR1452","Nygren, Cara; Chen, Tianniu; Zhong, Sanbao; Kaczmarek, Conrad; Turner, John F. C.; Baker, David C.","A pair of epimeric 13-hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexahydro-9<i>H</i>-9a-azacyclopenta[<i>b</i>]triphenylene-10-ones","Acta Crystallographica Section C","2004","60","3","o208","o210","10.1107/S0108270104001659","","","0.71073","MoKα","","0.0437","0.0326","","","0.0827","0.0861","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013779","10.2","0.003","17.594","0.005","22.76","0.007","90","","100.2","0.005","90","","4020","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-dichloro-cis-Bis(3,6-dimethylcarbazolyl)-cis- bis(tetrahydrofuran)zirconium(IV) benzene sesquisolvate","","- C45 H49 Cl2 N2 O2 Zr -","- C45 H49 Cl2 N2 O2 Zr -","- C180 H196 Cl8 N8 O8 Zr4 -","4","1","FR1455","Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.","<i>trans</i>-Dichloro-<i>cis</i>-bis(3,6-dimethylcarbazolyl)-<i>cis</i>-bis(tetrahydrofuran)zirconium(IV) benzene sesquisolvate","Acta Crystallographica Section C","2004","60","1","m4","m6","10.1107/S0108270103026258","","","0.71073","MoKα","","0.0484","0.0316","","","0.0753","0.085","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013780","6.7298","0.0008","7.2091","0.0011","8.4367","0.0012","85.928","0.013","83.075","0.017","82.132","0.016","401.88","0.1","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","4-Oxocyclohexanecarboxylic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C14 H24 O8 -","2","1","FR1456","Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","4-Oxocyclohexanecarboxylic acid: hydrogen bonding in the monohydrate of a δ-keto acid","Acta Crystallographica Section C","2004","60","2","o140","o142","10.1107/S0108270103029329","","","0.71073","MoKα","","0.083","0.045","","","0.09","0.105","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013781","5.1549","0.0003","6.9872","0.0004","13.9097","0.0008","77.747","0.003","84.255","0.003","70.508","0.003","461.3","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","trans-Bis(3-isopropyl-7-oxocyclohepta-1,3,5-trienolato)copper(II), Triclinic Form Ia","","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","1","0.5","FR1457","Arvanitis, Georgia M.; Berardini, Michael E.; Ho, Douglas M.; .","Two new polymorphs of <i>trans</i>-bis(hinokitiolato)copper(II)","Acta Crystallographica Section C","2004","60","3","m126","m128","10.1107/S0108270104001957","","","0.71073","MoKα","","0.0803","0.0482","","0.15","","0.1074","","","1.069","","","1.076","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013782","8.741","0.0002","6.747","0.0001","15.3448","0.0004","90","","100.8","0.001","90","","888.94","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trans-Bis(3-Isopropyl-7-oxocyclohepta-1,3,5-trienolato)copper(II), Monoclinic Form Ib","","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","- C40 H44 Cu2 O8 -","2","0.5","FR1457","Arvanitis, Georgia M.; Berardini, Michael E.; Ho, Douglas M.","Two new polymorphs of <i>trans</i>-bis(hinokitiolato)copper(II)","Acta Crystallographica Section C","2004","60","3","m126","m128","10.1107/S0108270104001957","","","0.71073","MoKα","","0.0659","0.0477","","0.1273","","0.1116","","","1.12","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013783","11.455","0.002","9.1008","0.0017","14.779","0.003","90","","106.993","0.003","90","","1473.4","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","CBS Oxazaborolidine dimer","3,3,3',3'-tetraphenyl-1,1'-spirobi(3a,4,5,6-tetrahydro-3H- pyrrolo[1,2-c][1,3,2]oxazaborole)‒7-borane","","- C34 H38 B2 N2 O2 -","- C34 H38 B2 N2 O2 -","- C68 H76 B4 N4 O4 -","2","1","FR1462","Ortiz-Marciales, Margarita; De Jesús, Melvin; Gonzáles, Eduvigis; Raptis, Raphael G.; Baran, Peter","A 1,3,2-oxazaborolidine dimer derived from (<i>S</i>)-α,α-diphenylprolinol","Acta Crystallographica Section C","2004","60","3","o173","o175","10.1107/S0108270104000666","","","0.71073","MoKα","","0.0621","0.0436","","","0.1073","0.1256","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013784","12.9887","0.0017","6.075","0.002","18.7903","0.0016","90","","104.701","0.008","90","","1434.1","0.5","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","sp-9-(o-Methylphenyl)fluorene","","- C20 H16 -","- C20 H16 -","- C80 H64 -","4","1","FR1463","Meyers, Cal Y.; Robinson, Paul D.; McLean, Aaron W.","<i>sp</i>-9-(<i>o</i>-Methylphenyl)fluorene","Acta Crystallographica Section C","2004","60","2","o156","o157","10.1107/S010827010400040X","","","0.71069","MoKα","","0.094","0.05","","","0.144","0.166","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013785","6.639","0.003","13.53","0.006","11.91","0.005","90","","107.25","0.03","90","","1021.7","0.8","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","GA1026","Yamamoto, Chishou; Matsumoto, Taisuke; Watanabe, Masataka; Hitzer, Eckhard M. S.; Mataka, Shuntaro; Thiemann, Thies","6-[3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7β-yl]hexanenitrile","Acta Crystallographica Section C","2004","60","2","o130","o132","10.1107/S010827010302866X","","","0.7107","MoKα","","","0.035","","","","0.082","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013786","15.889","0.005","22.07","0.007","25.941","0.008","90","","90","","90","","9097","5","123","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78.44 H138 Co N13 O28.04 P2 -","- C78.437 H134.874 Co N13 O28.042 P2 -","- C313.748 H539.496 Co4 N52 O112.168 P8 -","4","1","GA1038","Susan M. Chemaly; Helder M. Marques; Christopher B. Perry","Diisopropylphosphitocobalamin‒acetone‒water (1/3.48/7.56)","Acta Crystallographica Section C","2004","60","2","m88","m90","10.1107/S0108270104000344","","","0.71073","MoKα","","","0.041","","","","0.0949","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013787","6.52","0.0013","10.172","0.002","18.871","0.004","90","","90","","90","","1251.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1,10-phenantholine-κ^2^N,N')(μ~3~-thiosulfato-κ^3^S:S:O)cadmium(II)","","- C12 H8 Cd N2 O3 S2 -","- C12 H8 Cd N2 O3 S2 -","- C48 H32 Cd4 N8 O12 S8 -","4","1","GA1040","Harvey, Miguel; Baggio, Sergio; Pardo, Helena; Baggio, Ricardo","A novel five-coordinate cadmium phenanthroline thiosulfate","Acta Crystallographica Section C","2004","60","2","m79","m81","10.1107/S0108270104000186","","","0.71073","MoKα","","0.0384","0.0305","","","0.0865","0.1402","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013788","7.2713","0.001","8.586","0.0009","9.8424","0.0014","77.123","0.011","77.785","0.012","79.825","0.01","580.03","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-bromo-N-(2-hydroxy-1,1-dimethylethyl)benzamide","","- C11 H14 Br N O2 -","- C11 H14 Br N O2 -","- C22 H28 Br2 N2 O4 -","2","1","GD1280","Wu, Yao-Wen; Wang, Ru-Ji; Jiang, Yu-Yang; Fu, Hua; Zhao, Yu-Fen","Displaced π‒π stacking and hydrogen bonds in 3-bromo-<i>N</i>-(2-hydroxy-1,1-dimethylethyl)benzamide","Acta Crystallographica Section C","2004","60","3","o178","o179","10.1107/S0108270103025824","","","0.71073","MoKα","","0.0589","0.037","","","0.0869","0.0966","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013789","8.9414","0.0006","8.9955","0.0006","11.7433","0.0006","105.001","0.004","93.265","0.006","98.902","0.006","896.69","0.1","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","5-Methoxy-3-pentyl-indole-1-carboxylic acid tert-butyl ester","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","GD1287","Gallagher, John F.; Coleman, Claire M.; O'Shea, Donal F.","<i>tert</i>-Butyl 5-methoxy-3-pentylindole-1-carboxylate","Acta Crystallographica Section C","2004","60","2","o149","o151","10.1107/S0108270103028154","","","0.71073","MolybdenumKα","","0.0665","0.0475","","","0.1195","0.133","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013790","9.0573","0.0007","17.1999","0.0013","37.754","0.009","90","","90","","90","","5881.5","1.5","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","(pyrimidine-2-thionato-κS)(pyrimidinium-2-thionato-κS)mercury(II) tetrabromomercury(II)","","- C16 H14 Br4 Hg3 N8 S4 -","- C16 H14 Br4 Hg3 N8 S4 -","- C128 H112 Br32 Hg24 N64 S32 -","8","0.25","GD1289","Matković-Čalogović, Dubravka; Mrvoš-Sermek, Draginja; Popović, Zora; Soldin, Željka","A new complex of HgBr~2~ and pyrimidine-2-thione: (pyrimidine-2-thionato-κ<i>S</i>)(pyrimidinium-2-thionato-κ<i>S</i>)mercury(II) tetrabromomercury(II)","Acta Crystallographica Section C","2004","60","2","m44","m46","10.1107/S0108270103028014","","","0.71073","MoKα","","0.101","0.054","","","0.126","0.145","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013791","9.111","0.001","5.9921","0.0007","9.408","0.001","90","","106.71","0.002","90","","491.93","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C24 H20 O4 -","2","0.5","GD1290","Bruce, Michael I; Head, Nicholas J.; Skelton, Brian W.; White, Allan H.","1,4-Diethynyl-2,5-dimethoxybenzene at <i>ca</i> 150 K","Acta Crystallographica Section C","2004","60","1","o60","o61","10.1107/S0108270103027124","","","0.71073","MoKα","","0.062","0.044","","0.054","","0.05","","","1.032","","","1.106","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013792","7.0302","0.0002","9.9377","0.0002","17.8571","0.0005","90","","98.279","0.001","90","","1234.57","0.06","100","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl2 N2 O2 -","- C10 H16 Cl2 N2 O2 -","- C40 H64 Cl8 N8 O8 -","4","1","GD1295","Muir, Kenneth W.; Morris, David G.; Chii, Cindy Ong Woei","4-Chloro-<i>N</i>-(trimethylammonio)benzamide chloride monohydrate","Acta Crystallographica Section C","2004","60","2","o125","o126","10.1107/S0108270103029421","","","0.71073","MoKα","","","0.0295","","","","0.0732","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013793","16.1522","0.0001","10.4928","0.0001","18.9161","0.0003","90","","90","","90","","3205.93","0.06","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(arsenato)fluorohydroxotrigallium 1,3-diaminopropane monohydrate","","- C3 H15 As3 F Ga3 N2 O14 -","- C3 H12 As3 F Ga3 N2 O14 -","- C24 H96 As24 F8 Ga24 N16 O112 -","8","1","GD1296","Loiseau, Thierry; Ferey, Gerard","A novel gallium arsenate organically templated by propane-1,3-diyldiammonium with a ULM-3-type open framework: [Ga~3~(AsO~4~)~3~(OH)F](C~3~H~12~N~2~)·H~2~O","Acta Crystallographica Section C","2004","60","3","i30","i32","10.1107/S010827010400071X","","","0.71073","MoKα","","0.0454","0.0354","","","0.085","0.087","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013794","3.672","0.0007","10.417","0.002","28.749","0.006","90","","90.89","0.03","90","","1099.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","melaminium maleate monohydrate","2,4,6-triamino-1,3,5-triazin-1-ium maleate monohydrate","","- C7 H12 N6 O5 -","- C7 H12 N6 O5 -","- C28 H48 N24 O20 -","4","1","GD1299","Janczak, Jan; Perpétuo, Genivaldo Julio","Melaminium maleate monohydrate","Acta Crystallographica Section C","2004","60","3","o211","o214","10.1107/S0108270104002227","","","0.71073","MoKα","","0.0511","0.0367","","","0.043","0.0499","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013795","12.555","0.003","7.2688","0.0015","17.366","0.004","90","","107.85","0.03","90","","1508.5","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate","","- C14 H16 F3 N3 O4 -","- C14 H16 F3 N3 O4 -","- C56 H64 F12 N12 O16 -","4","1","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.0681","0.0483","","","0.1192","0.1345","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013796","8.8211","0.0018","11.717","0.002","15.528","0.003","86.55","0.03","81.97","0.03","90","0.03","1586.3","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate","","- C14 H16 F3 N3 O4 -","- C14 H16 F3 N3 O4 -","- C56 H64 F12 N12 O16 -","4","2","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.0959","0.0657","","","0.163","0.1941","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013797","13.39","0.003","9.853","0.002","12.503","0.003","90","","102.97","0.03","90","","1607.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[4-nitro-2-(trifluoromethyl)phenyl]-4-phenylpiperazine","","- C17 H16 F3 N3 O2 -","- C17 H16 F3 N3 O2 -","- C68 H64 F12 N12 O8 -","4","1","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.0749","0.0458","","","0.1153","0.1307","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013798","30.6687","0.0012","9.9731","0.0003","10.4592","0.0003","90","","95.8496","0.001","90","","3182.41","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-nitro-4-(trifluoromethyl)phenyl]-4-phenylpiperazine","","- C17 H16 F3 N3 O2 -","- C17 H16 F3 N3 O2 -","- C136 H128 F24 N24 O16 -","8","2","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.1312","0.053","","","0.0963","0.1193","","","","","","0.952","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013799","13.562","0.002","5.3311","0.0008","13.142","0.002","90","","117.9","0.006","90","","839.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-nitrothiazole monoethanol solvate","","- C5 H9 N3 O3 S -","- C5 H9 N3 O3 S -","- C20 H36 N12 O12 S4 -","4","1","GG1195","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Amino-5-nitrothiazole monoethanol solvate: triply-interwoven hydrogen-bonded sheets containing centrosymmetric <i>R</i>_<b>2</b>^<b>2</b>(8) and <i>R</i> _<b>10</b>^<b>10</b>(38) rings","Acta Crystallographica Section C","2004","60","1","o15","o18","10.1107/S0108270103024533","","","0.71073","MoKα","","0.1495","0.0723","","","0.1517","0.1813","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013800","8.2556","0.0003","15.3414","0.0008","7.2521","0.0004","90","","115.496","0.003","90","","829.05","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-3-iodo-5-nitrobenzaldehyde","","- C7 H4 I N O4 -","- C7 H4 I N O4 -","- C28 H16 I4 N4 O16 -","4","1","GG1198","Garden, Simon J.; Cunha, Fernando R. da; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C—H···O, iodo‒nitro and aromatic π‒π stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole","Acta Crystallographica Section C","2004","60","1","o12","o14","10.1107/S0108270103025654","","","0.71073","MoKα","","0.05","0.033","","","0.069","0.074","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013801","32.999","0.002","4.2305","0.0003","14.8328","0.0011","90","","95.225","0.002","90","","2062.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diiodo-6-nitroanisole","","- C7 H5 I2 N O3 -","- C7 H5 I2 N O3 -","- C56 H40 I16 N8 O24 -","8","1","GG1198","Garden, Simon J.; Cunha, Fernando R. da; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C—H···O, iodo‒nitro and aromatic π‒π stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole","Acta Crystallographica Section C","2004","60","1","o12","o14","10.1107/S0108270103025654","","","0.71073","MoKα","","0.143","0.053","","","0.124","0.154","","","","","","0.889","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013802","6.665","0.0005","3.6962","0.0003","23.639","0.002","90","","95.208","0.003","90","","579.95","0.08","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(3-Nitrophenyl)phthalimide","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C28 H16 N4 O8 -","2","1","GG1199","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A three-dimensional hydrogen-bonded framework in <i>N</i>-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in <i>N</i>-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions","Acta Crystallographica Section C","2004","60","1","o24","o27","10.1107/S0108270103026052","","","0.71073","MoKα","","0.0878","0.0479","","","0.0986","0.1162","","","","","","0.875","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013803","5.0936","0.0007","12.6297","0.0018","10.366","0.002","90","","101.335","0.006","90","","653.84","0.18","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","N-(3,5-Dinitrophenyl)phthalimide","","- C14 H7 N3 O6 -","- C14 H7 N3 O6 -","- C28 H14 N6 O12 -","2","0.5","GG1199","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A three-dimensional hydrogen-bonded framework in <i>N</i>-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in <i>N</i>-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions","Acta Crystallographica Section C","2004","60","1","o24","o27","10.1107/S0108270103026052","","","0.71073","MoKα","","0.1019","0.052","","","0.1094","0.1284","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013804","3.707","0.0002","6.3963","0.0003","15.4047","0.001","90","","95.064","0.002","90","","363.84","0.04","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C14 H14 N6 O4 -","2","1","GG1201","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in nitroaniline analogues: 4-nitrobenzaldehyde hydrazone forms hydrogen-bonded sheets of <i>R</i>_<b>4</b>^<b>4</b>(26) rings","Acta Crystallographica Section C","2004","60","1","o33","o34","10.1107/S010827010302657X","","","0.71073","MoKα","","0.0473","0.0402","","","0.0964","0.1018","","","","","","1.165","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013805","4.5985","0.0002","9.6973","0.0005","16.3968","0.0008","90","","94.935","0.003","90","","728.47","0.06","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E,E)-1,4-Diethyl-1,4-diphenyl-2,3-diazabutadiene","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","0.5","GG1202","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(<i>E</i>,<i>E</i>)-1,4-Diethyl-1,4-diphenyl-2,3-diazabutadiene","Acta Crystallographica Section C","2004","60","1","o38","o40","10.1107/S0108270103026635","","","0.71073","MoKα","","0.0647","0.0443","","","0.1064","0.1157","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013806","7.2761","0.0002","14.8881","0.0005","23.0407","0.0006","90","","90","","90","","2495.94","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(2-Nitrophenyl)benzamide-2-carboxylic acid","2-(2-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","1","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.093","0.049","","","0.1","0.115","","","","","","0.982","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013807","3.9188","0.0002","12.6896","0.0006","27.7029","0.0016","90","","90","","90","","1377.61","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(4-Nitrophenyl)benzamide-2-carboxylic acid, orthorhombic polymorph","2-(4-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C56 H40 N8 O20 -","4","1","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.087","0.055","","","0.114","0.123","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013808","10.2098","0.001","9.3749","0.0008","27.409","0.002","90","","100.578","0.004","90","","2578.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(4-Nitrophenyl)benzamide-2-carboxylic acid, monoclinic polymorph","2-(4-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","2","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.165","0.069","","","0.133","0.166","","","","","","0.989","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013809","9.7328","0.001","7.9105","0.0006","7.9803","0.0007","90","","96.578","0.004","90","","610.37","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F5 H2 K2 O V -","- F5 H2 K2 O V -","- F20 H8 K8 O4 V4 -","4","0.5","IZ1034","Zhaoxun Lian; Changcang Huang; Xihe Huang","Dipotassium aquapentafluorovanadate","Acta Crystallographica Section C","2004","60","1","i9","i10","10.1107/S0108270103026994","","","0.71069","MoKα","","0.0218","0.0199","","","0.0533","0.0539","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013810","6.8348","0.0002","8.8863","0.0003","9.8177","0.0003","90","","101.789","0.001","90","","583.71","0.03","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","indium holmiuium digermanate","","- Ge2 Ho In O7 -","- Ge2 Ho In O7 -","- Ge8 Ho4 In4 O28 -","4","0.5","IZ1037","Juarez-Arellano, Erick A.; Rosales, Ivonne; Oliver, Alicia; Ruvalcaba, Jose Luis; Carbonio, Raul E.; Bucio, Lauro; Orozco, Eligio","In~1.06~Ho~0.94~Ge~2~O~7~: a thortveitite-type compound","Acta Crystallographica Section C","2004","60","2","i14","i16","10.1107/S0108270103029056","","","1.5418","CuKα","","","","","","","","","","1.43","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013811","8.021","0.002","20.457","0.004","8.739","0.002","90","","107.41","0.03","90","","1368.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cesium tetrachromate","dicesium tetrachromium(VI) oxide","","- Cr4 Cs2 O13 -","- Cr4 Cs2 O13 -","- Cr16 Cs8 O52 -","4","1","IZ1038","Kolitsch, Uwe","Cs~2~Cr~4~O~13~: a new structure type among alkali tetrachromates","Acta Crystallographica Section C","2004","60","2","i17","i19","10.1107/S0108270103029068","","","0.71073","MoKα","","0.0336","0.0243","","","0.0557","0.0588","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013812","17.5679","0.001","7.1586","0.0003","17.73","0.001","90","","105.203","0.004","90","","2151.7","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","12-Oxa-5,7-diazadibenzo[a,f]cyclonona-1,6-dien-6-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","JZ1596","Böhmer, Volker; Meshcheryakov, Denys; Thondorf, Iris; Bolte, Michael","3-Oxa-6,8-diaza-1,2:4,5-dibenzocycloocta-1,4-dien-7-one: a three-dimensional network assembled by hydrogen-bonding, π‒π and edge-to-face interactions","Acta Crystallographica Section C","2004","60","2","o136","o139","10.1107/S0108270103027586","","","0.71073","MoKα","","0.042","0.035","","","0.091","0.093","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013813","19.697","0.004","7.152","0.001","12.949","0.003","90","","100.34","0.02","90","","1794.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-[(2,4-dinitrophenyl)hydrazonomethyl]benzene-1,3-diol N,N-dimethylformamide solvate","2,4-dihydroxybenzaldehyde 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate","","- C16 H17 N5 O7 -","- C16 H17 N5 O7 -","- C64 H68 N20 O28 -","4","1","LN1175","Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.","2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone","Acta Crystallographica Section C","2004","60","2","o103","o106","10.1107/S0108270103027197","","","0.71073","MoKα","","0.109","0.051","","","0.113","0.137","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013814","7.928","0.001","9.146","0.001","14.362","0.002","104.45","0.01","91.04","0.01","108.8","0.01","949.1","0.2","293","2","288","2","","","","","","","","4","P -1","-P 1","2","4-{1-[(2,4-dinitrophenyl)-hydrazono]ethyl}benzene-1,3-diol N,N-dimethylformamide solvate","2,4-dihydroxyacetophenone 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate","","- C17 H19 N5 O7 -","- C17 H19 N5 O7 -","- C34 H38 N10 O14 -","2","1","LN1175","Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.","2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone","Acta Crystallographica Section C","2004","60","2","o103","o106","10.1107/S0108270103027197","","","0.71073","MoKα","","0.079","0.047","","","0.123","0.142","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013815","7.8155","0.0009","11.549","0.002","13.904","0.002","100.38","0.01","95.8","0.01","102.74","0.01","1191","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-{[(2,4-dinitrophenyl)hydrazono]phenylmethyl}benzene-1,3-diol N,N-dimethylacetamide solvate","2,4-dihydroxybenzophenone 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate","","- C23 H23 N5 O7 -","- C23 H23 N5 O7 -","- C46 H46 N10 O14 -","2","1","LN1175","Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.","2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone","Acta Crystallographica Section C","2004","60","2","o103","o106","10.1107/S0108270103027197","","","0.71073","MoKα","","0.097","0.057","","","0.146","0.171","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013816","12.016","0.003","10.347","0.002","19.233","0.004","90","","90","","90","","2391.2","0.9","293","2","293","2","","","","","","","","2","P c a 21","P 2c -2ac","29","COT-dimer","6a,6b,12a,12b-tetrahydrocycloocta[3,4]cyclobuta[a]cyclooctene","","- C16 H16 -","- C16 H16 -","- C128 H128 -","8","2","LN1180","Mehta, Goverdhan; Vanessa, Gagliardini; Islam, Kabirul; Kailasam Venkatesan","6a,6b,12a,12b-Tetrahydrocycloocta[3,4]cyclobuta[1,2][8]annulene","Acta Crystallographica Section C","2004","60","1","o90","o93","10.1107/S0108270103024181","","","0.71073","MoKα","","0.0507","0.0419","","","0.1089","0.1149","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013817","12.6847","0.0017","9.2934","0.0017","16.266","0.003","90","","90","","90","","1917.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17-Oxo-5α-androst-6-en-3β-yl acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","NA1627","Paixão, J. I. F.; Salvador, J. A. R.; Paixão, J. A.; Beja, A. M.; Ramos Silva, M.; Gonsalves, A. M. d'A. R.","17-Oxo-5α-androst-6-en-3β-yl acetate","Acta Crystallographica Section C","2004","60","1","o72","o74","10.1107/S0108270103026933","","","0.71073","MoKα","","0.129","0.044","","","0.103","0.13","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013818","9.6876","0.0009","10.2079","0.001","11.3561","0.0011","86.808","0.001","72.141","0.001","64.928","0.001","964.58","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-dihydrogen benzene-1,2,4,5- tetracarboxylato]","","- C22 H14 Co N2 O9 -","- C22 H14 Co N2 O9 -","- C44 H28 Co2 N4 O18 -","2","1","NA1629","Mao-Lin Hu; Hong-Ping Xiao; Ji-Xin Yuan","Polymeric aqua(μ~4~-dihydrogen benzene-1,2,4,5-tetracarboxylato)(1,10-phenanthroline)cobalt(II)","Acta Crystallographica Section C","2004","60","3","m112","m113","10.1107/S0108270103029445","","","0.71073","MoKα","","0.0259","0.0252","","","0.0651","0.0656","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013819","12.7655","0.0005","12.7655","0.0005","24.1122","0.0011","90","","90","","90","","3929.3","0.3","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","0.5","NA1630","Masci, Bernardo; Levi Mortera, Stefano; Seralessandri, Luca; Thuéry, Pierre","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde and 6,6'-di-<i>tert</i>-butyl-8,8'-methylenebis(spiro[4<i>H</i>-1,3-benzodioxin-2,1'-cyclohexane])","Acta Crystallographica Section C","2004","60","2","o107","o109","10.1107/S0108270103027859","","","0.71073","MoKα","","0.0648","0.045","","","0.114","0.1297","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013820","12.7635","0.001","10.0278","0.0009","23.2629","0.0013","90","","91.496","0.005","90","","2976.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6,6'-di-tert-butyl-8,8'-methylenebis(spiro[4H-1,3-benzodioxine-2,1'- cyclohexane])","","- C35 H48 O4 -","- C35 H48 O4 -","- C140 H192 O16 -","4","1","NA1630","Masci, Bernardo; Levi Mortera, Stefano; Seralessandri, Luca; Thuéry, Pierre","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde and 6,6'-di-<i>tert</i>-butyl-8,8'-methylenebis(spiro[4<i>H</i>-1,3-benzodioxin-2,1'-cyclohexane])","Acta Crystallographica Section C","2004","60","2","o107","o109","10.1107/S0108270103027859","","","0.71073","MoKα","","0.1089","0.0556","","","0.1214","0.1469","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013821","9.582","0.003","10.157","0.003","11.384","0.004","90.305","0.006","105.358","0.006","112.405","0.005","980.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine -2,2-dicarboxylate","","- C20 H20 F N O6 -","- C20 H20 F N O6 -","- C40 H40 F2 N2 O12 -","2","1","NA1631","Ray, Jayanta Kumar; Haldar, Pranab; Canle L., M.; Santaballa, J. A.; Mahía, Jose","Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate and diethyl 1-(3,4-dichlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section C","2004","60","3","o163","o165","10.1107/S0108270103029111","","","0.71073","MoKα","","0.07","0.0461","","","0.1159","0.1297","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013822","9.5478","0.0009","10.2319","0.0009","12.5088","0.0011","72.749","0.002","86.206","0.002","64.31","0.002","1048.91","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 1-(3,4-dchlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate","","- C20 H19 Cl2 N O6 -","- C20 H19 Cl2 N O6 -","- C40 H38 Cl4 N2 O12 -","2","1","NA1631","Ray, Jayanta Kumar; Haldar, Pranab; Canle L., M.; Santaballa, J. A.; Mahía, Jose","Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate and diethyl 1-(3,4-dichlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section C","2004","60","3","o163","o165","10.1107/S0108270103029111","","","0.71073","MoKα","","0.0709","0.0482","","","0.1252","0.1402","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013823","23.721","0.005","7.18","0.001","13.961","0.003","90","","100.45","0.03","90","","2338.4","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^N:N'] 3-fluorobenzoate monohydrate]","","- C9 H14 Ag F N2 O3 -","- C9 H14 Ag F N2 O3 -","- C72 H112 Ag8 F8 N16 O24 -","8","1","NA1632","You, Zhong-Lu; Yang, Li; Zou, Ying; Zeng, Wei-Jie; Liu, Wei-Sheng; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>'] 3-fluorobenzoate monohydrate]","Acta Crystallographica Section C","2004","60","3","m117","m118","10.1107/S0108270103028683","","","0.71073","MoKα","","0.0507","0.04","","","0.0864","0.0912","","","","","","1.072","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013824","11.102","0.002","15.478","0.003","14.493","0.003","90","","104.75","0.01","90","","2408.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[μ-4,4'-bipyridyl-bis[aqua(p-aminobenzoato)copper(II)]]- di-μ-4,4'-bipyridyl] dinitrate tetrahydrate]","","- C44 H48 Cu2 N10 O16 -","- C44 H48 Cu2 N10 O16 -","- C88 H96 Cu4 N20 O32 -","2","0.5","NA1636","Hu, Da-Hua; Huang, Wei; Cui, Kai; Li, Yi-Zhi; Gou, Shao-Hua; Yan, Ji-Lin","A polymeric ladder complex: <i>catena</i>-poly[[[μ-4,4'-bipyridyl-bis[aqua(<i>p</i>-aminobenzoato)copper(II)]]-di-μ-4,4'-bipyridyl] dinitrate tetrahydrate]","Acta Crystallographica Section C","2004","60","2","m91","m93","10.1107/S0108270104000411","","","0.71073","MoKα","","0.0439","0.038","","","0.1097","0.1124","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013825","10.006","0.004","13.347","0.002","15.531","0.002","103.71","0.01","102.78","0.02","108.37","0.02","1811.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(N,N-di-n-butyldithiocarbamato-κ^2^S,S')(1,10-phenanthroline- κ^2^N,N')zinc(II) ethanol hemisolvate","","- C31 H47 N4 O0.5 S4 Zn -","- C31 H47 N4 O0.5 S4 Zn -","- C62 H94 N8 O S8 Zn2 -","2","1","NA1638","Reck, Günter; Becker, Roland","Phenanthroline complexes of zinc and calcium carbamates","Acta Crystallographica Section C","2004","60","3","m134","m136","10.1107/S0108270104001441","","","0.71073","MoKα","","0.0465","0.0434","","","0.1464","0.1492","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","203559","2020-10-21","18:00:00",""
"2013826","11.875","0.004","13.129","0.002","17.547","0.004","72.29","0.01","80.91","0.02","84.2","0.02","2569.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(N,N-di-n-hexyldithiocarbamato-κ^2^S,S')bis(1,10-phenanthroline- κ^2^N,N')calcium(II)","","- C50 H68 Ca N6 S4 -","- C50 H68 Ca N6 S4 -","- C100 H136 Ca2 N12 S8 -","2","1","NA1638","Reck, Günter; Becker, Roland","Phenanthroline complexes of zinc and calcium carbamates","Acta Crystallographica Section C","2004","60","3","m134","m136","10.1107/S0108270104001441","","","0.71073","MoKα","","0.0461","0.0423","","","0.1489","0.1546","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013827","15.4031","0.0008","5.8621","0.0004","15.4902","0.0009","90","","113.237","0.003","90","","1285.22","0.14","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(1-Methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C64 H48 N8 S4 -","4","1","NA1640","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1-Methyl-1<i>H</i>-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile","Acta Crystallographica Section C","2004","60","3","o217","o218","10.1107/S0108270104002550","","","0.71073","MoKα","","0.0859","0.0517","","","0.11","0.1255","","","","","","1.565","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013828","34.136","0.007","6.4633","0.0013","26.356","0.005","90","","123.85","0.03","90","","4829","2","190","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H20 F20 Fe N4 -","- C56 H20 F20 Fe N4 -","- C224 H80 F80 Fe4 N16 -","4","0.5","OB1150","Oh, Yunghee; Shin, Byoung-Chul; Swenson, Dale; Goff, Harold M.; Kang, Sung Kwon","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]iron(II) benzene disolvate","Acta Crystallographica Section C","2004","60","2","m57","m59","10.1107/S0108270103028051","","","0.71073","MoKα","","","0.0369","","","","0.1087","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013829","7.4169","0.0004","21.5662","0.001","8.7502","0.0004","90","","90.257","0.001","90","","1399.62","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-bis(2-aminomethylpyridine-κ^2^N,N')bis(saccharinato-κN)zinc(II)","","- C26 H24 N6 O6 S2 Zn -","- C26 H24 N6 O6 S2 Zn -","- C52 H48 N12 O12 S4 Zn2 -","2","0.5","OB1151","Yilmaz, Veysel T.; Caglar, Sema; Harrison, William T. A.","Bis(saccharinato-κ<i>N</i>)zinc(II) complexes with <i>N</i>,<i>N</i>'-bidentate 2-aminomethylpyridine and 2-aminoethylpyridine","Acta Crystallographica Section C","2004","60","1","m35","m38","10.1107/S0108270103027653","","","0.71073","MoKα","","0.0652","0.0408","","","0.1015","0.1105","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013830","9.1654","0.0004","13.9784","0.0006","17.4679","0.0007","90","","100.522","0.001","90","","2200.31","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2-aminoethylpyridine-κ^2^N,N')bis(saccharinato-κN)zinc(II)","","- C21 H18 N4 O6 S2 Zn -","- C21 H18 N4 O6 S2 Zn -","- C84 H72 N16 O24 S8 Zn4 -","4","1","OB1151","Yilmaz, Veysel T.; Caglar, Sema; Harrison, William T. A.","Bis(saccharinato-κ<i>N</i>)zinc(II) complexes with <i>N</i>,<i>N</i>'-bidentate 2-aminomethylpyridine and 2-aminoethylpyridine","Acta Crystallographica Section C","2004","60","1","m35","m38","10.1107/S0108270103027653","","","0.71073","MoKα","","0.0592","0.033","","","0.0728","0.0805","","","","","","0.942","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013831","13.1406","0.0011","14.0664","0.0012","9.7823","0.001","90","","97.415","0.019","90","","1793","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(1H-benzimidazole-κN^3^)cadmium(II)]-μ-aqua-μ- succinato-κ^2^O^1^:O^4^]","","- C18 H18 Cd N4 O5 -","- C18 H18 Cd N4 O5 -","- C72 H72 Cd4 N16 O20 -","4","0.5","OB1153","Liu, Bing-Xin; Xu, Duan-Jun","Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium(II)]-μ-aqua-μ-succinato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section C","2004","60","2","m39","m41","10.1107/S0108270103027847","","","0.71073","MoKα","","0.025","0.023","","","0.071","0.072","","","","","","1.343","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013832","7.4315","0.0018","8.474","0.002","10.991","0.003","67.889","0.004","85.22","0.004","81.617","0.004","634.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2-chlorophenyl m-nitrobenzenesulfonate","2-chlorophenyl 3-nitrobenzenesulfonate","","- C12 H8 Cl N O5 S -","- C12 H8 Cl N O5 S -","- C24 H16 Cl2 N2 O10 S2 -","2","1","OB1154","Nagarajan Vembu; Maruthai Nallu; Semih Durmus; Mathew Pazner; Jered Garrison; Wiley J. Youngs","2-Chlorophenyl 3-nitrobenzenesulfonate and 2,4-dichlorophenyl 3-nitrobenzenesulfonate: supramolecular aggregation through C‒H···O, π‒π and van der Waals interactions","Acta Crystallographica Section C","2004","60","1","o65","o68","10.1107/S0108270103027380","","","0.71073","MoKα","","0.0336","0.0312","","","0.0817","0.0833","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013833","6.878","0.005","13.33","0.01","14.99","0.011","90","","90","","90","","1374.3","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,4-Dichlorophenyl 3-nitrobenzenesulfonate","","- C12 H7 Cl2 N O5 S -","- C12 H7 Cl2 N O5 S -","- C48 H28 Cl8 N4 O20 S4 -","4","1","OB1154","Nagarajan Vembu; Maruthai Nallu; Semih Durmus; Mathew Pazner; Jered Garrison; Wiley J. Youngs","2-Chlorophenyl 3-nitrobenzenesulfonate and 2,4-dichlorophenyl 3-nitrobenzenesulfonate: supramolecular aggregation through C‒H···O, π‒π and van der Waals interactions","Acta Crystallographica Section C","2004","60","1","o65","o68","10.1107/S0108270103027380","","","0.71073","MoKα","","0.0335","0.0321","","","0.0804","0.0813","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013834","22.2498","0.0017","13.6859","0.001","22.1298","0.0016","90","","90.459","0.001","90","","6738.5","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[tris(2,2'-bipyridine-κ^2^N,N')ruthenium(II)] hexacyanoferrate(III) chloride octahydrate","","- C66 H64 Cl Fe N18 O8 Ru2 -","- C66 H48 Cl Fe N18 O8 Ru2 -","- C264 H192 Cl4 Fe4 N72 O32 Ru8 -","4","0.5","OB1155","Sakai, Ken; Uchida, Yuichi; Kajiwara, Takashi; Ito, Tasuku","Bis[tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)] hexacyanoferrate(III) chloride octahydrate","Acta Crystallographica Section C","2004","60","2","m65","m68","10.1107/S0108270103028841","","","0.71073","MoKα","","0.1008","0.0578","","","0.1244","0.133","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013835","9.087","0.001","9.44","0.001","9.982","0.0009","90.458","0.009","113.095","0.009","111.077","0.009","723.78","0.15","296.2","","","","","","","","","","","5","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^N,N')(1,1-cyclobutanedicarboxylato- κ^2^O,O')palladium(II)","","- C16 H14 N2 O4 Pd -","- C16 H14 N2 O4 Pd -","- C32 H28 N4 O8 Pd2 -","2","1","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.0215","","","","0.0572","","","","","","1.3","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013836","17.219","0.002","18.875","0.002","5.268","0.002","90","","90","","90","","1712.1","0.7","296.2","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","(1,1-cyclobutanedicarboxylato-κ^2^O,O') (1,10-phenanthroline-κ^2^N,N')palladium(II) monohydrate","","- C18 H16 N2 O5 Pd -","- C18 H16 N2 O5 Pd -","- C72 H64 N8 O20 Pd4 -","4","1","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.028","","","","0.079","","","","","","1.204","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013837","11.079","0.002","11.826","0.003","13.678","0.004","85.5","0.02","84.55","0.02","85.87","0.02","1774.7","0.8","296.2","","","","","","","","","","","5","P -1","-P 1","2","","(1,1-cyclobutanedicarboxylato-κ^2^O,O') (1,10-phenanthroline-κ^2^N,N')palladium(II) dihydrate","","- C18 H18 N2 O6 Pd -","- C18 H18 N2 O6 Pd -","- C72 H72 N8 O24 Pd4 -","4","2","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.04","","","","0.118","","","","","","0.99","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013838","8.6251","0.001","12.7842","0.0015","14.7039","0.0017","94.557","0.002","94.063","0.002","92.637","0.002","1610","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-bipyridine-κ^2^N,N')(1,10-phenanthroline-κ^2^N,N')ruthenium(II) tetracyanoplatinate(II)","","- C36 H24 N10 Pt Ru -","- C36 H22 N10 Pt Ru -","- C72 H44 N20 Pt2 Ru2 -","2","1","OB1157","Sakai, Ken; Miyabe, Yoshinobu","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) tetracyanoplatinate(II)","Acta Crystallographica Section C","2004","60","2","m69","m72","10.1107/S0108270103029500","","","0.71073","MoKα","","0.0361","0.0302","","","0.066","0.0677","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013839","8.2743","0.0003","11.3537","0.0003","23.4382","0.0008","90","","96.579","0.001","90","","2187.38","0.12","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Au F4 P S -","- C24 H16 Au F4 P S -","- C96 H64 Au4 F16 P4 S4 -","4","1","OB1163","Watase, Seiji; Kitamura, Takayuki; Kanehisa, Nobuko; Nakamoto, Masami; Kai, Yasushi; Shozo Yanagida","A quadrupole‒quadrupole stacking synthon in (2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section C","2004","60","3","m104","m106","10.1107/S010827010400157X","","","0.7107","MoKα","","","0.0366","","","","0.1032","","","","","","1.581","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013840","9.5953","0.0006","9.5953","0.0006","7.0418","0.0004","90","","90","","120","","561.48","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","lead bismuth calcium sodium phosphate","Pb~4.6~Bi~0.4~Ca~2.6~Na~2.4~(PO~4~)~6~.","","- Bi0.4 Ca2.59 Na2.39 O24 P6 Pb4.61 -","- Bi0.402 Ca2.592 Na2.388 O24 P6 Pb4.614 -","- Bi0.402 Ca2.592 Na2.388 O24 P6 Pb4.614 -","1","0.0833333","SK1662","Besma Hamdi; Jean-Michel Savariault; Hafed El Feki; Abdelhamid Ben Salah","Lead bismuth calcium sodium phosphate: Pb~4.6~Bi~0.4~Ca~2.6~Na~2.4~(PO~4~)~6~","Acta Crystallographica Section C","2004","60","1","i1","i2","10.1107/S0108270103024971","","","0.71073","MoKα","","0.0893","0.0411","","","0.0656","0.0747","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013841","5.791","0.001","7.411","0.001","10.736","0.002","90.05","0.03","105.02","0.03","112.61","0.03","408.2","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ammonium cadmium selenite selenate","tetraammonium cadmium dihydrogenselenite(IV) diselenate(VI)","","- Cd H18 N4 O14 Se4 -","- Cd H18 N4 O14 Se4 -","- Cd H18 N4 O14 Se4 -","1","0.5","SK1663","Kolitsch, Uwe","(NH~4~)~4~Cd(HSe^IV^O~3~)~2~(Se^VI^O~4~)~2~: a new structure type with kröhnkite-like chains","Acta Crystallographica Section C","2004","60","1","i3","i6","10.1107/S0108270103026040","","","0.71073","MoKα","","0.049","0.038","","","0.096","0.101","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013842","6.639","0.001","7.313","0.001","10.078","0.002","90","","92.46","0.03","90","","488.85","0.14","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Rubidium chromium(III) oxalate dihydrate","Diaquabis(μ-oxalato)chromium(III)rubidium(I)","","- C4 H4 Cr O10 Rb -","- C4 H4 Cr O10 Rb -","- C8 H8 Cr2 O20 Rb2 -","2","0.25","SK1664","Kolitsch, Uwe","RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates","Acta Crystallographica Section C","2004","60","3","m129","m133","10.1107/S0108270104001945","","","0.71073","MoKα","","0.0239","0.0217","","","0.0583","0.0602","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013843","17.045","0.003","7.368","0.001","13.588","0.003","90","","128.61","0.03","90","","1333.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Dicaesium magnesium oxalate tetrahydrate","Tetraaquabis(μ-oxalato)magnesium(II)dicaesium(I)","","- C4 H8 Cs2 Mg O12 -","- C4 H8 Cs2 Mg O12 -","- C16 H32 Cs8 Mg4 O48 -","4","0.5","SK1664","Kolitsch, Uwe","RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates","Acta Crystallographica Section C","2004","60","3","m129","m133","10.1107/S0108270104001945","","","0.71073","MoKα","","0.021","0.0182","","","0.0385","0.0395","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013844","7","0.001","8.949","0.002","8.982","0.002","108.05","0.03","97.69","0.03","97.99","0.03","520.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Dirubidium copper(II) oxalate dihydrate","Diaquabis(μ-oxalato)copper(II)dirubidium(I)","","- C4 H4 Cu O10 Rb2 -","- C4 H4 Cu O10 Rb2 -","- C8 H8 Cu2 O20 Rb4 -","2","1","SK1664","Kolitsch, Uwe","RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates","Acta Crystallographica Section C","2004","60","3","m129","m133","10.1107/S0108270104001945","","","0.71073","MoKα","","0.0303","0.0241","","","0.0565","0.059","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013845","16.002","0.0012","9.4123","0.0008","10.5752","0.0007","90","","121.664","0.005","90","","1355.69","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C56 H40 Cl8 N16 -","4","0.5","SK1670","Zachara, Janusz; Madura, Izabela; Włostowski, Marek","Hydrogen-bonding patterns in two structural isomers of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","2004","60","1","o57","o59","10.1107/S0108270103026945","","","0.71073","MoKα","","0.0449","0.0357","","","0.0923","0.0985","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013846","12.3382","0.0014","8.6777","0.0009","25.968","0.004","90","","90","","90","","2780.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-bis(2-chlorophenyl)-4-amino-1H-1,2,4-triazole","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C112 H80 Cl16 N32 -","8","1","SK1670","Zachara, Janusz; Madura, Izabela; Włostowski, Marek","Hydrogen-bonding patterns in two structural isomers of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","2004","60","1","o57","o59","10.1107/S0108270103026945","","","0.71073","MoKα","","0.0644","0.0364","","","0.0872","0.0975","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013847","7.365","0.003","15.5549","0.0012","21.199","0.004","90","","90","","90","","2428.6","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,7α,12α-triformyloxy-24-nor-5β-chol-22-ene","24-nor-5β-chol-22-ene-3β,7α,12α-triyl triformate","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","SK1674","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Tavares da Silva, E.J.; Sá e Melo, M.L.; Fernandes Roleira, F.M.","3β,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene","Acta Crystallographica Section C","2004","60","1","o82","o83","10.1107/S0108270103024521","","","1.5418","CuKα","","0.0471","0.0353","","","0.0936","0.1008","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013848","7.9449","0.001","10.7342","0.0011","10.8835","0.0012","89.0403","0.0012","69.574","0.0011","82.2042","0.0015","861.3","0.17","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H15 Cl Cr N5 O6 S2 -","- C10 H15 Cl Cr N5 O6 S2 -","- C20 H30 Cl2 Cr2 N10 O12 S4 -","2","1","SK1675","Bing-Xin Liu; Duan-Jun Xu","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromium(III) chloride monohydrate","Acta Crystallographica Section C","2004","60","3","m137","m139","10.1107/S0108270104002288","","","0.71073","MoKα","","0.032","0.029","","","0.082","0.084","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013849","7.0415","0.0002","21.4704","0.0007","8.057","0.0003","90","","108.48","0.0016","90","","1155.27","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^2^-(Benzoyloxy)benzamidine","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.0909","0.0493","","","0.11","0.1289","","","","","","0.964","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013850","9.3808","0.0001","24.9553","0.0004","10.3277","0.0001","90","","90","","90","","2417.72","0.05","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N^2^-(2-Hydroxybenzoyloxy)benzamidine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.0484","0.0391","","","0.0984","0.1048","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013851","4.6463","0.0003","22.128","0.0013","11.9551","0.0009","90","","99.202","0.003","90","","1213.33","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^2^-Benzoyloxy-2-hydroxybenzamidine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.1248","0.0556","","","0.1089","0.1331","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013852","34.3749","0.0008","34.3749","0.0008","5.7585","0.0001","90","","90","","120","","5892.8","0.2","160","2","160","2","","","","","","","","4","R 3 :H","R 3","146","","16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol","","- C30 H39 Cl O4 -","- C30 H39 Cl O4 -","- C270 H351 Cl9 O36 -","9","1","SK1678","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony","Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2004","60","1","o75","o78","10.1107/S0108270103025605","","","0.71073","MoKα","","0.066","0.049","","","0.117","0.127","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013853","6.4219","0.0001","32.4115","0.0005","8.0981","0.0001","90","","99.651","0.0007","90","","1661.71","0.04","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]- 3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","","- C37 H56 N2 O4 -","- C37 H56 N2 O4 -","- C74 H112 N4 O8 -","2","1","SK1678","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony","Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2004","60","1","o75","o78","10.1107/S0108270103025605","","","0.71073","MoKα","","0.046","0.037","","","0.086","0.092","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013854","30.0604","0.0009","13.5628","0.0004","7.0263","0.0002","90","","101.39","0.002","90","","2808.23","0.14","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Iodobenzaldehyde 2,4-dinitrophenylhydrazone","","- C13 H9 I N4 O4 -","- C13 H9 I N4 O4 -","- C104 H72 I8 N32 O32 -","8","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.0454","0.0299","","","0.0642","0.0696","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013855","32.359","0.002","4.6293","0.0003","18.4169","0.0015","90","","97.631","0.003","90","","2734.4","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Iodobenzaldehyde 2,4-dinitrophenylhydrazone","","- C13 H9 I N4 O4 -","- C13 H9 I N4 O4 -","- C104 H72 I8 N32 O32 -","8","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.133","0.0464","","","0.0689","0.0865","","","","","","0.935","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013856","4.9348","0.0004","27.825","0.002","10.3893","0.0009","90","","101.076","0.002","90","","1399.99","0.19","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Iodobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 I N3 O2 -","- C13 H10 I N3 O2 -","- C52 H40 I4 N12 O8 -","4","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.1345","0.0441","","","0.0832","0.1061","","","","","","0.878","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013857","10.328","0.0009","12.0802","0.0011","8.4369","0.0007","90","","100.673","0.008","90","","1034.41","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-chloroanthracene","","- C14 H9 Cl -","- C14 H9 Cl -","- C56 H36 Cl4 -","4","1","SK1681","Turowska-Tyrk, Ilona; Grześniak, Karolina","Monitoring structural transformations in crystals. 7. 1-Chloroanthracene and its photodimer","Acta Crystallographica Section C","2004","60","2","o146","o148","10.1107/S0108270103026775","","","0.71073","MoKα","","0.065","0.057","","","0.151","0.161","","","","","","1.069","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013858","20.232","0.002","11.0746","0.0013","9.0872","0.0011","90","","101.475","0.01","90","","1995.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1-chloroanthracene photodimer","trans-bi(1-chloro-9,10-dihydro-9,10-anthracenediyl)","","- C28 H18 Cl2 -","- C28 H18 Cl2 -","- C112 H72 Cl8 -","4","0.5","SK1681","Turowska-Tyrk, Ilona; Grześniak, Karolina","Monitoring structural transformations in crystals. 7. 1-Chloroanthracene and its photodimer","Acta Crystallographica Section C","2004","60","2","o146","o148","10.1107/S0108270103026775","","","0.71073","MoKα","","0.061","0.045","","","0.109","0.119","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013859","8.2495","0.0003","3.8591","0.0001","19.2181","0.0006","90","","93.168","0.001","90","","610.89","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium carbamoyldicyanomethanide","","- C4 H2 K N3 O -","- C4 H2 K N3 O -","- C16 H8 K4 N12 O4 -","4","1","SK1682","Schlueter, John A.; Geiser, Urs","Potassium carbamoyldicyanomethanide","Acta Crystallographica Section C","2004","60","1","m10","m12","10.1107/S0108270103026568","","","0.71073","MoKα","","0.0313","0.0267","","","0.0699","0.0722","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013860","8.076","0.001","8.084","0.001","8.808","0.001","105.34","0.02","114.53","0.02","102.51","0.02","468.28","0.18","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-1-(3-pyridyl)ethanone oxime-κ^2^N:N']bis[nitratosilver(I)]","","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","1","0.5","SK1683","Ingrid Socorro; Antonia Neels; Helen Stoeckli-Evans","Ag^I^ and Cu^I^ binuclear macrocyclic complexes with 1-(3-pyridyl)ethanone oxime","Acta Crystallographica Section C","2004","60","1","m13","m15","10.1107/S0108270103026830","","","0.71073","MoKα","","0.0212","0.0204","","","0.0521","0.0526","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013861","7.512","0.001","8.015","0.001","8.886","0.001","111.88","0.02","101.38","0.02","106.57","0.02","447.28","0.17","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[bis[μ-1-(3-pyridyl)ethanone oxime-κ^2^N:N']dicopper(I)]-di-μ-iodo]","","- C14 H16 Cu2 I2 N4 O2 -","- C14 H16 Cu2 I2 N4 O2 -","- C14 H16 Cu2 I2 N4 O2 -","1","0.5","SK1683","Ingrid Socorro; Antonia Neels; Helen Stoeckli-Evans","Ag^I^ and Cu^I^ binuclear macrocyclic complexes with 1-(3-pyridyl)ethanone oxime","Acta Crystallographica Section C","2004","60","1","m13","m15","10.1107/S0108270103026830","","","0.71073","MoKα","","0.0209","0.0195","","","0.0493","0.0499","","","","","","1.07","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2013862","11.2316","0.0004","17.7275","0.0007","7.1078","0.0002","90","","94.63","0.003","90","","1410.6","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-4-nitroaniline","","- C7 H5 N3 O2 -","- C7 H5 N3 O2 -","- C56 H40 N24 O16 -","8","2","SK1684","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: π-stacked sheets of <i>R</i>f̱{_4^4}(20) and <i>R</i>f̱{_4^4}(28) rings in 2-cyano-4-nitroaniline","Acta Crystallographica Section C","2004","60","1","o35","o37","10.1107/S0108270103027057","","","0.71073","MoKα","","0.083","0.044","","","0.109","0.126","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013863","7.2655","0.001","9.5032","0.0013","10.074","0.0015","86.665","0.012","75.553","0.013","83.068","0.01","668.36","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Br2 N2 O2 S -","- C10 H16 Br2 N2 O2 S -","- C20 H32 Br4 N4 O4 S2 -","2","1","SK1685","Blake, Alexander J.; Lippolis, Vito; Schröder, Martin","Intramolecular cyclization of 4,7-bis(2-bromoacetyl)-1-thia-4,7-diazacyclononane","Acta Crystallographica Section C","2004","60","1","o100","o102","10.1107/S010827010302732X","","","0.71073","MoKα","","0.0508","0.046","","","0.119","0.126","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013864","6.1522","0.0002","7.855","0.0003","7.9939","0.0003","83.684","0.003","89.32","0.002","88.43","0.003","383.81","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-nitrophenyl sulfoxide","","- C7 H7 N O3 S -","- C7 H7 N O3 S -","- C14 H14 N2 O6 S2 -","2","1","SK1686","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Methyl 4-nitrophenyl sulfoxide: π-stacked chains of hydrogen-bonded <i>R</i>f̱{_2^2}(10) dimers","Acta Crystallographica Section C","2004","60","1","o87","o89","10.1107/S0108270103027616","","","0.71073","MoKα","","0.034","0.03","","","0.077","0.079","","","","","","1.111","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013865","15.8657","0.0005","7.2366","0.0001","16.4224","0.0005","90","","110.304","0.001","90","","1768.36","0.08","120","2","120","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","2-Methanesulfonyl-4-nitroaniline","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C56 H64 N16 O32 S8 -","8","1","SK1687","Howie, R. Alan; Low, John N.; Wardell, James L.; Glidewell, Christopher","Hydrogen bonding in C-substituted nitroanilines: a chain of <i>R</i>f̱{_3^3}(12) rings in 2-methanesulfonyl-4-nitroaniline","Acta Crystallographica Section C","2004","60","1","o84","o86","10.1107/S0108270103027641","","","0.71073","MoKα","","0.04","0.034","","","0.083","0.086","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013866","6.1318","0.0002","17.3938","0.0005","22.321","0.0007","90","","90","","90","","2380.65","0.13","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-(4-isopropylbenzylidene)androst-4-ene-3,17-dione","","- C29 H36 O2 -","- C29 H36 O2 -","- C116 H144 O8 -","4","1","SK1688","Thamotharan, S.; Parthasarathi, V.; Dubey, S.; Jindal, D.P.; Linden, Anthony","16-(4-Isopropylbenzylidene)androst-4-ene-3,17-dione","Acta Crystallographica Section C","2004","60","2","o110","o112","10.1107/S0108270103028038","","","0.71073","MoKα","","0.0581","0.0446","","","0.1068","0.1156","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013867","14.178","0.0009","14.4118","0.0006","15.5442","0.0011","90","","101.799","0.008","90","","3109","0.3","193","1","193","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-μ-benzoato-κ^2^O,O'-bis{1-[(3,4-dimethoxyphenyl)methyl]-6,7- dimethoxyisoquinoline-κN)zinc(II)}","","- C68 H62 N2 O16 Zn2 -","- C68 H62 N2 O16 Zn2 -","- C136 H124 N4 O32 Zn4 -","2","0.5","SK1689","Zeleňák, Vladimír; Sabo, Michal; Massa, Werner; Černák, Juraj","Tetra-μ-benzoato-κ^8^<i>O</i>:<i>O</i>'-bis({1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline-κ<i>N</i>}zinc(II)): the first crystal structure with papaverine as a ligand","Acta Crystallographica Section C","2004","60","2","m85","m87","10.1107/S010827010302883X","","","0.71073","MoKα","","0.068","0.0362","","","0.0799","0.0879","","","","","","0.905","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013868","6.1855","0.0001","7.5511","0.0001","22.6406","0.0004","90","","95.9439","0.001","90","","1051.8","0.03","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-Cyano-3α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost- 5-en-3β-yl acetate","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C46 H62 N6 O6 -","2","1","SK1690","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","16-Cyano-13α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost-5-en-3β-yl acetate","Acta Crystallographica Section C","2004","60","2","o161","o162","10.1107/S0108270103028452","","","0.71073","MoKα","","0.057","0.043","","","0.098","0.108","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013869","9.702","0.005","9.75","0.005","10.106","0.006","83.24","0.05","79.72","0.04","72.92","0.04","897","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Butyl-1-(5-nitrobenzo[c][1,2]thiazol-3-yl)-3-phenyltriazene","","- C17 H17 N5 O2 S -","- C17 H17 N5 O2 S -","- C34 H34 N10 O4 S2 -","2","1","SK1691","Viktor Kettmann; Jan Lokaj; Jozef Kožíšek; Josef Přikryl; Vladimír Macháček","3-Butyl-1-(5-nitrobenzo[<i>c</i>][1,2]thiazol-3-yl)-3-phenyltriazene","Acta Crystallographica Section C","2004","60","2","o143","o145","10.1107/S0108270103029433","","","0.71073","MoKα","","0.1631","0.0667","","","0.1339","0.1634","","","","","","1.031","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013870","13.5243","0.0002","7.3983","0.0001","21.8934","0.0003","90","","102.156","0.0008","90","","2141.47","0.05","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-(p-fluorophenyl)-17a-aza-2'H-pyrazolo[4',3':16,17]-D-homoandrost-4-en-3-one","","- C26 H30 F N3 O -","- C26 H30 F N3 O -","- C104 H120 F4 N12 O4 -","4","2","SK1692","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","An aza-steroidal [17,16-<i>c</i>]pyrazole derivative: 2'-(<i>p</i>-fluorophenyl)-17a-aza-2'<i>H</i>-pyrazolo[4',3':16,17]-<i>D</i>-homoandrost-4-en-3-one","Acta Crystallographica Section C","2004","60","2","o158","o160","10.1107/S0108270103029159","","","0.71073","MoKα","","0.0562","0.0411","","","0.0908","0.0995","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013871","5.9581","0.0002","18.3064","0.0011","12.0776","0.0007","90","","93.415","0.0012","90","","1314.98","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Amino-3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazole","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C52 H64 N16 O8 -","4","1","SK1695","Low, John N.; Cobo, Justo; Abonia, Rodrigo; Quiroga, Jairo; Glidewell, Christopher","5-Amino-3-<i>tert</i>-butyl-1-(4-nitrophenyl)-1<i>H</i>-pyrazole forms hydrogen-bonded sheets of alternating <i>R</i>_<b>2</b>^<b>2</b>(20) and <i>R</i>_<b>6</b>^<b>6</b>(32) rings","Acta Crystallographica Section C","2004","60","3","o194","o195","10.1107/S0108270104000678","","","0.71073","MoKα","","0.1176","0.0515","","","0.1014","0.1239","","","","","","0.963","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013872","8.2969","0.0003","13.6898","0.0003","11.0388","0.0004","90","","96.7869","0.0018","90","","1245.03","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-2-Phenylethylammonium carboxymethylphosphonate(1-)","","- C10 H16 N O5 P -","- C10 H16 N O5 P -","- C40 H64 N4 O20 P4 -","4","1","SK1696","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>rac</i>-1-Phenylethylammonium carboxymethylphosphonate(1‒): hydrogen-bonded anion sheets with pendent cations","Acta Crystallographica Section C","2004","60","3","o183","o185","10.1107/S0108270104000939","","","0.71073","MoKα","","0.0454","0.0355","","","0.0891","0.0953","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013873","7.5524","0.0002","7.137","0.0003","28.6208","0.0011","90","","93.128","0.002","90","","1540.41","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-1-methyl-5-(2-hydroxy-4,4-dimethyl-2-oxocyclohexenylmethyl)- 2-(methylsulfanyl)pyrimidin-6(1H)-one","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","SK1697","Low, John N.; Cobo, Justo; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","4-Amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: hydrogen-bonded chains are π-stacked in pairs","Acta Crystallographica Section C","2004","60","3","o191","o193","10.1107/S0108270104001118","","","0.71073","MoKα","","0.0702","0.0422","","","0.0988","0.1091","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013874","10.685","0.0006","17.6182","0.0012","12.3774","0.0008","90","","108.523","0.004","90","","2209.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-d]pyrimidine- 4,6(3H,5H)-dione‒dimethylformamide (1/1)","","- C24 H21 Cl N4 O4 -","- C24 H21 Cl N4 O4 -","- C96 H84 Cl4 N16 O16 -","4","1","SK1698","Low, John N.; Cobo, Justo; Cisneros, Carlos; Quiroga, Jairo; Glidewell, Christopher","Racemic 5-(4-chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1) and (5<i>RS</i>,5a<i>S</i><i>R</i>,10b<i>SR</i>)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a,10b-dihydroindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1): chains of rings generated by N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","3","o186","o190","10.1107/S0108270104001489","","","0.71073","MoKα","","0.1558","0.0694","","","0.1272","0.1567","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013875","10.4172","0.0002","10.854","0.0003","11.6112","0.0003","94.2692","0.0012","116.068","0.0012","94.453","0.0013","1167.08","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(5RS,5aSR,10bSR)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a-10b- dihydroindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione‒ dimethylformamide (1/1)","","- C25 H26 N4 O6 -","- C25 H26 N4 O6 -","- C50 H52 N8 O12 -","2","1","SK1698","Low, John N.; Cobo, Justo; Cisneros, Carlos; Quiroga, Jairo; Glidewell, Christopher","Racemic 5-(4-chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1) and (5<i>RS</i>,5a<i>S</i><i>R</i>,10b<i>SR</i>)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a,10b-dihydroindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1): chains of rings generated by N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","3","o186","o190","10.1107/S0108270104001489","","","0.71073","MoKα","","0.0844","0.055","","","0.1288","0.148","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013876","18.1781","0.0004","18.1781","0.0004","18.1781","0.0004","90","","90","","90","","6006.8","0.2","100","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Tetrakis(tetramethylammonium)dodeca-μ-chloro-hexachloro-octahedro- hexatantalate chloride","","- C16 H48 Cl19 N4 Ta6 -","- C16 H48.001 Cl19 N4 Ta6 -","- C64 H192.004 Cl76 N16 Ta24 -","4","0.0208333","SQ1032","Vojnović, Marija; Jozić, Dražan; Bašic, Ivan; Rončević, Sanda; Planinić, Pavica","Tetrakis(tetramethylammonium) dodeca-μ-chloro-hexachloro-<i>octahedro</i>-hexatantalate chloride","Acta Crystallographica Section C","2004","60","1","m33","m34","10.1107/S0108270103025071","","","0.71073","MoKα","","0.0374","0.0272","","0.0622","","0.068","","","1.137","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013877","10.4244","0.0004","11.4988","0.0005","15.1602","0.0005","90","","90","","90","","1817.22","0.12","206","1","206","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2α, 4α-dibenzyl-3α-tropanol","2α,4α-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane-3α-ol","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","1","SQ1138","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol","Acta Crystallographica Section C","2004","60","1","o9","o11","10.1107/S0108270103026520","","","0.71073","MoKα","","0.0605","0.043","","","0.0893","0.0957","","","","","","1.441","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013878","17.858","0.0008","10.548","0.0009","9.2364","0.0008","90","","90","","90","","1739.8","0.2","173","1","173","1","","","","","","","","4","C m c 21","C 2c -2","36","2α,4α-dibenzyl-3β-tropanol","2α,4α-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane-3β-ol","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","0.5","SQ1138","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol","Acta Crystallographica Section C","2004","60","1","o9","o11","10.1107/S0108270103026520","","","0.71073","MoKα","","0.0726","0.0497","","","0.0785","0.085","","","","","","1.485","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013879","13.946","0.004","9.805","0.002","17.236","0.004","90","","112.523","0.003","90","","2177.1","0.9","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Benzylbis(dimethylamino)methylsilyl-κ^2^C,N](N,N,N',N'- tetramethylethylenediamine-κ^2^N,N)lithium(I)","","- C18 H37 Li N4 Si -","- C18 H37 Li N4 Si -","- C72 H148 Li4 N16 Si4 -","4","1","SQ1140","Shi, He-Ping; Liu, Dian-Sheng; Huang, Shu-Ping","[Benzylbis(dimethylamino)methylsilyl-κ^2^<i>C</i>,<i>N</i>](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>)lithium(I)","Acta Crystallographica Section C","2004","60","3","m107","m109","10.1107/S0108270104000836","","","0.71073","MoKα","","0.0853","0.06","","","0.1228","0.1336","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013880","14.984","0.005","27.435","0.009","13.574","0.004","90","","113.22","0.005","90","","5128","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis(tetrahydrofuran-κO)lithium mer-tris(carbazolyl-κN)-trans-dichloro- (tetrahydrofuran-κO)zirconate","","- C56 H64 Cl2 Li N3 O5 Zr -","- C56 H64 Cl2 Li N3 O5 Zr -","- C224 H256 Cl8 Li4 N12 O20 Zr4 -","4","0.5","SQ1141","Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.","Tetrakis(tetrahydrofuran-κ<i>O</i>)lithium <i>mer</i>-tris(carbazolyl-κ<i>N</i>)-<i>trans</i>-dichloro(tetrahydrofuran-κ<i>O</i>)zirconate","Acta Crystallographica Section C","2004","60","2","m94","m96","10.1107/S0108270104000605","","","0.71073","MoKα","","0.0464","0.0323","","","0.0792","0.0884","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013881","13.3857","0.0019","19.467","0.003","20.823","0.003","90","","90","","90","","5426","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro{2,2'-[(1S,2S)-1,2-diphenyl-1,2- ethanediylbis(nitrilomethylidyne]diphenolato-κ^4^O,N,N',O'}(ethanol- κO)manganese(III)","","- C30 H28 Cl Mn N2 O3 -","- C30 H28 Cl Mn N2 O3 -","- C240 H224 Cl8 Mn8 N16 O24 -","8","2","SQ1142","Korendovych, Ivan V.; Rybak-Akimova, Elena V.","Chloro{2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-diphenyl-1,2-ethanediylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(ethanol-κ<i>O</i>)manganese(III)","Acta Crystallographica Section C","2004","60","2","m82","m84","10.1107/S0108270104000204","","","0.71073","MoKα","","0.0371","0.0299","","","0.0721","0.0762","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013882","7.9948","0.0001","21.6336","0.0002","17.2957","0.0001","90","","93.3241","0.0003","90","","2986.37","0.05","100","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cl8 Hg4 N8 O8 S4 -","- C40 H64 Cl8 Hg4 N8 O8 S4 -","- C80 H128 Cl16 Hg8 N16 O16 S8 -","2","0.5","SQ1143","Muir, Kenneth W.; Morris, David G.; Chii, Cindy Ong Woei","Tetrameric dichloro(trimethylammonio-<i>p</i>-toluenesulfonamidate)mercury(II)","Acta Crystallographica Section C","2004","60","2","m60","m62","10.1107/S0108270103028464","","","0.71073","MoKα","","","0.026","","","","0.068","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013883","7.2794","0.0007","12.5009","0.0012","14.4436","0.0014","90","","104.021","0.002","90","","1275.2","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[bis[(2,2-bipyridine-κ^2^N,N')cobalt(II)]-μ-1,2,4,5- benzenetetracarboxylato-κ^4^O^1^:O^2^:O^3^:O^4^]","","- C15 H9 Cu N2 O4 -","- C30 H18 Cu2 N4 O8 -","- C60 H36 Cu4 N8 O16 -","2","0.5","SQ1144","Xiao, Hong-Ping; Li, Xin-Hua; Yuan, Ji-Xin; Hu, Mao-Lin","<i>catena</i>-Poly[bis[(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~4~-1,2,4,5-benzenetetracarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^]","Acta Crystallographica Section C","2004","60","2","m63","m64","10.1107/S0108270103028907","","","0.71073","MoKα","","0.0376","0.0358","","","0.0858","0.0869","","","","","","1.158","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013884","7.3531","0.0002","10.8223","0.0002","10.9197","0.0002","90","","94.469","0.002","90","","866.32","0.03","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 N2 O16 P4 Zn -","- C6 H24 N2 O16 P4 Zn -","- C12 H48 N4 O32 P8 Zn2 -","2","0.5","SQ1145","Fernández, Daniel; Polla, Griselda; Vega, Daniel; Ellena, Javier A.","The Zn^2+^ salt of pamidronate: a role for water in the metal‒cation binding properties of bisphosphonates","Acta Crystallographica Section C","2004","60","2","m73","m75","10.1107/S0108270104000216","","","1.5418","CuKα","","","0.0368","","","","0.1001","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013885","37.91","0.07","7.694","0.007","8.705","0.009","90.03","0.01","90.086","0.007","90.146","0.002","2539","6","20","2","20","2","","","","","","","","6","P 1","P 1","1","barium nitroprusside trihydrate","barium pentacyanonitrosylferrate trihydrate","","- C5 H6 Ba Fe N6 O4 -","- C5 H6 Ba Fe N6 O4 -","- C40 H48 Ba8 Fe8 N48 O32 -","8","8","SQ1146","Chevrier, G.; Kiat, J. M.; Güida, J. A.; Navaza, A.","A new crystal phase of barium nitroprusside trihydrate studied by neutron diffraction at 20K","Acta Crystallographica Section C","2004","60","3","i27","i29","10.1107/S0108270104000599","","neutron","1.548","neutron","","0.0797","0.0681","","0.0732","","0.0722","","","3.236","","","3.441","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013886","9.9331","0.0017","18.258","0.003","15.958","0.003","90","","104.168","0.003","90","","2806.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","triethylammonium tetraphenylborate dichloromethane solvate","","","- C31 H38 B Cl2 N -","- C31 H38 B Cl2 N -","- C124 H152 B4 Cl8 N4 -","4","1","SQ1147","Janzen, Daron E.; Mann, Kent R.","Triethylammonium tetraphenylborate dichloromethane solvate","Acta Crystallographica Section C","2004","60","3","o198","o199","10.1107/S0108270104000356","","","0.71069","MoKα","","0.0932","0.0688","","","0.1294","0.1396","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","192307","2020-10-21","18:00:00",""
"2013887","14.667","0.0003","34.0857","0.0008","6.3334","0.0001","90","","90","","90","","3166.29","0.11","293","2","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C112 H184 N8 O32 -","8","2","SX1124","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","<i>tert</i>-Butyl (6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxo-1,2,5,6-tetrahydropyridine-1-carboxylate and <i>tert</i>-butyl (4<i>R</i>,6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxopiperidine-1-carboxylate","Acta Crystallographica Section C","2004","60","3","o200","o203","10.1107/S0108270103024053","","","0.71073","MoKα","","","0.0473","","","","0.1347","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013888","5.563","0.002","9.891","0.003","14.8","0.003","90","","95.02","0.02","90","","811.2","0.4","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C28 H50 N2 O8 -","2","1","SX1124","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","<i>tert</i>-Butyl (6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxo-1,2,5,6-tetrahydropyridine-1-carboxylate and <i>tert</i>-butyl (4<i>R</i>,6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxopiperidine-1-carboxylate","Acta Crystallographica Section C","2004","60","3","o200","o203","10.1107/S0108270103024053","","","1.5418","CuKα","","","0.048","","","","0.1545","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013889","5.076","0.0002","10.076","0.0004","10.121","0.0005","95.691","0.001","102.529","0.001","103.73","0.002","484.65","0.04","293","2","","","","","","","","","","4","P 1","P 1","1","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","2","SX1125","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","(6<i>S</i>)-6-Isobutylpiperidine-2,4-dione and (4<i>R</i>,6<i>S</i>)/(4<i>S</i>,6<i>S</i>)-4-hydroxy-6-isobutylpiperidin-2-one","Acta Crystallographica Section C","2004","60","3","o204","o207","10.1107/S0108270103024065","","","0.71073","MoKα","","","0.043","","","","0.1178","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013890","12.9121","0.0006","5.3871","0.0003","14.8945","0.0007","90","","109.692","0.002","90","","975.45","0.09","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","2","SX1125","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","(6<i>S</i>)-6-Isobutylpiperidine-2,4-dione and (4<i>R</i>,6<i>S</i>)/(4<i>S</i>,6<i>S</i>)-4-hydroxy-6-isobutylpiperidin-2-one","Acta Crystallographica Section C","2004","60","3","o204","o207","10.1107/S0108270103024065","","","0.71073","MoKα","","","0.0425","","","","0.1139","","","","","","1.012","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013891","5.8912","0.0011","10.0825","0.0012","11.0998","0.0017","90","","102.821","0.015","90","","642.87","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-nitro-1-(β-D-ribofuranosyl)-1H-indazole","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C24 H26 N6 O12 -","2","1","SX1127","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","Regioisomeric 4-nitroindazole <i>N</i>^1^- and <i>N</i>^2^-(β-<small>D</small>-ribonucleosides)","Acta Crystallographica Section C","2004","60","1","o94","o97","10.1107/S0108270103026556","","","0.71073","MoKα","","0.061","0.047","","","0.116","0.126","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013892","4.9355","0.0013","35.936","0.005","7.1833","0.0009","90","","99.311","0.018","90","","1257.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-nitro-2-(β-D-ribofuranosyl)-2H-indazole","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C48 H52 N12 O24 -","4","2","SX1127","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","Regioisomeric 4-nitroindazole <i>N</i>^1^- and <i>N</i>^2^-(β-<small>D</small>-ribonucleosides)","Acta Crystallographica Section C","2004","60","1","o94","o97","10.1107/S0108270103026556","","","0.71073","MoKα","","0.095","0.061","","","0.146","0.17","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013893","8.3022","0.0014","10.0591","0.0017","12.393","0.002","66.73","0.002","72.047","0.002","68.828","0.002","869.9","0.3","183","2","183","2","","","","","","","","6","P 1","P 1","1","","Chloro(L-glutamato-κ^2^N,O)(1,10-phenanthroline-κ^2^N,N')copper(II) monohydrate","","- C17 H18 Cl Cu N3 O5 -","- C17 H18 Cl Cu N3 O5 -","- C34 H36 Cl2 Cu2 N6 O10 -","2","2","SX1128","Lu, Li-Ping; Zhu, Miao-Li; Yang, Pin","Chloro(<small>L</small>-glutamato-κ^2^<i>N</i>,<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","Acta Crystallographica Section C","2004","60","1","m21","m23","10.1107/S0108270103026453","","","0.71073","MoKα","","0.048","0.046","","","0.119","0.121","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013894","9.2937","0.001","23.058","0.003","13.536","0.0016","90","","102.436","0.002","90","","2832.6","0.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","octa-tert-butoxy-bis[μ~3~-2,2'-(N-methylimino)diethanolato]di-μ-oxo- tetratitanium(IV)","","- C42 H94 N2 O14 Ti4 -","- C42 H94 N2 O14 Ti4 -","- C84 H188 N4 O28 Ti8 -","2","0.5","TA1427","Kemmitt, Tim; Gainsford, Graeme J.; Al-Salim, Najeh I.","An oxo-bridged centrosymmetric tetranuclear titanium compound","Acta Crystallographica Section C","2004","60","2","m42","m43","10.1107/S0108270103027902","","","0.71073","MoKα","","0.091","0.043","","","0.083","0.098","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013895","7.5859","0.0008","8.9838","0.001","10.6729","0.0011","80.441","0.002","72.913","0.002","77.096","0.002","673.75","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis[aqua(2,2-bipyridine-κ^2^N,N')cobalt(II)]-μ-1,2,4,5- benzenetetracarboxylato-κ^4^O^1^:O^2^:O^3^:O^4^]","","- C30 H22 Co2 N4 O10 -","- C30 H22 Co2 N4 O10 -","- C30 H22 Co2 N4 O10 -","1","0.5","TA1428","Xiao, Hong-Ping; Hu, Mao-Lin; Shi, Qian; Li, Xin-Hua","<i>catena</i>-Poly[bis[aqua(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-1,2,4,5-benzenetetracarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^]","Acta Crystallographica Section C","2004","60","1","m16","m17","10.1107/S0108270103027070","","","0.71073","MoKα","","0.029","0.027","","","0.071","0.071","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013896","10.758","0.006","8.951","0.005","8.425","0.005","111.24","0.04","100.94","0.04","105.74","0.04","689.3","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 Br N4 -","- C14 H13 Br N4 -","- C28 H26 Br2 N8 -","2","1","TA1429","Canty, Allan J.; Honeyman, R.Thomas; Skelton, Brian W.; White, Allan H.","1-Bromo-2,6-bis[(pyrazol-1-yl)methyl]benzene","Acta Crystallographica Section C","2004","60","1","o98","o99","10.1107/S0108270103027525","","","0.71069","MoKα","","0.077","0.04","","0.155","","0.155","","","1.098","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013897","12.9439","0.0006","14.0499","0.0006","20.7267","0.0009","100.37","0.001","99.429","0.001","95.899","0.001","3623.6","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Bis[tetrakis(triphenylphosphine-κP)silver(I)] di-μ-trifluoroacetato-[dimethylbis(trifluoroacetato-κ^2^O:O')stannate(IV)]","","- C160 H132 Ag2 F18 O12 P8 Sn2 -","- C160 H132 Ag2 F18 O12 P8 Sn2 -","- C160 H132 Ag2 F18 O12 P8 Sn2 -","1","0.5","TA1433","Yang, Shi-Yao; Xie, Zhao-Xiong; Ng, Seik Weng","Bis[tetrakis(triphenylphosphine-κ<i>P</i>)silver(I)] di-μ-trifluoroacetato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(trifluoroacetato-κ<i>O</i>)stannate(IV)]","Acta Crystallographica Section C","2004","60","3","m123","m125","10.1107/S0108270104001556","","","0.71073","MoKα","","0.064","0.048","","","0.108","0.113","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013898","7.135","0.0002","11.8614","0.0001","17.0675","0.0003","96.48","0.001","94.971","0.001","95.229","0.001","1422.36","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Diaquatetrakis(pyridine-2,6-dicarboxylato-κ^2^O^2^,O^6^)tetrakis(μ-pyridine- 3,5-dicarboxylic acid-κ^2^N:O)tetracopper(II)","","","- C56 H36 Cu4 N8 O34 -","- C56 H36 Cu4 N8 O34 -","- C56 H36 Cu4 N8 O34 -","1","0.5","TR1072","Chaigneau, Julienne; Marrot, Jerome; Riou, Didier","Diaquatetrakis(pyridine-2,6-dicarboxylato-κ^2^<i>O</i>^2^,<i>O</i>^6^)tetrakis(μ-pyridine-3,5-dicarboxylic acid-κ^2^<i>N</i>:<i>O</i>)tetracopper(II): a copper complex with tetrameric molecular units","Acta Crystallographica Section C","2004","60","3","m101","m103","10.1107/S0108270104001027","","","0.71073","MoKα","","0.097","0.0492","","","0.1256","0.1383","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013899","11.505","0.002","10.54","0.002","13.471","0.003","90","","112.66","0.03","90","","1507.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diethyl (Z,Z)-3,3'-(1,2-ethanediyldinitrilo)dibut-2-enoate","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","0.5","TY1002","Zhang, Zhenfeng; Jin, Shuo; Shang, Zhuobin; Huang, Shuping; Liu, Bo; Guo, Jianping","Diethyl (<i>Z</i>,<i>Z</i>)-3,3'-(ethane-1,2-diyldiimino)dibut-2-enoate","Acta Crystallographica Section C","2004","60","3","o176","o177","10.1107/S0108270104000241","","","0.71073","MoKα","","0.0847","0.0757","","","0.1973","0.2062","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013900","8.5969","0.0004","5.6053","0.0002","15.5397","0.0007","90","","96.172","0.002","90","","744.49","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl-p-aminobenzoate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","TY1003","Doriguetto, Antonio C.; de Paula Silva, Carlos H. T.; Rando, Daniela G.; Ferreira, Elizabeth I.; Ellena, Javier","A new monoclinic polymorph of methyl <i>p</i>-aminobenzoate","Acta Crystallographica Section C","2004","60","1","o69","o71","10.1107/S0108270103027422","","","0.71073","MoKα","","","0.04","","","","0.104","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013901","8.1788","0.0006","6.1512","0.0004","34.09","0.003","90","","103.067","0.007","90","","1670.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3H)-one","","- C19 H20 F N3 O2 -","- C19 H20 F N3 O2 -","- C76 H80 F4 N12 O8 -","4","1","AV1163","Yavuz Köysal; Şamil Işık; Meriç Köksal; Hakkı Erdog̃an; Nesrin Gokhan","3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one and 3-[4-(2-fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2004","60","4","o232","o234","10.1107/S0108270104003269","","","0.71073","MoKα","","0.0954","0.0796","","","0.2331","0.2504","","","","","","1.067","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013902","15.7467","0.001","9.547","0.0004","11.4779","0.0006","90","","91.422","0.005","90","","1724.98","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[4-(2-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3H)-one","","- C19 H20 F N3 O2 -","- C19 H20 F N3 O2 -","- C76 H80 F4 N12 O8 -","4","1","AV1163","Yavuz Köysal; Şamil Işık; Meriç Köksal; Hakkı Erdog̃an; Nesrin Gokhan","3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one and 3-[4-(2-fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2004","60","4","o232","o234","10.1107/S0108270104003269","","","0.71073","MoKα","","0.0488","0.041","","","0.1179","0.1235","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013903","24.059","0.003","54.213","0.005","6.5223","0.0005","90","","90","","90","","8507.1","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2-[1-[(3-fluoro-4-phenyl]ethyl]-6-(2-fluorobenzylidene)thiazolo[3,2-b]- 1,2,4-triazol-5(6H)-one","","- C25 H17 F2 N3 O S -","- C25 H17 F2 N3 O S -","- C400 H272 F32 N48 O16 S16 -","16","1","AV1166","Köysal, Yavuz; Işık, Şamil; Dog̃daş, Emine; Tozkoparan, Birsen; Ertan, Mevlüt","6-(2-Fluorobenzylidene)-2-[1-(2-fluoro-4-biphenyl)ethyl]thiazolo[3,2-<i>b</i>][1,2,4]triazol-5(6<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o356","o357","10.1107/S010827010400410X","","","0.71073","MoKα","","0.1134","0.0369","","","0.0603","0.0689","","","","","","0.666","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013904","9.544","0.0019","15.711","0.003","15.888","0.003","90","","90","","90","","2382.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","vindoline","Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-5-hydroxy-8- methoxy-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1- cd]carbazole-5-carboxylate","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C100 H128 N8 O24 -","4","1","AV1168","Ruszkowska, Joanna; Chrobak, Robert; Maurin, Jan K.; Czarnocki, Zbigniew","Vindoline and 16-demethoxyvindoline: two catharanthus-derived alkaloids","Acta Crystallographica Section C","2004","60","5","o377","o380","10.1107/S0108270104004342","","","0.71073","MoKα","","0.1173","0.0408","","","0.1178","0.1453","","","","","","1.034","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013905","8.08","0.0016","11.32","0.002","24.212","0.005","90","","90","","90","","2214.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","16-demethoxyvindoline","Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-5-hydroxy-6-methyl- 3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","AV1168","Ruszkowska, Joanna; Chrobak, Robert; Maurin, Jan K.; Czarnocki, Zbigniew","Vindoline and 16-demethoxyvindoline: two catharanthus-derived alkaloids","Acta Crystallographica Section C","2004","60","5","o377","o380","10.1107/S0108270104004342","","","0.71073","MoKα","","0.0921","0.0382","","","0.1109","0.1345","","","","","","1.025","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013906","7.7537","0.0013","10.436","0.003","15.937","0.003","90","","96.142","0.013","90","","1282.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Phenyl-5-(piperidinomethyl)-1H-tetrazole","","- C13 H17 N5 -","- C13 H17 N5 -","- C52 H68 N20 -","4","1","AV1171","Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.","1-Phenyl-5-(piperidinomethyl)-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","4","o293","o294","10.1107/S0108270104005554","","","0.71073","MoKα","","0.0573","0.0421","","","0.1082","0.1198","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013907","9.878","0.002","11.813","0.002","14.837","0.003","90","","104.69","0.03","90","","1674.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Dinitrito(1,4,8,11-tetraazacyclotetradecane-κ^4^N)chromium(III) nitrite","","- C10 H24 Cr N7 O6 -","- C10 H24 Cr N7 O6 -","- C40 H96 Cr4 N28 O24 -","4","0.5","AV1172","Jong-Ha Choi; In-Gyung Oh; Woo-Taik Lim; Ki-Min Park","<i>cis</i>-Dinitrito(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III) nitrite","Acta Crystallographica Section C","2004","60","6","m238","m240","10.1107/S0108270104007656","","","0.71069","MoKα","","0.0429","0.0376","","","0.0989","0.1029","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013908","12.3427","0.0003","10.4806","0.0003","15.7966","0.0004","90","","101.947","0.001","90","","1999.17","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua-2,3-pyrazinedicarboxylate-nitrate-(1,10-phenanthroline)europium(III) monohydrate","","- C18 H14 Eu N5 O9 -","- C18 H14 Eu N5 O9 -","- C72 H56 Eu4 N20 O36 -","4","1","AV1173","Hu, Mao-Lin; Yuan, Ji-Xin; Chen, Fan; Shi, Qian","Polymeric aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2,3-pyrazinedicarboxylato-κ^2^<i>N</i>,<i>O</i>)europium(III) monohydrate","Acta Crystallographica Section C","2004","60","4","m186","m188","10.1107/S0108270104005773","","","0.71073","MoKα","","0.0501","0.0378","","","0.0903","0.0945","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013909","5.3131","0.0006","17.727","0.002","23.382","0.003","90","","90","","90","","2202.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","poly[[(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ~3~-N-tosyl-L-glutamato- κ^4^O,O':O'':O''']","","- C22 H21 Mn N3 O6 S -","- C22 H21 Mn N3 O6 S -","- C88 H84 Mn4 N12 O24 S4 -","4","1","AV1175","Fu-Pei Liang; Man-Sheng Chen; Rui-Xiang Hu; Zi-Lu Chen","A one-dimensional double-chain coordination polymer: [Mn(C~12~H~13~NO~6~S)(C~10~H~8~N~2~)]~<i>n~</i>","Acta Crystallographica Section C","2004","60","6","m269","m271","10.1107/S0108270104008893","","","0.71073","MoKα","","0.0288","0.025","","","0.0649","0.0671","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013910","14.254","0.003","15.173","0.003","15.852","0.003","72.882","0.003","67.976","0.002","75.191","0.003","2996.3","1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","tetrachloro[μ-1,1,4,7,7-pentakis(1H-benzimidazol-2-ylmethyl)-1,4,7- triazaheptane]dimanganese(II) methanol pentasolvate tetrahydrate","","- C49 H71 Cl4 Mn2 N13 O9 -","- C49 H71 Cl4 Mn2 N13 O9 -","- C98 H142 Cl8 Mn4 N26 O18 -","2","1","AV1176","Yan, Xu-Xiu; Lu, Li-Ping; Zhu, Miao-Li","A novel bridged asymmetric binuclear manganese(II) complex with DTPB [DTPB is 1,1,4,7,7-pentakis(1<i>H</i>-benzimidazol-2-ylmethyl)-1,4,7-triazaheptane]","Acta Crystallographica Section C","2004","60","5","m221","m223","10.1107/S0108270104007668","","","0.71073","MoKα","","0.1134","0.075","","","0.1811","0.1986","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013911","10.2545","0.0007","10.8207","0.0008","13.7264","0.001","91.305","0.001","90.461","0.002","112.655","0.002","1404.97","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquatris(μ~6~-benzene-1,2,4,5-tetracarboxylato)tris(μ~2~-4,4'- bipyridine)hexacopper(II)] dihydrate]","","- C60 H38 Cu6 N6 O28 -","- C60 H38 Cu6 N6 O28 -","- C60 H38 Cu6 N6 O28 -","1","0.5","AV1177","Yang, E.; Zhang, Jian; Wen, Yi-Hang; Chen, Yu-Biao; Kang, Yao; Li, Zhao-Ji; Yao, Yuan-Gen","Poly[[diaquatris(μ~6~-benzene-1,2,4,5-tetracarboxylato)tris(μ~2~-4,4'-bipyridine)hexacopper(II)] dihydrate]","Acta Crystallographica Section C","2004","60","6","m280","m282","10.1107/S0108270104008273","","","0.71073","MoKα","","","0.0544","","","0.1344","0.162","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013912","14.447","0.002","11.0153","0.0016","17.803","0.003","90","","90.602","0.003","90","","2833","0.7","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N,N'-Bis(3-methylphenyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine","","- C38 H32 N2 -","- C38 H32 N2 -","- C152 H128 N8 -","4","2","AV1182","Zhang, Zhibin; Burkholder, Eric; Zubieta, Jon","Non-merohedrally twinned crystals of <i>N</i>,<i>N</i>'-bis(3-methylphenyl)-<i>N</i>,<i>N</i>'-diphenyl-1,1'-biphenyl-4,4'-diamine: an excellent triphenylamine-based hole transporter","Acta Crystallographica Section C","2004","60","6","o452","o454","10.1107/S0108270104010479","","","0.71073","MoKα","","0.1393","0.0629","","","0.1123","0.1303","","","","","","0.898","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013913","11.707","0.0011","17.8824","0.0016","8.8647","0.0008","90","","99.713","0.002","90","","1829.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[aquamanganese(II)]-μ~2~-4,4'-bipyridine-μ~3~-succinato] 4,4'-bipyridine hemisolvate]","","- C19 H18 Mn N3 O5 -","- C19 H18 Mn N3 O5 -","- C76 H72 Mn4 N12 O20 -","4","1","AV1183","Ma, Chengbing; Chen, Feng; Zhang, Chunxia; Hu, Mingqiang; Chen,Changneng; Liu, Qiutian","Poly[[[aquamanganese(II)]-μ~2~-4,4'-bipyridine-μ~3~-succinato] 4,4'-bipyridine hemisolvate]","Acta Crystallographica Section C","2004","60","6","m285","m287","10.1107/S0108270104009953","","","0.71073","MoKα","","","0.0542","","","0.117","0.1383","","","","","","1.088","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013914","13.7558","0.0002","9.7484","0.0001","7.1074","0.0001","90","","90","","90","","953.08","0.02","168","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium aquapentachlorochromate(III)","","- Cl5 Cr H2 O Rb2 -","- Cl5 Cr H2 O Rb2 -","- Cl20 Cr4 H8 O4 Rb8 -","4","0.5","BC1030","Annika K. Eriksson; Barbara M. Casari; Langer, Vratislav","Dirubidium aquapentachlorochromate(III) and dicaesium aquapentachlorochromate(III)","Acta Crystallographica Section C","2004","60","4","i40","i42","10.1107/S0108270104002987","","","0.71073","MoKα","","0.055","0.0377","","","0.0971","0.1096","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013915","7.3868","0.0003","17.1107","0.0007","7.9848","0.0004","90","","90","","90","","1009.23","0.08","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","Cesium aquapentachlorochromate(III)","","- Cl5 Cr Cs2 H2 O -","- Cl5 Cr Cs2 O -","- Cl20 Cr4 Cs8 O4 -","4","0.25","BC1030","Annika K. Eriksson; Barbara M. Casari; Langer, Vratislav","Dirubidium aquapentachlorochromate(III) and dicaesium aquapentachlorochromate(III)","Acta Crystallographica Section C","2004","60","4","i40","i42","10.1107/S0108270104002987","","","0.71073","MoKα","","0.0749","0.0498","","","0.1355","0.1508","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013916","5.37119","0.00008","5.37119","","11.58104","0.00018","90","","90","","90","","334.109","0.007","1073","","1073","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","cerium niobate","cerium niobium tetraoxide","Fergusonite-(Ce)","- Ce Nb O4 -","- Ce Nb O4 -","- Ce4 Nb4 O16 -","4","0.25","BC1031","Skinner, Stephen J.; Brooks, Ian J. E.; Munnings, Christopher N.","Tetragonal CeNbO~4~ at 1073K in air and <i>in vacuo</i>","Acta Crystallographica Section C","2004","60","4","i37","i39","10.1107/S0108270104003300","","neutron","","neutron","","","","","","","","","","1.81","","","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2013917","5.37692","0.00008","5.37692","0.00008","11.59514","0.00018","90","","90","","90","","335.23","0.009","1073","","1073","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","cerium niobate","cerium niobium tetraoxide","Fergusonite-(Ce)","- Ce Nb O4 -","- Ce Nb O3.972 -","- Ce4 Nb4 O15.888 -","4","0.25","BC1031","Skinner, Stephen J.; Brooks, Ian J. E.; Munnings, Christopher N.","Tetragonal CeNbO~4~ at 1073K in air and <i>in vacuo</i>","Acta Crystallographica Section C","2004","60","4","i37","i39","10.1107/S0108270104003300","","neutron","","neutron","","","","","","","","","","1.83","","","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2013918","5.4208","0.0014","9.3881","0.0017","10.33","0.003","90","","100.06","0.02","90","","517.6","0.2","270","1","270","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","trioctahedral mica","potassium triiron(II) aluminasilaferrate(III) decaoxide dihydroxide","","- Al0.24 Fe3.76 H2 K O12 Si3 -","- Al0.244 Fe3.756 H2 K O12 Si3 -","- Al0.488 Fe7.512 H4 K2 O24 Si6 -","2","0.25","BC1034","Redhammer, Günther J.; Roth, G.","The ferri-annite KFe^2+^~3~(Al~0.26~Fe^3+^~0.76~Si~3~)O~10~(OH)~2~ at 100 and 270 K","Acta Crystallographica, Section C","2004","60","","i33","i36","10.1107/S010827010400321X","","","0.71073","MoKα","","","0.0195","","","","0.0486","","","","","","1.096","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013919","5.4106","0.0013","9.3709","0.0016","10.293","0.003","90","","100.03","0.02","90","","513.9","0.2","100","1","100","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","trioctahedral mica","potassium triiron(II) aluminasilaferrate(III) decaoxide dihydroxide","","- Al0.24 Fe3.76 H2 K O12 Si3 -","- Al0.236 Fe3.764 H2 K O12 Si3 -","- Al0.472 Fe7.528 H4 K2 O24 Si6 -","2","0.25","BC1034","Redhammer, Günther J.; Roth, G.","The ferri-annite KFe^2+^~3~(Al~0.26~Fe^3+^~0.76~Si~3~)O~10~(OH)~2~ at 100 and 270 K","Acta Crystallographica, Section C","2004","60","","i33","i36","10.1107/S010827010400321X","","","0.71073","MoKα","","","0.0191","","","","0.0523","","","","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013920","7.3131","0.001","7.2952","0.0008","7.1814","0.001","90","","116.205","0.01","90","","343.75","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Potassium hypophosphite","Potassium hypophosphite","","- H2 K O2 P -","- H2 K O2 P -","- H8 K4 O8 P4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0328","0.0309","","","0.0774","0.0788","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013921","7.9835","0.0009","6.3678","0.0007","7.5755","0.0011","90","","90","","90","","385.12","0.08","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Rubidium hypophosphite","Rubidium hypophosphite","","- H2 O2 P Rb -","- H2 O2 P Rb -","- H8 O8 P4 Rb4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0404","0.0232","","","0.0522","0.0567","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013922","8.3776","0.0009","6.6271","0.0006","7.9165","0.001","90","","90","","90","","439.52","0.08","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Caesium hypophosphite","Caesium hypophosphite","","- Cs H2 O2 P -","- Cs H2 O2 P -","- Cs4 H8 O8 P4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0504","0.0367","","","0.1018","0.1143","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013923","23.8384","0.0006","11.0248","0.0002","16.9332","0.0004","90","","118.005","0.001","90","","3929.18","0.16","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium magnesium decavanadate hydrate","dimagnesium disodium decavanadate icosahydrate","","- H40 Mg2 Na2 O48 V10 -","- H40 Mg2 Na2 O48 V10 -","- H160 Mg8 Na8 O192 V40 -","4","0.5","BC1038","Iida, Akifumi; Ozeki, Tomoji","Mg~2~Na~2~V~10~O~28~·20H~2~O and Mg~3~V~10~O~28~·28H~2~O","Acta Crystallographica Section C","2004","60","4","i43","i46","10.1107/S0108270104004676","","","0.71073","MoKα","","0.0397","0.0294","","","0.0721","0.0749","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013924","10.4834","0.0001","10.7309","0.0002","21.2293","0.0004","90.751","0.001","97.866","0.001","103.663","0.001","2296.24","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","magnesium decavanadate hydrate","","","- H56 Mg3 O56 V10 -","- H54.684 Mg3 O56 V10 -","- H109.368 Mg6 O112 V20 -","2","1","","Iida, Akifumi; Ozeki, Tomoji","Mg~2~Na~2~V~10~O~28~.20H~2~O and Mg~3~V~10~O~28~.28H~2~O","Acta Crystallographica, Section C","2004","60","","i43","i46","10.1107/S0108270104004676","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277836","2022-09-14","17:02:02",""
"2013925","3.853","0.0004","3.853","0.0004","3.853","0.0004","90","","90","","90","","57.2","0.01","296","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","strontium cobaltate","strontium cobalt(III, IV) oxide","","- Co O2.64 Sr -","- Co O2.64 Sr -","- Co O2.64 Sr -","1","0.0208333","BC1039","Nakatsuka, Akihiko; Yoshiasa, Akira; Nakayama, Noriaki; Mizota, Tadato; Takei, Humihiko","Oxygen-deficient strontium cobaltate, SrCoO~2.64~","Acta Crystallographica Section C","2004","60","5","i59","i60","10.1107/S0108270104006134","","","0.71069","MoKα","","0.025","0.021","","0.011","","0.011","","","","","","1.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013926","12.7854","0.0008","4.6647","0.0003","13.3343","0.0009","90","","91.738","0.001","90","","794.89","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ethylenediammonium catena-arsenite","","- C2 H10 As2 N2 O4 -","- C2 H10 As2 N2 O4 -","- C8 H40 As8 N8 O16 -","4","0.5","BC1044","Lee, Clare; Harrison, William T. A.","The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)","Acta Crystallographica Section C","2004","60","5","m215","m218","10.1107/S0108270104007450","","","0.71073","MoKα","","0.046","0.0394","","","0.1101","0.1149","","","","","","1.054","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2013927","6.7762","0.0005","5.0901","0.0004","14.3098","0.0011","90","","90","","90","","493.57","0.07","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","sodium catena-arsenite","","- As Na O2 -","- As Na O2 -","- As8 Na8 O16 -","8","1","BC1044","Lee, Clare; Harrison, William T. A.","The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)","Acta Crystallographica Section C","2004","60","5","m215","m218","10.1107/S0108270104007450","","","0.71073","MoKα","","0.0607","0.0396","","","0.1007","0.1085","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013928","7.891","0.002","8.798","0.003","18.829","0.006","90","","94.597","0.005","90","","1303","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","p-Nitrophenyl 3-nitrobenzenesulfonate","4-Nitrophenyl 3-nitrobenzenesulfonate","","- C12 H8 N2 O7 S -","- C12 H8 N2 O7 S -","- C48 H32 N8 O28 S4 -","4","1","BM1553","Vembu, Nagarajan; Nallu, Maruthai; Durmus, Semih; Panzner, Matthew; Garrison, Jered; Youngs, Wiley J.","Layer architecture in 4-nitrophenyl and 4-chlorophenyl 3-nitrobenzenesulfonate at 100K","Acta Crystallographica Section C","2004","60","4","o248","o251","10.1107/S0108270104002471","","","0.71073","MoKα","","0.0735","0.0613","","","0.1338","0.139","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013929","7.556","0.009","8.562","0.008","10.851","0.013","67.86","0.06","89.93","0.11","87.01","0.08","649.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","4-Chlorophenyl m-nitrobenzenesulfonate","4-Chlorophenyl 3-nitrobenzenesulfonate","","- C12 H8 Cl N O5 S -","- C12 H8 Cl N O5 S -","- C24 H16 Cl2 N2 O10 S2 -","2","1","BM1553","Vembu, Nagarajan; Nallu, Maruthai; Durmus, Semih; Panzner, Matthew; Garrison, Jered; Youngs, Wiley J.","Layer architecture in 4-nitrophenyl and 4-chlorophenyl 3-nitrobenzenesulfonate at 100K","Acta Crystallographica Section C","2004","60","4","o248","o251","10.1107/S0108270104002471","","","0.71073","MoKα","","0.0837","0.0651","","","0.1662","0.1825","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013930","10.7567","0.0019","9.8","0.009","12.926","0.004","90","","96.63","0.02","90","","1353.5","1.3","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2,6-di-O-benzyl-3,4-O-phenylphosphinediyl-β-D-galactopyranoside (P—B)borane","","- C27 H32 B O6 P -","- C27 H32 B O6 P -","- C54 H64 B2 O12 P2 -","2","1","BM1560","Johansson, Magnus J.; Bergh, Anders; Larsson, Krister","Methyl 2,6-di-<i>O</i>-benzyl-3,4-<i>O</i>-phenylphosphinediyl-β-<small>D</small>-galactopyranoside(<i>P</i>—<i>B</i>)borane with chirality on the P atom","Acta Crystallographica Section C","2004","60","5","o312","o314","10.1107/S0108270104004287","","","0.71073","MoKα","","","0.0482","","","","0.1435","","","","","","1.043","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2013931","9.4086","0.0001","22.5317","0.0004","12.7279","0.0002","90","","101.986","0.0006","90","","2639.39","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Tris-(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(II) diperchlorate hydrate","","- C18 H26 Cl2 Fe N10 O9 -","- C18 H26 Cl2 Fe N10 O9 -","- C72 H104 Cl8 Fe4 N40 O36 -","4","1","BM1561","Michaele J. Hardie; Colin A. Kilner; Malcolm A. Halcrow","{Tris[4-(1<i>H</i>-pyrazol-3-yl)-3-azabut-3-enyl]amine}iron(II) diperchlorate monohydrate","Acta Crystallographica Section C","2004","60","4","m177","m179","10.1107/S010827010400407X","","","0.71073","MoKα","","0.0532","0.0372","","","0.0922","0.0993","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013932","15.433","0.004","11.437","0.003","17.048","0.005","90","","115.427","0.003","90","","2717.6","1.3","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-endo-threo-norbormide","5-[hydroxy(phenyl)(2-pyridyl)methyl]-8-[phenyl(2-pyridyl)methylene]- 3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione","","- C33 H25 N3 O3 -","- C33 H25 N3 O3 -","- C132 H100 N12 O12 -","4","1","BM1563","Steel, Peter J.; Brimble, Margaret A.; Hopkins, Brian; Rennison, David","Two stereoisomers of the rat toxicant norbormide","Acta Crystallographica Section C","2004","60","5","o374","o376","10.1107/S0108270104006845","","","0.71073","MoKα","","0.0841","0.0411","","","0.083","0.102","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013933","17.999","0.003","12.614","0.002","13.063","0.002","90","","110.834","0.002","90","","2771.9","0.8","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","trans-endo-threo-norbormide ethyl acetate hemi-solvate","5-[hydroxy(phenyl)(2-pyridyl)methyl]-8-[phenyl(2-pyridyl)methylene]- 3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione ethyl acetate hemisolvate","","- C35 H29 N3 O4 -","- C35 H29 N3 O4 -","- C140 H116 N12 O16 -","4","1","BM1563","Steel, Peter J.; Brimble, Margaret A.; Hopkins, Brian; Rennison, David","Two stereoisomers of the rat toxicant norbormide","Acta Crystallographica Section C","2004","60","5","o374","o376","10.1107/S0108270104006845","","","0.71073","MoKα","","0.1853","0.0616","","","0.1012","0.125","","","","","","0.885","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013934","8.859","0.001","12.83","0.002","12.615","0.001","90","","102.971","0.002","90","","1397.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","BM1565","Jose G. Trujillo-Ferrara; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Norberto Farfan-García","<i>Exo</i> Diels‒Alder adducts between <i>ortho</i>- and <i>para</i>-<i>N</i>-acetoxyphenylmaleimides and furan","Acta Crystallographica Section C","2004","60","6","o427","o430","10.1107/S0108270104008224","","","0.71069","MoKα","","0.0815","0.0395","","","0.112","0.1265","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013935","9.703","0.001","15.856","0.001","18.845","0.0019","90","","101.962","0.005","90","","2836.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C128 H104 N8 O40 -","8","2","BM1565","Jose G. Trujillo-Ferrara; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Norberto Farfan-García","<i>Exo</i> Diels‒Alder adducts between <i>ortho</i>- and <i>para</i>-<i>N</i>-acetoxyphenylmaleimides and furan","Acta Crystallographica Section C","2004","60","6","o427","o430","10.1107/S0108270104008224","","","0.71069","MoKα","","0.1441","0.0425","","","0.1193","0.1473","","","","","","0.928","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013936","3.762","0.0002","10.686","0.004","16.447","0.009","90","","91.424","0.016","90","","661","0.4","120","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 O3 S -","- C7 H4 O3 S -","- C28 H16 O12 S4 -","4","1","BM1566","Byres, Maureen; Cox, Philip J.","The supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one (tioxolone)","Acta Crystallographica Section C","2004","60","6","o395","o396","10.1107/S0108270104008236","","","0.71073","MoKα","","","0.0371","","","","0.0825","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013937","9.657","0.003","15.213","0.003","14.679","0.002","90","","106.01","0.03","90","","2072.9","0.9","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ferron 4,4'-bipyridinium dihydrate","4,4'-bipyridinium 8-hydroxy-7-iodoquinoline-5-sulfonate dihydrate","","- C19 H18 I N3 O6 S -","- C19 H16 I N3 O6 S -","- C76 H64 I4 N12 O24 S4 -","4","1","DE1227","Madhukar Hemamalini; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni","Hydrogen-bonded supramolecular motifs in 4,4'-bipyridinium 8-hydroxy-7-iodoquinoline-5-sulfonate dihydrate","Acta Crystallographica Section C","2004","60","4","o284","o286","10.1107/S0108270104001295","","","0.71073","MoKα","","0.0841","0.0565","","","0.1402","0.1523","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013938","3.8338","0.0007","10.5755","0.0012","8.3938","0.0012","90","","96.182","0.014","90","","338.34","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[(pyridazine-κN)copper(I)]-μ~3~-thiocyanato-κ^3^N:S:S]","","- C5 H4 Cu N3 S -","- C5 H4 Cu N3 S -","- C10 H8 Cu2 N6 S2 -","2","1","DE1232","Näther, Christian; Jeß, Inke","Poly[[(pyridazine-κ<i>N</i>)copper(I)]-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>]","Acta Crystallographica Section C","2004","60","4","m153","m155","10.1107/S0108270104003750","","","0.71073","MoKα","","0.0441","0.0278","","","0.0589","0.0616","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013939","9.4773","0.0016","10.8506","0.0019","15.437","0.003","100.075","0.002","104.7","0.002","105.896","0.002","1424.9","0.4","190","2","190","2","","","","","","","","5","P 1","P 1","1","","(1R,2R)-(-)-Bis[μ~4~-1-{[1,1-dimethyl-2-(trimethylsilyl)amidino]amino}- 2-({1,1-dimethyl-2-[1,1-dimethyl-2-(trimethylsilyl)amidino]amidino}amino) cyclohexane]tetralithium(I)","","- C42 H92 Li4 N14 Si4 -","- C42 H92 Li4 N16 Si4 -","- C42 H92 Li4 N16 Si4 -","1","1","DE1235","Hu, Jing-Hua; Tong, Hong-Bo; Li, Jian-Feng; Huang, Shu-Ping; Liu, Dian-Sheng","(1<i>R</i>,2<i>R</i>)-(‒)-Bis[μ~4~-1-{[1,1-dimethyl-2-(trimethylsilyl)amidino]amino}-2-({1,1-dimethyl-2-[1,1-dimethyl-2-(trimethylsilyl)amidino]amidino}amino)cyclohexane]tetralithium(I)","Acta Crystallographica Section C","2004","60","6","m272","m274","10.1107/S0108270104008509","","","0.71073","MoKα","","0.0743","0.0657","","","0.1465","0.1561","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013940","21.871","0.004","7.0825","0.0014","11.417","0.002","90","","96.52","0.03","90","","1757.1","0.6","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[5-(4-pyridyl N-oxide)tetrazolato-κN^2^]cadmium","","- C12 H16 Cd N10 O6 -","- C12 H16 Cd N10 O6 -","- C48 H64 Cd4 N40 O24 -","4","0.5","DE1236","Yu, Zhaoxiang; Wang, Xiaoping; Feng, Yaoyu","Tetraaquabis[5-(4-pyridyl <i>N</i>-oxide)tetrazolato-κ<i>N</i>^2^]cadmium: the intermediate in the synthesis of a tetrazole from a nitrile and an azide","Acta Crystallographica Section C","2004","60","4","m194","m196","10.1107/S0108270104005864","","","0.71073","MoKα","","0.0291","0.0263","","","0.0649","0.0662","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013941","7.7548","0.0012","10.5687","0.0016","12.1678","0.0019","88.238","0.003","77.76","0.002","69.813","0.002","913.7","0.2","273","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquacobalt(II)-di-μ~4~-benzene-1,2,4-tricarboxylato-bis[1,10- phenanthrolinecobalt(II)]]","","- C42 H26 Co3 N4 O14 -","- C42 H26 Co3 N4 O14 -","- C42 H26 Co3 N4 O14 -","1","0.5","DE1237","Hu, Mao-Lin; Yuan, Ji-Xin; Xiao, Hong-Ping; Chen, Fan","Poly[diaquacobalt(II)-di-μ~4~-benzene-1,2,4-tricarboxylato-bis[1,10-phenanthrolinecobalt(II)]]","Acta Crystallographica Section C","2004","60","6","m235","m237","10.1107/S0108270104007851","","","0.71073","MoKα","","0.0705","0.0661","","","0.1444","0.1466","","","","","","1.221","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013942","10.734","0.005","14.786","0.005","8.533","0.005","90","","97.053","0.005","90","","1344","1.1","293","","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","DN1045","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Kazak, Canan; Erdönmez, Ahmet","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde and 3-methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","Acta Crystallographica, Section C","2004","60","","o455","o457","10.1107/S0108270104010844","","","0.71069","MoKα","","0.04","0.031","","","0.074","0.078","","","","","","0.93","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013943","6.746","0.005","12.529","0.005","15.556","0.005","90","","91.842","0.005","90","","1314.1","1.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","DN1045","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Kazak, Canan; Erdönmez, Ahmet","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde and 3-methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","Acta Crystallographica, Section C","2004","60","","o455","o457","10.1107/S0108270104010844","","","0.71069","MoKα","","0.082","0.045","","","0.088","0.098","","","","","","0.84","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013944","22.635","0.002","3.733","0.0003","17.126","0.002","90","","102.054","0.008","90","","1415.2","0.2","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3-Formylphenyl)boronic acid","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C56 H56 B8 O24 -","8","1","DN1046","Zarychta, Bartosz; Zaleski, Jacek; Sporzyński, Andrzej; Dąbrowski, Marek; Serwatowski, Janusz","3-Formylphenylboronic acid","Acta Crystallographica Section C","2004","60","5","o344","o345","10.1107/S0108270104006493","","","0.71073","MoKα","","0.0489","0.0363","","","0.0936","0.099","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013945","13.7622","0.0015","11.8849","0.0013","15.8788","0.0017","90","","107.914","0.002","90","","2471.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Z-2-(α,β-Dicarbomethoxyvinyl)cyclopentadien-1-ylidenetriphenylphosphorane","dimethyl (Z)-1-[2-(triphenylphosphoranylidene)cyclopentadien-1-yl]ethylenedicarboxylate","","- C29 H25 O4 P -","- C29 H25 O4 P -","- C116 H100 O16 P4 -","4","1","FA1050","Gilheany, Declan G.; Higham, Lee J.; Kelly, P. Gabriel; Mueller-Bunz, Helge","(E)- and {(Z)-2-[α,β-bis(methoxycarbonyl)vinyl]cyclopentadien-1- ylidene}triphenylphosphorane","Acta Crystallographica, Section C","2004","60","","o308","o311","10.1107/S0108270104006067","","","0.71073","MoKα","","0.0582","0.0483","","","0.1198","0.127","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013946","14.8041","0.0009","18.0337","0.0012","18.1151","0.0012","90","","90","","90","","4836.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","E-2-(α,β-Dicarbomethoxyvinyl)cyclopentadien-1-ylidenetriphenylphosphorane","dimethyl (E)-1-[2-(triphenylphosphoranylidene)cyclopentadien-1-yl]ethylenedicarboxylate","","- C29 H25 O4 P -","- C29 H25 O4 P -","- C232 H200 O32 P8 -","8","1","FA1050","Gilheany, Declan G.; Higham, Lee J.; Kelly, P. Gabriel; Mueller-Bunz, Helge","(E)- and {(Z)-2-[α,β-bis(methoxycarbonyl)vinyl]cyclopentadien-1- ylidene}triphenylphosphorane","Acta Crystallographica, Section C","2004","60","","o308","o311","10.1107/S0108270104006067","","","0.71073","MoKα","","0.0567","0.0425","","","0.1003","0.1062","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013947","12.016","0.002","14.141","0.002","15.406","0.002","90","","90","","90","","2617.8","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,6β-dihydroxy-olean-12-en-27-oic acid","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","FA1051","Hong-Xiang Sun; Yuan-Jiang Pan","3β,6β-Dihydroxyolean-12-en-27-oic acid: a cytotoxic and apoptosis-inducing oleanane triterpenoid from the rhizome of <i>Astilbe chinensis</i>","Acta Crystallographica Section C","2004","60","4","o300","o302","10.1107/S0108270104005530","","","0.71073","MoKα","","0.0484","0.0367","","","0.0832","0.086","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013948","18.2744","0.0014","12.649","0.0011","17.76","0.002","90","","111.621","0.007","90","","3816.4","0.6","296","1","296","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","chloro[2-(4-imidazolyl-κN^1^)ethylamine-κN](1,10-phenanthroline- κ^2^N,N')copper(II) chloride monohydrate","","- C17 H19 Cl2 Cu N5 O -","- C17 H19 Cl2 Cu N5 O -","- C136 H152 Cl16 Cu8 N40 O8 -","8","1","FA1052","Bivián-Castro, Egla Y.; Bernès, Sylvain; Escalante, Jaime; Mendoza-Díaz, Guillermo","Chloro(histamine)(1,10-phenanthroline)copper(II) chloride monohydrate","Acta Crystallographica Section C","2004","60","5","m205","m207","10.1107/S0108270104006560","","","0.71073","MoKα","","0.047","0.0327","","","0.0822","0.0899","","","","","","1.013","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013949","7.3218","0.001","9.0547","0.0014","10.7935","0.0015","105.638","0.013","108.079","0.012","98.697","0.012","633.14","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[(N-salicylidene-β-alaninato-κ^3^O,N,O')copper(II)] urea disolvate","","- C22 H30 Cu2 N6 O10 -","- C22 H30 Cu2 N6 O10 -","- C22 H30 Cu2 N6 O10 -","1","0.5","FA1055","Oľga Švajlenová; Ján Vančo; Jaromír Marek","Di-μ-aqua-bis[(<i>N</i>-salicylidene-β-alaninato-κ^3^<i>O,N,O</i>')copper(II)] urea disolvate","Acta Crystallographica Section C","2004","60","6","m275","m277","10.1107/S0108270104008030","","","0.71073","MoKα","","0.0364","0.0323","","","0.083","0.0851","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013950","9.8637","0.0002","16.3316","0.0005","11.311","0.0001","90","","111.726","0.002","90","","1692.66","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ-terephthalato- κ^3^O,O':O'']","","- C18 H14 Mn N2 O5 -","- C18 H14 Mn N2 O5 -","- C72 H56 Mn4 N8 O20 -","4","1","FA1056","Ma, Cheng-Bing; Hu, Ming-Qiang; Zhang, Chun-Xia; Chen, Feng; Chen,Chang-Neng; Liu, Qiu-Tian","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-terephthalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2004","60","6","m288","m290","10.1107/S0108270104007565","","","0.71073","MoKα","","0.072","0.0455","","","0.1234","0.1498","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013951","20.3579","0.0004","8.3014","0.0001","22.2513","0.0004","90","","93.865","0.001","90","","3751.9","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2RS,4RS)-N-Acetyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine","","- C23 H21 N O S -","- C23 H21 N O S -","- C184 H168 N8 O8 S8 -","8","2","FA1057","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines","Acta Crystallographica Section C","2004","60","6","o421","o426","10.1107/S0108270104008753","","","0.71073","MoKα","","0.121","0.0546","","","0.1046","0.1252","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013952","12.6348","0.0004","11.9337","0.0005","12.7904","0.0005","90","","92.549","0.002","90","","1926.63","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2RS,4RS)-N-Chloroacetyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine","","- C23 H20 Cl N O S -","- C23 H20 Cl N O S -","- C92 H80 Cl4 N4 O4 S4 -","4","1","FA1057","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines","Acta Crystallographica Section C","2004","60","6","o421","o426","10.1107/S0108270104008753","","","0.71073","MoKα","","0.0828","0.043","","","0.0868","0.0984","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013953","30.1891","0.0008","14.8005","0.0003","9.7965","0.0003","90","","102.257","0.0016","90","","4277.4","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2RS,4RS)-N-Benzoyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine","","- C28 H23 N O S -","- C28 H23 N O S -","- C224 H184 N8 O8 S8 -","8","1","FA1057","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines","Acta Crystallographica Section C","2004","60","6","o421","o426","10.1107/S0108270104008753","","","0.71073","MoKα","","0.0704","0.0428","","","0.0983","0.1088","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013954","12.227","0.004","12.936","0.003","21.51","0.006","90","","90","","90","","3402.2","1.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-{2-[(3,5-Di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}- N-(5,7-dinitroquinolin-8-yl)-1-phenylmethanesulfonamide","","- C36 H35 N5 O7 S -","- C36 H35 N5 O7 S -","- C144 H140 N20 O28 S4 -","4","1","FG1728","Borbulevych, Oleg Ya.; Kurbatov, Sergey V.; Borisenko, Sergey N.; Olekhnovich, Lev P.","<i>N</i>-{2-[(3,5-Di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}-<i>N</i>-(5,7-dinitroquinolin-8-yl)-1-phenylmethanesulfonamide: the nature of intramolecular shortened contacts","Acta Crystallographica Section C","2004","60","4","o235","o238","10.1107/S0108270104003439","","","0.71073","MoKα","","0.0627","0.0477","","","0.1118","0.1178","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013955","12.117","0.002","8.239","0.002","16.857","0.001","90","","108.804","0.008","90","","1593","0.5","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 Pd -","- C20 H14 N2 O2 Pd -","- C80 H56 N8 O8 Pd4 -","4","1","FG1730","Okabe, Nobuo; Hagihara, Kana; Odoko, Mamiko; Muranishi, Yasunori","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) and (2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2004","60","4","m150","m152","10.1107/S0108270104002690","","","0.7107","MoKα","","","0.0267","","","","0.0783","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013956","9.859","0.005","19.67","0.01","10.922","0.005","90","","94.33","0.04","90","","2112","1.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N2 O2 Pd -","- C28 H18 N2 O2 Pd -","- C112 H72 N8 O8 Pd4 -","4","1","FG1730","Okabe, Nobuo; Hagihara, Kana; Odoko, Mamiko; Muranishi, Yasunori","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) and (2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2004","60","4","m150","m152","10.1107/S0108270104002690","","","0.7107","MoKα","","","0.0437","","","","0.1346","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013957","18.9555","0.0014","8.0426","0.0004","17.1475","0.001","90","","90","","90","","2614.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","catena-Poly[europium(III)-tri-μ-2,3-dimethoxybenzoato]","","- C27 H27 Eu O12 -","- C27 H27 Eu O12 -","- C108 H108 Eu4 O48 -","4","1","FG1732","Li, Xia; Zou, Ying-Quan; Zheng, Bo; Hu, Huai-Ming","<i>catena</i>-Poly[europium(III)-tri-μ-2,3-dimethoxybenzoato]","Acta Crystallographica Section C","2004","60","5","m197","m199","10.1107/S0108270104006080","","","0.71073","MoKα","","0.0328","0.0277","","","0.0662","0.0674","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013958","8.4365","0.0005","9.0109","0.0007","15.408","0.0013","97.991","0.002","100.883","0.002","97.866","0.002","1122.95","0.15","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H35 Nd O9 -","- C20 H33 Nd O9 -","- C40 H66 Nd2 O18 -","2","1","FG1733","Borkowski, Lauren A.; Cahill, Christopher L.","Poly[[aquaneodymium(III)]-μ~3~-decane-1,10-dicarboxylato-μ~3~-9-carboxynonanecarboxylato]","Acta Crystallographica Section C","2004","60","4","m159","m161","10.1107/S0108270104003427","","","0.71073","MoKα","","0.0702","0.0589","","","0.103","0.1081","","","","","","0.978","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013959","12.885","0.002","14.089","0.002","13.519","0.003","90","","93.35","0.01","90","","2450","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13- hexaazacyclotetradecane]copper(II)]-μ-cyano-[tricyanonitrosoiron(III)]- μ-cyano]","","- C17 H30 Cu Fe N12 O3 -","- C17 H30 Cu Fe N12 O3 -","- C68 H120 Cu4 Fe4 N48 O12 -","4","1","FG1736","Shen, Liang; Wang, Hua-Tong; Zhang, Yi-Jian; Jin, Zhi-Min","<i>catena</i>-Poly[[[1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]copper(II)]-μ-cyano-[tricyanonitrosoiron(III)]-μ-cyano]","Acta Crystallographica Section C","2004","60","4","m180","m182","10.1107/S0108270104004706","","","0.71073","MoKα","","0.0468","0.0316","","","0.072","0.0759","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013960","13.1381","0.0005","16.3486","0.0007","15.7094","0.0006","90","","94.003","0.001","90","","3366","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H42 Cl5 N4 O Re S4 -","- C21 H42 Cl5 N4 O Re S4 -","- C84 H168 Cl20 N16 O4 Re4 S16 -","4","1","FG1741","Banerjee, Sangeeta Ray; Zubieta, Jon","A metal-mediated dimerization of the ligand bis(<i>N</i>,<i>N</i>-diethylamino)carbeniumdithiocarboxylate","Acta Crystallographica Section C","2004","60","5","m208","m209","10.1107/S0108270104006869","","","0.71073","MoKα","","0.0289","0.0245","","","0.0623","0.0642","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013961","9.1948","0.0002","9.8341","0.0002","12.2985","0.0003","83.145","0.001","82.933","0.001","80.865","0.001","1083.95","0.04","120","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Cl4 N4 O4 -","- C12 H32 Cl4 N4 O4 -","- C24 H64 Cl8 N8 O8 -","2","1","FG1742","Philip J. Cox; Paul Kong Thoo Lin","Two oxazane macrocycles","Acta Crystallographica Section C","2004","60","5","o321","o324","10.1107/S0108270104006687","","","0.71073","MoKα","","0.0417","0.0315","","","0.0749","0.079","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013962","7.6921","0.0002","8.392","0.0002","8.6696","0.0003","67.409","0.002","68.128","0.002","88.967","0.002","474.37","0.03","120","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 Cl4 N4 O4 -","- C10 H28 Cl4 N4 O4 -","- C10 H28 Cl4 N4 O4 -","1","0.5","FG1742","Philip J. Cox; Paul Kong Thoo Lin","Two oxazane macrocycles","Acta Crystallographica Section C","2004","60","5","o321","o324","10.1107/S0108270104006687","","","0.71073","MoKα","","0.0392","0.0302","","","0.072","0.0753","","","","","","1.047","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013963","6.024","0.002","10.371","0.003","9.917","0.003","90","","97.53","0.03","90","","614.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5,5-dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinan-2-one","","- C11 H15 O6 P -","- C11 H15 O6 P -","- C22 H30 O12 P2 -","2","1","FG1743","Ślepokura, Katarzyna; Lis, Tadeusz","5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-oxide","Acta Crystallographica Section C","2004","60","5","o315","o317","10.1107/S0108270104006110","","","0.71073","MoKα","","0.0354","0.0328","","","0.0804","0.0819","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013964","9.4916","0.001","10.7191","0.0011","17.836","0.0019","99.58","0.002","92.278","0.002","108.726","0.002","1686.2","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","[Ni(fupy)~4~(NCS)~2~].THF","tetrakis(furo[3,2-c]pyridine)bis(isothiocyanato)nickel(II) tetrahydrofuran solvate","","- C34 H28 N6 Ni O5 S2 -","- C34 H28 N6 Ni O5 S2 -","- C68 H56 N12 Ni2 O10 S4 -","2","1","FG1744","Miklovič, Jozef; Krutošíková, Alžbeta; Baran, Peter","Two furopyridine complexes of nickel(II) isothiocyanate","Acta Crystallographica Section C","2004","60","5","m227","m230","10.1107/S0108270104007796","","","0.71073","MoKα","","0.0444","0.0364","","","0.1035","0.1089","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013965","9.1663","0.001","10.5562","0.0011","12.1745","0.0013","79.863","0.002","79.03","0.002","74.521","0.002","1104.7","0.2","299","2","299","2","","","","","","","","6","P -1","-P 1","2","[Ni(Me~2~fupy)~4~(NCS)~2~].6.6H~2~O","tetrakis(2,3-dimethylfuro[3,2-c]pyridine)bis(isothiocyanato)nickel(II) 6.6-hydrate","","- C38 H49.2 N6 Ni O10.6 S2 -","- C38 H36 N6 Ni O4 S2 -","- C38 H36 N6 Ni O4 S2 -","1","0.5","FG1744","Miklovič, Jozef; Krutošíková, Alžbeta; Baran, Peter","Two furopyridine complexes of nickel(II) isothiocyanate","Acta Crystallographica Section C","2004","60","5","m227","m230","10.1107/S0108270104007796","","","0.71073","MoKα","","0.0706","0.0524","","","0.1356","0.1516","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013966","8.8543","0.0015","11.1457","0.0019","11.5725","0.0019","109.624","0.003","106.173","0.003","107.339","0.003","931.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)","","- C10 H32 I10 N4 Pb3 -","- C10 H32 I10 N4 Pb3 -","- C10 H32 I10 N4 Pb3 -","1","0.5","FG1746","Billing, David G.; Lemmerer, Andreas","Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)","Acta Crystallographica Section C","2004","60","5","m224","m226","10.1107/S0108270104007553","","","0.71073","MoKα","","0.0506","0.036","","","0.0993","0.1037","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013967","19.663","0.004","7.5404","0.0013","21.929","0.004","90","","104.661","0.003","90","","3145.5","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzene-1,4-dicarboxylic acid N,N-dimethylformamide disolvate","","- C14 H20 N2 O6 -","- C14 H20 N2 O6 -","- C112 H160 N16 O48 -","8","1","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.0873","0.0497","","","0.1195","0.1439","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013968","12.8905","0.001","7.9398","0.0006","13.8078","0.001","90","","108.162","0.002","90","","1342.79","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","benzene-1,2,4,5-tetracarboxylic acid N,N-dimethylformamide tetrasolvate","","- C22 H34 N4 O12 -","- C22 H34 N4 O12 -","- C44 H68 N8 O24 -","2","0.5","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.0499","0.0347","","","0.088","0.1","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013969","13.8441","0.0015","19.745","0.002","6.6606","0.0007","90","","90","","90","","1820.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","benzene-1,2,3-tricarboxylic acid N,N-dimethylformamide disolvate monohydrate","","- C15 H22 N2 O9 -","- C15 H22 N2 O9 -","- C60 H88 N8 O36 -","4","1","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.057","0.0494","","","0.1299","0.1381","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013970","4.1443","0.0005","10.4459","0.0008","24.1758","0.0019","90","","90","","90","","1046.59","0.17","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Bromophenyl)-2-methyl-4-nitro-1H-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","FG1748","Kubicki, Maciej","1-(4-Bromophenyl)-2-methyl-4-nitro-1<i>H</i>-imidazole: bifurcated Br···O halogen‒nitro bonds","Acta Crystallographica Section C","2004","60","5","o341","o343","10.1107/S010827010400650X","","","0.71073","MoKα","","0.0527","0.0399","","","0.0862","0.0973","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013971","22.676","0.002","22.676","0.002","13.5195","0.0018","90","","90","","120","","6020.4","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris{bis[hydrotris(1-pyrazolyl)borato-κ^2^N,N']iron(III)} hexaisothiocyanatoiron(III)","","- C60 H60 B6 Fe4 N42 S6 -","- C60 H60 B6 Fe4 N42 S6 -","- C180 H180 B18 Fe12 N126 S18 -","3","0.166667","FG1750","Wang, Shi; Li, Yi-Zhi; Zuo, Jing-Lin; Li, Cheng-Hui; You, Xiao-Zeng","Tris{bis[hydrotris(1-pyrazolyl)borato-κ^3^<i>N</i>^2^,<i>N</i>^2'^,<i>N</i>^2''^]iron(III)} hexaisothiocyanatoiron(III)","Acta Crystallographica Section C","2004","60","6","m258","m260","10.1107/S0108270104008741","","","0.71073","MoKα","","0.0668","0.0439","","","0.0992","0.1039","","","","","","1.11","","","","has coordinates","192308","2020-10-21","18:00:00",""
"2013972","12.1443","0.0012","12.2258","0.0012","14.5543","0.0014","99.774","0.002","103.547","0.002","117.775","0.002","1758.3","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Tris[N-(4-fluorophenyl)pyridine-2-carboxamide-κ^2^N,N']cobalt(III)","","- C36 H30 Co F3 N6 O6 -","- C36 H30 Co F3 N6 O6 -","- C72 H60 Co2 F6 N12 O12 -","2","1","FR1443","Qi, Jian Ying; Yang, Qi Yun; Chan, Shu Sun; Zhou, Zhong Yuan; Chan, Albert S. C.","Tris[<i>N</i>-(4-fluorophenyl)pyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>']cobalt(III) trihydrate: a novel meridional complex","Acta Crystallographica Section C","2004","60","5","m210","m211","10.1107/S0108270104005803","","","0.71073","MoKα","","0.0512","0.0409","","","0.1058","0.1119","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013973","13.5688","0.001","7.5506","0.0006","18.0929","0.0014","90","","98.728","0.002","90","","1832.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3,4,4,5,5-Hexafluoro-1,2-bis(5-hydroxymethyl-2-methyl-3-thienyl)cyclopent-1- ene","","- C17 H14 F6 O2 S2 -","- C17 H14 F6 O2 S2 -","- C68 H56 F24 O8 S8 -","4","1","FR1446","Pu, Shou-Zhi; Zhang, Fu-Shi; Wang, Ru-Ji; Liang, Qiang","3,3,4,4,5,5-Hexafluoro-1,2-bis(5-hydroxymethyl-2-methyl-3-thienyl)cyclopent-1-ene","Acta Crystallographica Section C","2004","60","5","o305","o307","10.1107/S0108270104005815","","","0.71073","MoKα","","0.0784","0.0633","","","0.1138","0.1182","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013974","6.7602","0.0013","7.7124","0.0015","8.0237","0.0015","94.995","0.004","95.894","0.004","96.759","0.004","411.14","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,4-dimethoxybenzoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C18 H20 O8 -","2","1","FR1460","Barich, Dewey H.; Zell, Mark T.; Powell, Douglas R.; Munson, Eric J.","2,4-Dimethoxybenzoic acid and 2,5-dimethoxybenzoic acid","Acta Crystallographica Section C","2004","60","4","o261","o262","10.1107/S0108270104003063","","","0.71073","MoKα","","0.0554","0.0465","","","0.1278","0.1355","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013975","10.081","0.0017","12.534","0.002","6.6408","0.0011","90","","92.729","0.004","90","","838.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-dimethoxybenzoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","FR1460","Barich, Dewey H.; Zell, Mark T.; Powell, Douglas R.; Munson, Eric J.","2,4-Dimethoxybenzoic acid and 2,5-dimethoxybenzoic acid","Acta Crystallographica Section C","2004","60","4","o261","o262","10.1107/S0108270104003063","","","0.71073","MoKα","","0.0665","0.0598","","","0.1631","0.1677","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013976","12.2779","0.0012","13.9092","0.0012","14.2565","0.0013","61.14","0.001","80.629","0.002","88.464","0.001","2100","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[aquabis(1H-benzimidazole-κN^3^)cadmium(II)]-μ-phthalato- κ^3^O,O':O''] hemihydrate]","","- C22 H19 Cd N4 O5.5 -","- C22 H19 Cd N4 O5.5 -","- C88 H76 Cd4 N16 O22 -","4","2","FR1465","Bing-Xin Liu; Jian-Rong Su; Duan-Jun Xu","<i>catena</i>-Poly[[[aquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium(II)]-μ-phthalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] hemihydrate]","Acta Crystallographica Section C","2004","60","4","m183","m185","10.1107/S0108270104005529","","","0.71073","MoKα","","0.03","0.024","","","0.057","0.06","","","","","","1.066","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2013977","14.357","0.006","7.1964","0.0013","26.779","0.005","90","","100.35","0.04","90","","2721.8","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C112 H96 N32 O24 -","8","1","FR1466","Hörner, Manfredo; Brancher, Almir Luis; Silva, Angela; Bordinhao, Jairo; Mössmer, Cäcilia M.","3-(4-Acetylphenyl)-1-(4-nitrophenyl)triazene","Acta Crystallographica Section C","2004","60","5","o303","o304","10.1107/S0108270104004822","","","0.71073","MoKα","","","0.0523","","","","0.1423","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013978","10.354","0.002","8.269","0.002","13.512","0.003","90","","108.27","0.02","90","","1098.5","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-7-Oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-1-acetic acid","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","FR1467","Davison, Mark; Thompson, Hugh W.; Lalancette, Roger A.","(±)-7-Oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-1-acetic acid: catemeric hydrogen bonding and diastereomeric disorder in a bicyclic unsaturated ε-keto acid","Acta Crystallographica Section C","2004","60","4","o242","o244","10.1107/S0108270104003075","","","0.71073","MoKα","","0.122","0.062","","","0.142","0.171","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013979","13.618","0.003","7.2963","0.0013","18.316","0.005","90","","108.282","0.012","90","","1728","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Enoxacin","1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine- 3-carboxylic acid trihydrate","","- C15 H23 F N4 O6 -","- C15 H23 F N4 O6 -","- C60 H92 F4 N16 O24 -","4","1","FR1468","Parvez, Masood; Arayne, Saeed; Sultana, Najma; Siddiqi, Ahsan Zamir","Enoxacin trihydrate","Acta Crystallographica Section C","2004","60","4","o281","o283","10.1107/S0108270104004500","","","0.71073","MoKα","","0.051","0.036","","","0.089","0.097","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013980","4.6642","0.0012","7.831","0.002","20.607","0.005","90","","91.13","0.01","90","","752.5","0.3","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","p-decylphenyl isocyanide","","- C17 H25 N -","- C17 H25 N -","- C34 H50 N2 -","2","0.5","FR1469","Britton, Doyle; Sowa Jr, John R.; Mann, Kent R.","<i>p</i>-Decylphenyl isocyanide and <i>p</i>-decylbenzonitrile: isomorphous isonitrile/nitrile isomers","Acta Crystallographica Section C","2004","60","6","o418","o420","10.1107/S0108270104008388","","","0.71073","MoKα","","0.065","0.038","","","0.098","0.106","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013981","4.6526","0.0012","7.801","0.002","20.466","0.005","90","","90.5","0.01","90","","742.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","p-decylbenzonitrile","","- C17 H25 N -","- C17 H25 N -","- C34 H50 N2 -","2","0.5","FR1469","Britton, Doyle; Sowa Jr, John R.; Mann, Kent R.","<i>p</i>-Decylphenyl isocyanide and <i>p</i>-decylbenzonitrile: isomorphous isonitrile/nitrile isomers","Acta Crystallographica Section C","2004","60","6","o418","o420","10.1107/S0108270104008388","","","0.71073","MoKα","","0.128","0.046","","","0.093","0.107","","","","","","0.74","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013982","13.9423","0.0006","14.712","0.0008","17.2894","0.0007","90","","105.446","0.003","90","","3418.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-[1,3-bis(2,4-dimethylphenyl) imidazolidin-2-ylidene]dichlorotriphenyl phosphinepalladium(II)","","- C37 H37 Cl2 N2 P Pd -","- C37 H37 Cl2 N2 P Pd -","- C148 H148 Cl8 N8 P4 Pd4 -","4","1","FR1470","Gökçe, Aytaç Gürhan; Türkmen, Hayati; Aygün, Muhittin; Çetinkaya, Bekir; Kazak, Canan","<i>trans</i>-[1,3-Bis(2,4-dimethylphenyl)imidazolidin-2-ylidene]dichloro(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2004","60","6","m254","m255","10.1107/S0108270104008479","","","0.71073","MoKα","","0.1049","0.0456","","","0.0809","0.0937","","","","","","0.827","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013983","9.732","0.004","11.31","0.004","11.638","0.004","94.61","0.03","113.08","0.03","115.24","0.03","1017.7","0.8","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","Rubidium bis(trifluoromethanesulfonyl)imidate dioxane disolvate","","- C10 H16 F6 N O8 Rb S2 -","- C10 H16 F6 N O8 Rb S2 -","- C20 H32 F12 N2 O16 Rb2 S4 -","2","1","FR1471","Xue, Lixin; Padgett, Clifford W.; DesMarteau, Darryl D.; Pennington, William T.","Rubidium bis(trifluoromethanesulfonyl)imidate dioxane disolvate","Acta Crystallographica Section C","2004","60","5","m200","m202","10.1107/S0108270104005797","","","0.71073","MoKα","","0.082","0.0374","","","0.0581","0.0606","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013984","6.9938","0.0011","21.636","0.003","8.1078","0.0013","90","","108.724","0.003","90","","1161.9","0.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-chlorophenyldiazenyl)salicylaldehyde","","- C13 H9 Cl N2 O2 -","- C13 H9 Cl N2 O2 -","- C52 H36 Cl4 N8 O8 -","4","1","FR1474","Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","5-(2-Chlorophenyldiazenyl)salicylaldehyde and 4-(2-chlorophenyldiazenyl)-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o318","o320","10.1107/S0108270104006122","","","0.71073","MoKα","","0.061","0.044","","","0.101","0.108","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013985","16.122","0.003","8.3847","0.0012","13.359","0.002","90","","110.689","0.003","90","","1689.4","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-chlorophenyldiazenyl)-2- {[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one","","- C17 H18 Cl N3 O4 -","- C17 H18 Cl N3 O4 -","- C68 H72 Cl4 N12 O16 -","4","1","FR1474","Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","5-(2-Chlorophenyldiazenyl)salicylaldehyde and 4-(2-chlorophenyldiazenyl)-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o318","o320","10.1107/S0108270104006122","","","0.71073","MoKα","","0.052","0.034","","","0.092","0.109","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013986","6.77","0.002","13.16","0.003","15.553","0.004","90","","90","","90","","1385.7","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-parasantonic acid","(-)-α,3a,7-trimethyl-5,8-dioxo-1,4-ethanoperhydropentalene-1-acetic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FR1475","Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Parasantonic acid and its enol lactone, (+)-parasantonide: observation of the rare acid-to-acid catemeric hydrogen-bonding mode in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section C","2004","60","6","o408","o410","10.1107/S010827010400839X","","","0.71073","MoKα","","0.072","0.05","","","0.116","0.128","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013987","8.562","0.002","11.656","0.003","13.275","0.004","90","","90","","90","","1324.8","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-parasantonide","(-)-α,3a,7-trimethyl-5-oxo-1,4-ethenoperhydropentalene-1,8-carbolactone","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","FR1475","Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Parasantonic acid and its enol lactone, (+)-parasantonide: observation of the rare acid-to-acid catemeric hydrogen-bonding mode in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section C","2004","60","6","o408","o410","10.1107/S010827010400839X","","","0.71073","MoKα","","0.106","0.052","","","0.079","0.093","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013988","12.644","0.0008","8.3499","0.0003","20.1529","0.0012","90","","96.693","0.005","90","","2113.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","2","FR1477","Kos̨ar, Bas̨ak; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","3-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone and 2-hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2004","60","6","o458","o460","10.1107/S0108270104010832","","","0.71073","MoKα","","0.0529","0.0341","","","0.0872","0.093","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013989","13.2579","0.0011","7.8772","0.0008","20.4502","0.0015","90","","91.369","0.006","90","","2135.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","FR1477","Kos̨ar, Bas̨ak; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","3-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone and 2-hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2004","60","6","o458","o460","10.1107/S0108270104010832","","","0.71073","MoKα","","0.069","0.0435","","","0.1143","0.1233","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013990","5.5739","0.0012","12.814","0.003","14.396","0.003","80.425","0.014","85.53","0.02","82.67","0.02","1003.9","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(±)-3-Ethyl-2-methyl-4-oxocyclohexanecarboxylic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","FR1484","Davison, Mark; Kikolski,Elizabeth M.; Lalancette, Roger A.; Thompson, Hugh W.","(<b>±</b>)-3-Ethyl-2-methyl-4-oxocyclohexanecarboxylic acid: catemeric hydrogen bonding in a cyclic δ-keto acid","Acta Crystallographica Section C","2004","60","6","o449","o451","10.1107/S0108270104010534","","","0.71073","MoKα","","0.07","0.048","","","0.119","0.133","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013991","9.0807","0.0009","9.155","0.0009","16.0629","0.0016","90","","100.409","0.002","90","","1313.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N3 O P -","- C15 H12 N3 O P -","- C60 H48 N12 O4 P4 -","4","1","GA1045","Bowen, Richard J.; Fernandes, Manuel A.; Gitari, Patricia W.; Layh, Marcus","Tris(2-pyridyl)phosphine oxide: how C—H···O and C—H···N interactions can affect crystal packing efficiency","Acta Crystallographica Section C","2004","60","4","o258","o260","10.1107/S0108270104003956","","","0.71073","MoKα","","0.0504","0.0362","","","0.089","0.0961","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013992","7.8263","0.0009","10.8009","0.0009","15.7878","0.0012","83.457","0.005","77.039","0.007","82.326","0.007","1284","0.2","294","1","293","1","","","","","","","","3","P -1","-P 1","2","4,6-diphenyl-2-pyrimidinylamine","4,6-diphenyl-2-pyrimidinylamine","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","2","GD1292","Gallagher, John F.; Goswami, Shyamaprosad; Chatterjee, Baidyanath; Jana, Subrata; Dutta, Kalyani","N—H···N hydrogen bonding in 4,6-diphenyl-2-pyrimidinylamine isolated from the plant <i>Justicia secunda</i> (Acanthaceae)","Acta Crystallographica Section C","2004","60","4","o229","o231","10.1107/S0108270104002902","","","0.71073","MoKα","","0.085","0.047","","","0.101","0.119","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013993","15.01","0.001","9.036","0.0008","20.45","0.002","90","","98.773","0.009","90","","2741.2","0.4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H26.5 Cu N4 O4 -","- C28.5 H26.5 Cu N4 O4 -","- C114 H106 Cu4 N16 O16 -","4","0.5","GD1293","A. van der Lee; M. Barboiu","A two-dimensional network of <i>R</i>_<b>2</b>^<b>2</b>(16) and <i>R</i>_<b>4</b>^<b>2</b>(8) rings in <i>trans</i>-bis(4-aminopyridine-κ<i>N</i>^1^)bis(benzoato-κ^2^<i>O</i>,<i>O</i>')copper(II) benzene 0.75-solvate","Acta Crystallographica Section C","2004","60","4","m156","m158","10.1107/S0108270104003749","","","0.71073","MoKα","","0.1386","0.0554","","0.1679","0.139","0.139","","","","","","0.9487","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013994","20.685","0.0019","13.168","0.0013","10.488","0.011","90","","101.921","0.005","90","","2795","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[Benzoyl(hydroxyimino)methylamino]benzoic acid","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C120 H96 N16 O32 -","8","1","GD1303","Soylu, Serkan; Tas̨, Murat; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","2-[Benzoyl(hydroxyimino)methylamino]benzoic acid","Acta Crystallographica Section C","2004","60","4","o263","o264","10.1107/S0108270104003890","","","0.71073","MoKα","","0.077","0.0412","","","0.0885","0.0973","","","","","","0.862","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013995","9.8976","0.0009","9.6168","0.0009","11.67","0.001","90","","103.313","0.007","90","","1080.94","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile","","- C11 H8 N4 O2 -","- C11 H8 N4 O2 -","- C44 H32 N16 O8 -","4","1","GD1304","Kubicki, Maciej","Cyano‒cyano and chloro‒cyano interactions in two imidazole derivatives","Acta Crystallographica Section C","2004","60","4","o255","o257","10.1107/S0108270104003294","","","0.71073","MoKα","","0.0959","0.0386","","","0.0809","0.0932","","","","","","0.913","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013996","12.6819","0.0016","6.8018","0.0011","15.1799","0.0016","90","","114.497","0.011","90","","1191.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-chlorophenyl)-2-methyl-4-nitro-1H-imidazole-5-carbonitrile","","- C11 H7 Cl N4 O2 -","- C11 H7 Cl N4 O2 -","- C44 H28 Cl4 N16 O8 -","4","1","GD1304","Kubicki, Maciej","Cyano‒cyano and chloro‒cyano interactions in two imidazole derivatives","Acta Crystallographica Section C","2004","60","4","o255","o257","10.1107/S0108270104003294","","","0.71073","MoKα","","0.0778","0.0416","","","0.0907","0.1018","","","","","","0.974","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013997","15.959","0.003","20.793","0.004","24.403","0.005","90","","90","","90","","8098","3","123","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","isoamylcobalamin acetone solvate hydrate","","","- C68.15 H126.61 Co N13 O27.03 P -","- C68.155 H122.11 Co N13 O27.035 P -","- C272.62 H488.44 Co4 N52 O108.14 P4 -","4","1","GD1306","Christopher B. Perry; Manuel A. Fernandes; Helder M. Marques","Isoamylcobalamin‒acetone‒water (1/0.385/12.650)","Acta Crystallographica Section C","2004","60","4","m165","m167","10.1107/S010827010400366X","","","0.71073","MoKα","","","0.0426","","","","0.1073","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013998","6.362","0.003","11.071","0.004","11.895","0.004","90","","90.22","0.02","90","","837.8","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrachlorodiaquatin(IV) monohydrate","","- Cl4 H6 O3 Sn -","- Cl4 H6 O3 Sn -","- Cl16 H24 O12 Sn4 -","4","1","GD1307","Genge, Anthony R. J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Hydrates of tin tetrachloride","Acta Crystallographica Section C","2004","60","4","i47","i49","10.1107/S0108270104005633","","","0.71073","MoKα","","0.0318","0.0286","","","0.0793","0.0815","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013999","23.987","0.004","6.714","0.006","11.58","0.003","90","","93.77","0.02","90","","1860.9","1.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetrachlorodiaquatin(IV) dihydrate","","- Cl4 H8 O4 Sn -","- Cl4 H8 O4 Sn -","- Cl32 H64 O32 Sn8 -","8","2","GD1307","Genge, Anthony R. J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Hydrates of tin tetrachloride","Acta Crystallographica Section C","2004","60","4","i47","i49","10.1107/S0108270104005633","","","0.71073","MoKα","","0.0291","0.0289","","","0.0741","0.0742","","","","","","1.127","","","","has coordinates,has Fobs","194546","2020-10-21","18:00:00",""
"2014000","10.8307","0.0007","23.9974","0.0015","8.6318","0.0006","90","","90.058","0.002","90","","2243.5","0.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4,4,12,12-Tetramethyl-5,8,11-triazapenta-2,14-dione 2-oxime 14-oximato-κ^5^N)copper(II) perchlorate","","- C16 H34 Cl Cu N5 O6 -","- C16 H34 Cl Cu N5 O6 -","- C64 H136 Cl4 Cu4 N20 O24 -","4","1","GD1308","Curtis, Neil F.; Gladkikh, Olga P.; Morgan, Keith R.; Heath, Sarah L.","(4,4,12,12-Tetramethyl-5,8,11-triazapenta-2,14-dione 2-oxime 14-oximato-κ^5^<i>N</i>)copper(II) perchlorate: a copper(II) compound with a pentadentate triamine‒oxime‒oximate ligand","Acta Crystallographica Section C","2004","60","6","m256","m257","10.1107/S0108270104008765","","","0.71073","MoKα","","0.0464","0.0403","","","0.0958","0.1004","","","","","","1.122","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014001","30.535","0.006","7.055","0.001","13.746","0.003","90","","109.18","0.03","90","","2796.8","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1,1-dimethylbiguanido)copper(II) hydrate","","- C8 H22 Cu N10 O -","- C8 H22 Cu N10 O -","- C64 H176 Cu8 N80 O8 -","8","1","GD1310","Lu, Liping; Yang, pin; Qin, shidong; Zhu, Miaoli","Bis[1,1-dimethylbiguanide(1‒)-κ^2^<i>N</i>^2^,<i>N</i>^5^]copper(II) monohydrate","Acta Crystallographica Section C","2004","60","5","m219","m220","10.1107/S0108270104006729","","","0.71073","MoKα","","0.0569","0.0399","","","0.088","0.0935","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014002","19.2497","0.001","19.2497","0.001","6.9209","0.0004","90","","90","","90","","2564.5","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","2-bromoresorcinol","1-Bromo-2,6-dihydroxybenzene","","- C6 H5 Br O2 -","- C6 H5 Br O2 -","- C96 H80 Br16 O32 -","16","1","GD1314","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","1-Bromo-2,6-dihydroxybenzene containing <i>R</i>~4~^4^(8) rings and <i>C</i>(2) helices","Acta Crystallographica Section C","2004","60","5","o353","o355","10.1107/S0108270104006882","","","0.71073","MoKα","","0.0413","0.026","","","0.0615","0.0644","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014003","22.535","0.002","11.9796","0.0012","16.4774","0.0017","90","","123.285","0.002","90","","3718.5","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-pivalamidato-κ^4^N,O- bis[(sulfato)(2,2'-bipyridine-κ^2^N,N')platinum(III)] tetrahydrate","","- C30 H44 N6 O14 Pt2 S2 -","- C30 H44 N6 O14 Pt2 S2 -","- C120 H176 N24 O56 Pt8 S8 -","4","0.5","GD1315","Yokokawa, Kazuo; Sakai, Ken","Di-μ-pivalamidato-κ^4^<i>N</i>:<i>O</i>;<i>O</i>:<i>N</i>-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)platinum(III)] tetrahydrate in a head-to-tail isomerism","Acta Crystallographica Section C","2004","60","6","m244","m247","10.1107/S010827010400811X","","","0.71073","MoKα","","0.0652","0.0437","","","0.1082","0.1277","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","199607","2020-10-21","18:00:00",""
"2014004","10.0619","0.0007","19.8127","0.0013","12.7511","0.0008","90","","99.594","0.002","90","","2506.4","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine","","- C25 H46 N6 -","- C25 H46 N6 -","- C100 H184 N24 -","4","1","GG1207","Herres, Sonja; Flörke, Ulrich; Henkel, Gerald","<i>N</i>,<i>N</i>'-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine and <i>N</i>,<i>N</i>'-bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine","Acta Crystallographica Section C","2004","60","5","o358","o360","10.1107/S0108270104007012","","","0.71073","MoKα","","0.0682","0.042","","","0.0838","0.0899","","","","","","0.863","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014005","6.9057","0.0007","7.6661","0.0007","16.3568","0.0016","89.307","0.003","82.355","0.002","73.152","0.002","821.07","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine","","- C15 H30 N6 -","- C15 H30 N6 -","- C30 H60 N12 -","2","1","GG1207","Herres, Sonja; Flörke, Ulrich; Henkel, Gerald","<i>N</i>,<i>N</i>'-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine and <i>N</i>,<i>N</i>'-bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine","Acta Crystallographica Section C","2004","60","5","o358","o360","10.1107/S0108270104007012","","","0.71073","MoKα","","0.1233","0.054","","","0.082","0.113","","","","","","0.836","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014006","23.987","0.002","3.9394","0.0005","22.965","0.002","90","","90","","90","","2170.1","0.4","90","0.1","90","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C96 H72 Br8 N16 O8 -","8","2","GG1208","Ejsmont, Krzysztof; Domański, Andrzej A.; Kyzioł, Janusz B.; Zaleski, Jacek","<i>trans</i>-4-Bromo-<i>ONN</i>-azoxybenzene at 100K","Acta Crystallographica Section C","2004","60","5","o368","o370","10.1107/S0108270104007103","","","0.71073","MoKα","","0.0281","0.0269","","","0.0615","0.0622","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014007","5.0776","0.0001","8.6533","0.0003","10.7804","0.0003","111.261","0.0015","102.437","0.002","93.597","0.002","425.88","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(Cyclohexylideneamino)oxyacetic acid","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","GG1209","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(Cyclohexylideneamino)oxyacetic acid and [chloro(phenyl)methyleneamino]oxyacetic acid: hydrogen-bonded <i>R</i>_2^2(8) dimers and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","4","o270","o272","10.1107/S0108270104004299","","","0.71073","MoKα","","0.0493","0.0379","","","0.0917","0.0976","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014008","6.7961","0.0001","7.3857","0.0002","10.8173","0.0003","98.4852","0.0009","93.4156","0.001","117.019","0.0012","473.44","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","[Chloro(phenyl)methyleneamino]oxyacetic acid","","- C9 H8 Cl N O3 -","- C9 H8 Cl N O3 -","- C18 H16 Cl2 N2 O6 -","2","1","GG1209","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(Cyclohexylideneamino)oxyacetic acid and [chloro(phenyl)methyleneamino]oxyacetic acid: hydrogen-bonded <i>R</i>_2^2(8) dimers and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","4","o270","o272","10.1107/S0108270104004299","","","0.71073","MoKα","","0.0444","0.0403","","","0.1293","0.1412","","","","","","1.2","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014009","12.5174","0.0007","4.2601","0.0003","16.0042","0.0009","90","","111.58","0.001","90","","793.61","0.08","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-iodo-3-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C24 H20 I4 N8 O8 -","4","1","GG1211","Garden, Simon J.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Hydrogen bonding in substituted nitroanilines: hydrogen-bonded sheets in 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2004","60","5","o328","o330","10.1107/S0108270104006092","","","0.71073","MoKα","","0.0605","0.0387","","","0.0957","0.1069","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014010","5.1689","0.0001","14.3184","0.0003","16.1506","0.0004","98.121","0.001","97.963","0.001","99.033","0.001","1152.75","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1,3-Bis[(2,4,6-trimethylbenzenesulfonyl)aminooxy]propane","","- C21 H30 N2 O6 S2 -","- C21 H30 N2 O6 S2 -","- C42 H60 N4 O12 S4 -","2","1","GG1212","Wardell, Solange M. S. V.; Rangel e Silva, Marcus V. D.; Prado, Patricia F.; Low, John N.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Propylenedioxybis(2,4,6-trimethylbenzenesulfonamide): molecules of unexpected conformation form a molecular ladder built from two independent N—H···O=S hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o325","o327","10.1107/S0108270104006109","","","0.71073","MoKα","","0.0543","0.0401","","","0.1001","0.1078","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014011","6.441","0.0013","9.633","0.0019","24.911","0.005","90","","92.98","0.03","90","","1543.5","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","GG1213","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Mark A. Minton","2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section C","2004","60","5","o334","o337","10.1107/S0108270104006924","","","0.71073","MoKα","","0.0879","0.0512","","","0.1355","0.1569","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014012","7.456","0.003","14.854","0.007","16.133","0.009","90","","96.16","0.02","90","","1776.4","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene- 3-carbonitrile","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","GG1213","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Mark A. Minton","2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section C","2004","60","5","o334","o337","10.1107/S0108270104006924","","","0.71073","MoKα","","0.0703","0.0481","","","0.1175","0.1318","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014013","7.07","0.005","11.644","0.009","12.243","0.0011","90","","94.035","0.003","90","","1005.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-hydroxy-4-oxopent-2-en-3-yl)benzonitrile","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","HJ1000","Chen, Banglin; Fronczek, Frank R.; Maverick, Andrew W.","3-(4-Cyanophenyl)pentane-2,4-dione and its copper(II) complex","Acta Crystallographica Section C","2004","60","4","m147","m149","10.1107/S0108270104002938","","","0.71073","MoKα","","0.079","0.051","","","0.121","0.138","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014014","7.6087","0.001","9.26","0.002","15.198","0.003","91.327","0.008","92.814","0.008","107.509","0.012","1019.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","bis[3-(4-cyanophenyl)pentane-2,4-dionato-κ^2^O,O]copper(II)","","- C24 H20 Cu N2 O4 -","- C24 H20 Cu N2 O4 -","- C48 H40 Cu2 N4 O8 -","2","1","HJ1000","Chen, Banglin; Fronczek, Frank R.; Maverick, Andrew W.","3-(4-Cyanophenyl)pentane-2,4-dione and its copper(II) complex","Acta Crystallographica Section C","2004","60","4","m147","m149","10.1107/S0108270104002938","","","0.71073","MoKα","","0.056","0.038","","","0.08","0.087","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014015","22.174","0.004","7.9968","0.0016","22.519","0.005","90","","94.5","0.03","90","","3980.8","1.4","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N P -","- C25 H22 N P -","- C200 H176 N8 P8 -","8","1","HJ1003","Pretorius, Marié; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred","[2-(Anilinomethyl)phenyl]diphenylphosphine and {2-[(<i>N</i>-methylanilino)methyl]phenyl}diphenylphosphine","Acta Crystallographica Section C","2004","60","6","o384","o386","10.1107/S0108270104007693","","","0.71073","MoKα","","","0.0455","","","","0.1031","","","","","","0.862","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014016","23.518","0.005","8.2811","0.0017","21.892","0.004","90","","93.04","0.03","90","","4257.6","1.5","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N P -","- C26 H24 N P -","- C208 H192 N8 P8 -","8","1","HJ1003","Pretorius, Marié; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred","[2-(Anilinomethyl)phenyl]diphenylphosphine and {2-[(<i>N</i>-methylanilino)methyl]phenyl}diphenylphosphine","Acta Crystallographica Section C","2004","60","6","o384","o386","10.1107/S0108270104007693","","","0.71073","MoKα","","","0.0464","","","","0.1142","","","","","","0.912","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014017","16.423","0.003","5.005","0.001","7.654","0.002","90","","90","","90","","629.1","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Glycine lithium sulfate","","","- C2 H5 Li2 N O6 S -","- C2 H5 Li2 N O6 S -","- C8 H20 Li8 N4 O24 S4 -","4","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0266","0.0246","","","0.0646","0.066","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014018","8.203","0.002","5.475","0.001","8.311","0.002","90","","90.97","0.03","90","","373.21","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Glycine nickel dichloride dihydrate","","","- C2 H9 Cl2 N Ni O4 -","- C2 H9 Cl2 N Ni O4 -","- C4 H18 Cl4 N2 Ni2 O8 -","2","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0161","0.0157","","","0.0375","0.0376","","","","","","1.125","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014019","8.44","0.002","8.278","0.002","12.521","0.003","90","","90","","90","","874.8","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Glycine zinc sulfate trihydrate","","","- C2 H11 N O9 S Zn -","- C2 H11 N O9 S Zn -","- C8 H44 N4 O36 S4 Zn4 -","4","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0399","0.0301","","","0.0628","0.0669","","","","","","1.018","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014020","13.5603","0.001","7.8549","0.0006","15.8121","0.0011","90","","101.063","0.002","90","","1652.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diospyrin","1',5-dihydroxy-3',7-dimethyl-2,2'-binaphthalene-1,4,5',8'-tetrone","","- C22 H14 O6 -","- C22 H14 O6 -","- C88 H56 O24 -","4","1","HJ1005","Harrison, William T. A.; Musgrave, Oliver C.","Diospyrin","Acta Crystallographica Section C","2004","60","6","o399","o401","10.1107/S0108270104007826","","","0.71073","MoKα","","0.0911","0.046","","","0.11","0.127","","","","","","0.918","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014021","23.448","0.002","6.351","0.0005","20.79","0.003","90","","109.94","0.01","90","","2910.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ethyl-α-anilinobenzylphosphonate","Monoethyl [α-(phenylaminio)benzyl]phosphonate","","- C15 H18 N O3 P -","- C15 H18 N O3 P -","- C120 H144 N8 O24 P8 -","8","1","HJ1006","Višnjevac, Aleksandar; Tušek-Božić, Ljerka","Two types of monoethyl α-anilinobenzylphosphonates: a zwitterion and a molecular compound","Acta Crystallographica Section C","2004","60","6","o434","o437","10.1107/S0108270104009497","","","1.54179","CuKα","","0.091","0.0499","","","0.1156","0.1329","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014022","35.2","0.02","6.419","0.004","22.86","0.01","90","","127.42","0.04","90","","4102","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","monoethyl {α-[4-(phenyldiazenyl)anilino]benzyl}phosphonate","","- C21 H22 N3 O3 P -","- C21 H22 N3 O3 P -","- C168 H176 N24 O24 P8 -","8","1","HJ1006","Višnjevac, Aleksandar; Tušek-Božić, Ljerka","Two types of monoethyl α-anilinobenzylphosphonates: a zwitterion and a molecular compound","Acta Crystallographica Section C","2004","60","6","o434","o437","10.1107/S0108270104009497","","","1.5418","CuKα","","0.1157","0.0611","","","0.1338","0.1605","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014023","17.08","0.003","14.691","0.0018","5.5356","0.0007","90","","90","","90","","1389","0.3","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","Magnesium Sodium Pyrovanadate","","","- Mg2 Na6 O15 V4 -","- Mg2 Na6 O15 V4 -","- Mg8 Na24 O60 V16 -","4","0.5","IZ1039","Mitiaev, Alexander, S; Mironov, Andrei, V.; Shpanchenko, Roman, V.; Antipov, Evgeny, V.","Sodium magnesium bis(vanadate) pyrovanadate: Na~6~Mg~2~(VO~4~)~2~(V~2~O~7~)","Acta Crystallographica Section C","2004","60","5","i56","i58","10.1107/S0108270104005384","","","0.71069","MoKα","","0.0372","0.0372","","","0.0498","0.0498","","","","","","1.71","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014024","9.201","0.0012","29.032","0.005","9.2079","0.0017","90","","115.45","0.03","90","","2221","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Barium zirconium oxalate hydrate","Triaquatetraoxalatodibarium(II)zirconium(IV)","","- C8 H6 Ba2 O19 Zr -","- C8 H6 Ba2 O19 Zr -","- C32 H24 Ba8 O76 Zr4 -","4","0.5","IZ1040","Vertruyen, Bénédicte; Robertz, Bénédicte; Guillaume, Bernard; Rulmont, André; Spirlet, Marie-Rose","Dibarium zirconium tetraoxalate trihydrate","Acta Crystallographica Section C","2004","60","6","m233","m234","10.1107/S0108270104006791","","","0.71073","MoKα","","0.0669","0.0468","","","0.1151","0.1244","","","","","","1.049","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2014025","9.5012","0.0001","9.5012","0.0001","56.4199","0.0006","90","","90","","120","","4410.83","0.08","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Dicaesium pentadecamolybdenum nonadecasulfide","","- Cs2 Mo15 S19 -","- Cs2 Mo15 S19 -","- Cs12 Mo90 S114 -","6","0.166667","IZ1041","Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.","Cs~2~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section C","2004","60","6","i61","i62","10.1107/S0108270104008248","","","0.71069","MoKα","","0.0403","0.03","","","0.0584","0.0617","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014026","11.567","0.004","12.833","0.004","17.572","0.006","108.031","0.006","95.774","0.006","111.805","0.006","2233.1","1.3","203","2","203","2","","","","","","","","3","P -1","-P 1","2","3,4,5-Triiodotetraphenylmethane","Triphenyl(3,4,5-triiodophenyl)methane","","- C25 H17 I3 -","- C25 H17 I3 -","- C100 H68 I12 -","4","2","JZ1609","Reddy, C. Malla; Nangia, Ashwini; Jetti, Ram K. R.; Boese, Roland","Triphenyl(3,4,5-triiodophenyl)methane","Acta Crystallographica Section C","2004","60","5","o331","o333","10.1107/S0108270104006146","","","0.71073","MoKα","","0.0758","0.0587","","","0.1707","0.1843","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014027","6.7444","0.0012","11.718","0.003","15.734","0.002","90","","90","","90","","1243.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","JZ1612","Seela, Frank; Jawalekar, Anup M.; Eickmeier, Henning","1-(2-Deoxy-β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-4-nitro-1<i>H</i>-indazole","Acta Crystallographica Section C","2004","60","6","o387","o389","10.1107/S0108270104008005","","","0.71073","MoKα","","0.0413","0.0375","","","0.101","0.105","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014028","32.322","0.005","32.322","0.005","8.084","0.002","90","","90","","120","","7314","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","N-{(1E)-Amino[3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1- yl]methylene}-1H-imidazole-1-carboxamide","","- C16 H18 N6 O -","- C16 H18 N6 O -","- C288 H324 N108 O18 -","18","1","JZ1613","Viktor Kettmann; Jan Světlík; Jiří Kubišta","<i>N</i>-{(1<i>E</i>)-Amino[3-methyl-5-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]methylene}-1<i>H</i>-imidazole-1-carboxamide","Acta Crystallographica Section C","2004","60","6","o431","o433","10.1107/S010827010400890X","","","0.71073","MoKα","","0.0637","0.0402","","","0.0967","0.1081","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014029","5.2254","0.0004","12.9371","0.0009","10.5425","0.0006","90","","94.247","0.003","90","","710.73","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly[[dichloro-zinc(II)]-μ-1,3-di-4-pyridylpropane-κ^2^N:N']","","- C13 H14 Cl2 N2 Zn -","- C13 H14 Cl2 N2 Zn -","- C26 H28 Cl4 N4 Zn2 -","2","0.5","NA1639","Chen, Yu-Biao; Kang, Yao; Qin, Ye-Yan; Li, Zhao-Ji; Cheng, Jian-Kai; Hu, Rui-Feng; Wen, Yi-Hang; Yao, Yuan-Gen","<i>catena</i>-Poly[[dichlorozinc(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","4","m168","m169","10.1107/S0108270104003592","","","0.71073","MoKα","","","0.0599","","","0.1376","0.1528","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014030","14.366","0.005","5.545","0.002","15.53","0.006","90","","92.36","0.006","90","","1236.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-chlorobenzoato-2-aminopyridinesilver(I)","","- C24 H20 Ag2 Cl2 N4 O4 -","- C24 H20 Ag2 Cl2 N4 O4 -","- C48 H40 Ag4 Cl4 N8 O8 -","2","0.5","NA1642","Zhu, Hai-Liang; Qiu, Xiao-Yang; Yang, Song; Shao, Si-Chang; Ma, Ji-Long; Sun, Lin","Bis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>)bis[(2-aminopyridine-κ<i>N</i>)silver(I)]","Acta Crystallographica Section C","2004","60","4","m170","m171","10.1107/S0108270104003609","","","0.71073","MoKα","","0.0592","0.0353","","","0.0832","0.1106","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014031","5.678","0.002","8.424","0.003","12.404","0.005","100.17","0.03","93.85","0.03","107.96","0.04","550.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(phenylaminomethylidene)cyclohexane-1,3-dione","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","NA1643","Viktor Kettmann; Jan Lokaj; Viktor Milata; Milan Marko; Magdaléna Štvrtecká","2-(Phenylaminomethylidene)cyclohexane-1,3-dione","Acta Crystallographica Section C","2004","60","4","o252","o254","10.1107/S0108270104003610","","","0.71073","MoKα","","0.1176","0.0645","","","0.1615","0.199","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014032","7.4895","0.0006","9.7648","0.0008","10.1427","0.0008","87.661","0.001","69.497","0.001","82.771","0.001","689.26","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Diazabicyclo[2.2.2]octane-1,4-diium Trichromate","","- C6 H14 Cr3 N2 O10 -","- C6 H14 Cr3 N2 O10 -","- C12 H28 Cr6 N4 O20 -","2","1","NA1645","Cheng Rong Ding; Zhi Min Jin; Hai Bin Wang; Mao Lin Hu; He Lin","1,4-Diazabicyclo[2.2.2]octane-1,4-diium trichromate","Acta Crystallographica Section C","2004","60","5","m203","m204","10.1107/S0108270104004007","","","0.71073","MoKα","","0.0301","0.0293","","","0.0844","0.0851","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014033","5.637","0.0004","8.71","0.0008","8.8431","0.0006","96.219","0.007","93.414","0.006","97.604","0.007","426.63","0.06","298","2","","","","","","","","","","4","P -1","-P 1","2","","N,N,N',N'-Tetramethyldiammonium‒succinate‒succinic acid (1/1/1)","","- C14 H28 N2 O8 -","- C14 H28 N2 O8 -","- C14 H28 N2 O8 -","1","0.5","NA1646","Bruno, Giuseppe; Rotondo, Archimede; De Luca, Lidia; Sammartano, Silvio; Nicoló, Francesco","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium‒succinate‒succinic acid (1/1/1)","Acta Crystallographica Section C","2004","60","4","o287","o289","10.1107/S0108270104005785","","","0.71073","MoKα","","","0.0419","","","","0.1169","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014034","7.7094","0.0006","22.404","0.002","12.696","0.0014","90","","93.751","0.007","90","","2188.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4,6,6-Tetrachlorocyclo-2,2-(propylenedioxydi-o-phenylenediimino)- 2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine","","- C15 H16 Cl4 N5 O2 P3 -","- C15 H16 Cl4 N5 O2 P3 -","- C60 H64 Cl16 N20 O8 P12 -","4","1","NA1648","Tercan, Barış; Hökelek, Tuncer; Bilge, Selen; Özgüç, Bilgehan; Kılıç, Zeynel","4,4,6,6-Tetrachloro-2,2-(propylenedioxydi-<i>o</i>-phenylenediimino)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene","Acta Crystallographica Section C","2004","60","6","o381","o383","10.1107/S0108270104006894","","","0.71073","MoKα","","0.0738","0.0384","","","0.0966","0.1095","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014035","5.635","0.0014","8.2897","0.0018","17.382","0.004","90","","99.256","0.009","90","","801.4","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucyl-L-phenylalanine","","- C15 H26 N2 O5 -","- C15 H26 N2 O5 -","- C30 H52 N4 O10 -","2","1","NA1649","Görbitz, Carl Henrik","<small>L</small>-Isoleucyl-<small>L</small>-phenylalanine dihydrate","Acta Crystallographica Section C","2004","60","5","o371","o373","10.1107/S0108270104007255","","","0.71073","MoKα","","0.0641","0.0389","","","0.0745","0.0816","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014036","18.534","0.003","18.534","0.003","14.693","0.004","90","","90","","90","","5047.2","1.8","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate","","- C20 H20 N6 O6 S4 Zn -","- C20 H20 N6 O6 S4 Zn -","- C160 H160 N48 O48 S32 Zn8 -","8","0.25","NA1653","Wen, Yi-Hang; Zhang, Jian; Cheng, Jian-Kai; Li, Zhao-Ji; Qin, Ye-Yan; Kang, Yao; Hu, Rui-Feng; Yao, Yuan-Gen","Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate","Acta Crystallographica Section C","2004","60","6","m248","m249","10.1107/S0108270104008042","","","0.71073","MoKα","","","0.0201","","","0.0545","0.0545","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014037","6.015","0.002","13.073","0.004","29.501","0.01","90","","91.441","0.007","90","","2319.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-[4-phenyl-6-(pyridinium-2-yl)pyridin-2-yl]pyridinium diperchlorate","","- C22 H19 Cl2 N3 O8 -","- C22 H19 Cl2 N3 O8 -","- C88 H76 Cl8 N12 O32 -","4","1","NA1654","Schulz, Burkhard; Bricks, Julia; Li, Yan-Qin; Resch-Genger, Ute; Reck, Günter","Monoalkylated 4'-aryl-substituted terpyridines","Acta Crystallographica Section C","2004","60","6","o402","o404","10.1107/S010827010400825X","","","0.71073","MoKα","","0.0852","0.0542","","","0.163","0.1743","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014038","13.854","0.004","13.448","0.004","12.141","0.004","90","","111.146","0.005","90","","2109.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(methoxyphenyl)-2,2'-bipyridin-6-yl]-1-methylpyridinium iodide","","- C23 H20 I N3 O -","- C23 H20 I N3 O -","- C92 H80 I4 N12 O4 -","4","1","NA1654","Schulz, Burkhard; Bricks, Julia; Li, Yan-Qin; Resch-Genger, Ute; Reck, Günter","Monoalkylated 4'-aryl-substituted terpyridines","Acta Crystallographica Section C","2004","60","6","o402","o404","10.1107/S010827010400825X","","","0.71073","MoKα","","0.0418","0.0376","","","0.1218","0.1243","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014039","7.272","0.001","23.07","0.005","10.753","0.002","90","","106.82","0.03","90","","1726.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,6-Diaminohexanesilver(I) cinnamate dihydrate","","- C15 H27 Ag N2 O4 -","- C15 H27 Ag N2 O4 -","- C60 H108 Ag4 N8 O16 -","4","1","NA1655","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>catena</i>-Poly[[silver(I)-μ-hexane-1,6-diamine-κ^2^<i>N</i>:<i>N</i>'] cinnamate dihydrate]","Acta Crystallographica Section C","2004","60","6","m231","m232","10.1107/S0108270104007802","","","0.71073","MoKα","","0.0633","0.0486","","","0.0916","0.0965","","","","","","1.13","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014040","9.441","0.006","9.805","0.006","13.936","0.009","102.385","0.011","98.58","0.012","101.351","0.011","1210.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[silver(I)-μ~3~-2,2'-[o-phenylenebis(methylenethio)]dianiline- κ^4^N:S,S':N'] nitrate chloroform solvate]","","- C21 H21 Ag Cl3 N3 O3 S2 -","- C21 H21 Ag Cl3 N3 O3 S2 -","- C42 H42 Ag2 Cl6 N6 O6 S4 -","2","1","NA1660","Zheng, Yan; Wang, Shu-Li","<i>catena</i>-Poly[[silver(I)-μ~3~-2,2'-[<i>o</i>-phenylenebis(methylenethio)]dianiline-κ^4^<i>N</i>:<i>S</i>,<i>S</i>':<i>N</i>'] nitrate chloroform solvate]","Acta Crystallographica Section C","2004","60","6","m278","m279","10.1107/S0108270104009473","","","0.71073","MoKα","","0.1042","0.0528","","","","0.1522","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014041","30.344","0.003","3.6676","0.0003","19.1508","0.0017","90","","107.578","0.001","90","","2031.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-1,10-phenanthrolin-2-olato-κ^3^N,N',O)dicopper(I) monohydrate","","- C24 H16 Cu2 N4 O3 -","- C24 H14 Cu2 N4 O3 -","- C96 H56 Cu8 N16 O12 -","4","0.5","NA1661","Lu, Li-Ping; Feng, Si-Si; Zhang, Hong-Mei; Zhu, Miao-Li","Bis(μ-1,10-phenanthrolin-2-olato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>)dicopper(I)(<i>Cu{—</i>Cu}) monohydrate","Acta Crystallographica Section C","2004","60","6","m283","m284","10.1107/S0108270104010078","","","0.71073","MoKα","","0.0693","0.0613","","","0.1919","0.1976","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014042","8.7393","0.0009","8.9284","0.0009","15.9117","0.0017","90","","90","","90","","1241.6","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene","","- C10 H18 N2 S2 -","- C10 H18 N2 S2 -","- C40 H72 N8 S8 -","4","1","OB1167","Jem-Mau Lo; Golam Mostafa; Ling-Yin Chang; Fen-Ling Liao; Tian-Huey Lu","3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene","Acta Crystallographica Section C","2004","60","4","o276","o277","10.1107/S0108270104004688","","","0.71073","MoKα","","0.076","0.0349","","","0.0688","0.0836","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014043","13.145","0.005","13.333","0.004","14.332","0.004","90","","90","","90","","2511.9","1.4","297.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C14 H36 Cl2 Cu N4 O10 -","- C14 H36 Cl2 Cu N4 O10 -","- C56 H144 Cl8 Cu4 N16 O40 -","4","0.25","OB1168","Akitsu, Takashiro; Einaga, Yasuaki","Bis(acetone-κ<i>O</i>)bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate","Acta Crystallographica Section C","2004","60","4","m162","m164","10.1107/S010827010400349X","","","0.7107","MoKα","","","0.0554","","","","0.1799","","","","","","1.081","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014044","8.6247","0.0012","14.7854","0.001","16.6181","0.0014","90","","99.352","0.012","90","","2091","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,14-Dioxa-5,10-diaza-2,3:12,13-dibenzocyclooctadeca-2,12-diene monohydrate","","- C22 H32 N2 O3 -","- C22 H32 N2 O3 -","- C88 H128 N8 O12 -","4","1","OB1170","Hökelek, Tuncer; Kaya, Elif Ece; Kılıç, Zeynel","1,14-Dioxa-5,10-diaza-2,3:12,13-dibenzocyclooctadeca-2,12-diene monohydrate","Acta Crystallographica Section C","2004","60","4","o278","o280","10.1107/S0108270104004949","","","0.71073","MoKα","","0.1294","0.0502","","","0.1264","0.1575","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014045","14.759","0.003","17.829","0.004","15.736","0.004","90","","92.669","0.012","90","","4136.3","1.6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Azido[1,1'- bis(diphenylphosphino)ferrocene](pentamethylcyclopentadienyl)rhodium(III) hexafluorophosphate","Azido-2κN-bis[μ-(1η^5^:2κP)-diphenylphosphinocyclopentadienyl][2(η^5^)- pentamethylcyclopentadienyl]iron(III)rhodium(III) hexafluorophosphate","","- C44 H43 F6 Fe N3 P3 Rh -","- C44 H43 F6 Fe N3 P3 Rh -","- C176 H172 F24 Fe4 N12 P12 Rh4 -","4","1","OB1171","Han, Won Seok; Lee, Soon W.","Azido[1,1'-bis(diphenylphosphino)ferrocene](pentamethylcyclopentadienyl)rhodium(III) hexafluorophosphate","Acta Crystallographica Section C","2004","60","4","m189","m190","10.1107/S0108270104004779","","","0.71073","MoKα","","0.1448","0.0645","","","0.1255","0.1588","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014046","9.2663","0.0005","7.0716","0.0004","15.461","0.001","90","","90.194","0.002","90","","1013.12","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-3-hydroxy-4-phenylthiazolium chloride","","- C9 H9 Cl N2 O S -","- C9 H9 Cl N2 O S -","- C36 H36 Cl4 N8 O4 S4 -","4","1","OB1172","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Amino-3-hydroxy-4-phenylthiazolium chloride: π-stacked hydrogen-bonded chains of edge-fused <i>R</i>_<b>4</b>^<b>2</b>(11) rings","Acta Crystallographica Section C","2004","60","4","o273","o275","10.1107/S0108270104004780","","","0.71073","MoKα","","0.0638","0.0448","","","0.1089","0.1192","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014047","11.906","0.0001","14.795","0.0006","18.6611","0.0007","90","","97.057","0.002","90","","3262.24","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Pentaethylenehexamine manganese(II) pentaborate","","- C10 H36 B10 Mn N6 O20 -","- C10 H36 B10 Mn N6 O20 -","- C40 H144 B40 Mn4 N24 O80 -","4","0.5","OB1173","Hong-Xia Zhang; Shou-Tian Zheng; Guo-Yu Yang","Pentaethylenehexaminemanganese(II) pentaborate","Acta Crystallographica Section C","2004","60","6","m241","m243","10.1107/S0108270104007942","","","0.71073","MoKα","","0.1469","0.0764","","","0.1208","0.15","","","","","","1.192","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014048","6.9909","0.0014","11.719","0.002","11.2519","0.0016","90","","96.909","0.009","90","","915.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[iron(II)-di-μ-imidazole-4,5-dicarboxylato-κ^3^N^3^,O^4^:O^5^]","","- C10 H6 Fe N4 O8 -","- C10 H6 Fe N4 O8 -","- C20 H12 Fe2 N8 O16 -","2","0.5","OB1176","Xu, Ying; Wang, Rui-Hu; Lou, Ben-Yong; Han, Lei; Hong, Mao-Chun","Poly[iron(II)-di-μ-imidazole-4,5-dicarboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^]","Acta Crystallographica Section C","2004","60","6","m296","m298","10.1107/S0108270104009813","","","0.71073","MoKα","","0.0546","0.0494","","","0.1714","0.1775","","","","","","1.177","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014049","10.412","0.002","8.996","0.002","10.836","0.002","90","","105.94","0.01","90","","975.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium gadolinium polyphosphate","","- Gd K O12 P4 -","- Gd K O12 P4 -","- Gd4 K4 O48 P16 -","4","1","SK1694","Rekik, Walid; Naïli, Houcine; Mhiri, Tahar","Potassium gadolinium polyphosphate, KGd(PO~3~)~4~","Acta Crystallographica Section C","2004","60","4","i50","i52","10.1107/S0108270104004603","","","0.71073","MoKα","","0.0183","0.0176","","","0.0455","0.0458","","","","","","1.239","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014050","15.3979","0.0003","10.3781","0.0002","11.8825","0.0003","90","","109.979","0.0008","90","","1784.56","0.07","160","1","160","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(P,M)-1,2,3,9,10,11-hexamethoxy-5,7-dihydrodibenz[c,e]oxepine","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","0.5","SK1701","Linden, Anthony; Furegati, Markus; Rippert, Andreas J.","(<i>P</i>,<i>M</i>)-1,2,3,9,10,11-Hexamethoxy-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine and (<i>P</i>,<i>M</i>)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","2004","60","4","o223","o225","10.1107/S010827010400294X","","","0.71073","MoKα","","0.0652","0.0442","","","0.1179","0.1297","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014051","16.6918","0.0004","9.6863","0.0003","17.5921","0.0005","90","","90","","90","","2844.32","0.14","160","1","160","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","(P,M)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[c,e]oxepine","","- C40 H32 O -","- C40 H32 O -","- C160 H128 O4 -","4","0.5","SK1701","Linden, Anthony; Furegati, Markus; Rippert, Andreas J.","(<i>P</i>,<i>M</i>)-1,2,3,9,10,11-Hexamethoxy-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine and (<i>P</i>,<i>M</i>)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","2004","60","4","o223","o225","10.1107/S010827010400294X","","","0.71073","MoKα","","0.0634","0.0454","","","0.1149","0.1285","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014052","19.308","0.003","6.0911","0.0011","16.109","0.003","90","","113.405","0.003","90","","1738.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-{4-[(2-pyridylideneamino)sulfonyl]phenyldiazenyl}salicylic acid","","- C18 H14 N4 O5 S -","- C18 H14 N4 O5 S -","- C72 H56 N16 O20 S4 -","4","1","SK1702","Blake, Alexander J.; Lin, Xiang; Schröder, Martin; Wilson, Claire; Yuan, Rong-Xin","The imide tautomer of sulfasalazine","Acta Crystallographica Section C","2004","60","4","o226","o228","10.1107/S0108270104003026","","","0.71073","MoKα","","0.104","0.0665","","","0.166","0.195","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014053","9.3723","0.0002","9.4254","0.0002","12.308","0.0003","89.7146","0.0012","68.5508","0.0011","77.0903","0.001","982.85","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-(2-Hydroxyphenyl)propan-2-one O-methyloxime","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","2","SK1704","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(<i>E</i>)-1-(2-Hydroxyphenyl)propan-2-one <i>O</i>-methyloxime forms hydrogen-bonded chains of edge-fused <i>R</i>f̱{_4^4}(16) and <i>R</i>f̱{_4^4}(24) rings","Acta Crystallographica Section C","2004","60","4","o245","o247","10.1107/S0108270104003737","","","0.71073","MoKα","","0.0692","0.0508","","","0.1356","0.1543","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014054","8.7337","0.0009","19.8208","0.0014","13.6271","0.0015","90","","99.059","0.013","90","","2329.5","0.4","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-Dicarbethoxy-3,4-dihydroxythiophene","diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate","","- C10 H12 O6 S -","- C10 H12 O6 S -","- C80 H96 O48 S8 -","8","2","SK1705","Faulmann, Christophe; Pullen, Anthony E.","A substituted EDOT precursor: diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate","Acta Crystallographica Section C","2004","60","5","o338","o340","10.1107/S0108270104006754","","","0.71073","MoKα","","0.06","0.0346","","","0.0659","0.072","","","","","","0.935","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014055","15.01","0.0005","14.7055","0.0006","22.6909","0.0006","90","","91.571","0.002","90","","5006.7","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-ethane-1,2-diylbis(diphenylphosphine oxide)-κ^2^O:O'- bis[dibenzyldichlorotin(IV)]","","- C54 H52 Cl4 O2 P2 Sn2 -","- C54 H52 Cl4 O2 P2 Sn2 -","- C216 H208 Cl16 O8 P8 Sn8 -","4","0.5","SK1706","Mohamed, E. Mothi; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","μ-Ethane-1,2-diylbis(diphenylphosphine oxide)-κ^2^<i>O</i>:<i>O</i>'-bis[dibenzyldichlorotin(IV)]: a centrosymmetric complex containing trigonal-bipyramidal tin(IV), linked into chains of rings by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","4","m172","m173","10.1107/S0108270104003981","","","0.71073","MoKα","","0.0841","0.0399","","","0.0718","0.083","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014056","5.9856","0.0003","18.1464","0.0009","10.7139","0.0004","90","","98.457","0.003","90","","1151.06","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,8,8-Trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C52 H60 N12 O4 -","4","1","SK1707","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in two fused pyrazoles: π-stacked <i>R</i>_<b>2</b>^<b>2</b>(6) dimers in 2,8,8-trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-one, and sheets of alternating <i>R</i>_2^2(12) and <i>R</i>_6^6(48) rings in 3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2004","60","4","o265","o269","10.1107/S0108270104004159","","","0.71073","MoKα","","0.0574","0.0428","","","0.105","0.1138","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014057","10.0469","0.0002","16.4547","0.0004","12.7983","0.0002","90","","108.495","0.0012","90","","2006.52","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-tert-Butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","","- C23 H29 N3 O2 -","- C23 H29 N3 O2 -","- C92 H116 N12 O8 -","4","1","SK1707","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in two fused pyrazoles: π-stacked <i>R</i>_<b>2</b>^<b>2</b>(6) dimers in 2,8,8-trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-one, and sheets of alternating <i>R</i>_2^2(12) and <i>R</i>_6^6(48) rings in 3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2004","60","4","o265","o269","10.1107/S0108270104004159","","","0.71073","MoKα","","0.0701","0.0421","","","0.1047","0.1237","","","","","","1.033","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014058","7.287","0.002","7.962","0.003","9.583","0.003","75.643","0.004","76.678","0.004","89.697","0.004","523.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[bis(1H-benzotriazole-κN^3^)cobalt(II)]-di-μ-tricyanomethanido- κ^2^N:N']","","- C20 H10 Co N12 -","- C20 H10 Co N12 -","- C20 H10 Co N12 -","1","0.5","SK1708","Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen","<i>catena</i>-Poly[[bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>'] and <i>catena</i>-poly[[bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","6","m250","m253","10.1107/S0108270104008406","","","0.71073","MoKα","","0.0524","0.0514","","","0.1294","0.1307","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014059","16.107","0.009","7.547","0.004","17.437","0.01","90","","90","","90","","2120","2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-poly[[bis(3,5-dimethyl-1H-pyrazole-κN^2^)manganese(II)-di-μ- tricyanomethanido-κ^2^N:N']","","- C18 H16 Mn N10 -","- C18 H16 Mn N10 -","- C72 H64 Mn4 N40 -","4","0.5","SK1708","Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen","<i>catena</i>-Poly[[bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>'] and <i>catena</i>-poly[[bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","6","m250","m253","10.1107/S0108270104008406","","","0.71073","MoKα","","0.0578","0.035","","","0.0782","0.0861","","","","","","0.938","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014060","8.5855","0.0003","6.6129","0.0002","22.0221","0.0008","90","","91.833","0.0017","90","","1249.67","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Nitrophenoxyacetanilide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","SK1709","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Nitrophenoxyacetanilide: a chain of rings generated by C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","4","o290","o292","10.1107/S010827010400513X","","","0.71073","MoKα","","0.0664","0.04","","","0.0972","0.108","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014061","7.4094","0.0009","14.5472","0.0016","12.8512","0.0019","90","","97.757","0.011","90","","1372.5","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[di-μ-azido-κ^4^N^1^:N^1^-bis[[bis(3-aminopropyl)methylamine- κ^3^N]copper(II)]]-μ-cyano-[dicyanonickel(II)]-μ-cyano]","","- C18 H38 Cu2 N16 Ni -","- C18 H38 Cu2 N16 Ni -","- C36 H76 Cu4 N32 Ni2 -","2","0.5","SK1710","Ghoshal, Debajyoti; Maji, Tapas Kumar; Rosair, Georgina; Mostafa, Golam","A heterometallic polymeric complex: [Cu~2~(N~3~)~2~(medpt)~2~{Ni(CN)~4~}]~<i>n~</i> [medpt is bis(3-aminopropyl)methylamine]","Acta Crystallographica Section C","2004","60","5","m212","m214","10.1107/S0108270104007152","","","0.71073","MoKα","","0.0632","0.0426","","","0.1041","0.1152","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014062","7.2644","0.0004","7.8657","0.0003","10.1522","0.0005","90","","103.19","0.002","90","","564.79","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C12 H17 N S -","- C12 H17 N S -","- C24 H34 N2 S2 -","2","1","SK1712","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","(<i>R</i>)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and <i>rac</i>-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N—H···S and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o346","o349","10.1107/S0108270104006857","","","0.71073","MoKα","","0.0318","0.0292","","","0.0688","0.07","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014063","16.1757","0.0002","12.5444","0.0003","8.2147","0.0002","90","","90","","90","","1666.88","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","rac-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C19 H21 N O S -","- C19 H21 N O S -","- C76 H84 N4 O4 S4 -","4","1","SK1712","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","(<i>R</i>)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and <i>rac</i>-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N—H···S and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o346","o349","10.1107/S0108270104006857","","","0.71073","MoKα","","0.0528","0.0453","","","0.119","0.1297","","","","","","1.257","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014064","6.8086","0.0001","10.5682","0.0003","32.5223","0.0007","80.7761","0.0009","87.7492","0.0013","74.1122","0.0011","2221.61","0.09","160","2","160","2","","","","","","","","5","P 1","P 1","1","","2'-(4-Fluorophenyl)-[1,2,3]triazolo[4',5':16,17]androst-5-en-3β-ol methanol hemisolvate","","- C25.5 H32 F N3 O1.5 -","- C25.5 H32 F N3 O1.5 -","- C102 H128 F4 N12 O6 -","4","4","SK1714","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","2'-(4-Fluorophenyl)-[1,2,3]triazolo[4',5':16,17]androst-5-en-3β-ol methanol hemisolvate","Acta Crystallographica Section C","2004","60","6","o405","o407","10.1107/S0108270104008455","","","0.71073","MoKα","","0.0623","0.0417","","","0.0825","0.0927","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014065","9.6349","0.0003","22.5791","0.0007","9.1895","0.0004","90","","91.253","0.002","90","","1998.67","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Bis[(4-methylphenyl)sulfanyl]-4H-1-benzothiopyran-4-one 1,1-dioxide","","- C23 H18 O3 S3 -","- C23 H18 O3 S3 -","- C92 H72 O12 S12 -","4","1","SK1715","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2,3-Bis[(4-methylphenyl)sulfanyl]-4<i>H</i>-1-benzothiopyran-4-one 1,1-dioxide forms a framework built from C—H···O, C—H···π(arene) and π‒π interactions","Acta Crystallographica Section C","2004","60","5","o350","o352","10.1107/S0108270104006286","","","0.71073","MoKα","","0.0859","0.044","","","0.0945","0.1071","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014066","5.2539","0.0002","16.209","0.0008","26.5417","0.0009","84.85","0.002","88.951","0.002","87.607","0.002","2248.97","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Phenoxybenzenesulfonamide","","- C12 H11 N O3 S -","- C12 H11 N O3 S -","- C96 H88 N8 O24 S8 -","8","4","SK1716","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Monoclinic pseudosymmetry in 2-phenoxybenzenesulfonamide, a triclinic structure having <i>Z</i>' = 4, and spontaneous resolution in monoclinic <i>N</i>-methyl-2-phenoxybenzenesulfonamide","Acta Crystallographica Section C","2004","60","5","o364","o367","10.1107/S010827010400719X","","","0.71073","MoKα","","0.1446","0.0655","","","0.1753","0.2027","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014067","5.3804","0.0002","7.9959","0.0004","14.4462","0.0007","90","","95.226","0.002","90","","618.91","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-methyl-2-phenoxybenzenesulfonamide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C26 H26 N2 O6 S2 -","2","1","SK1716","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Monoclinic pseudosymmetry in 2-phenoxybenzenesulfonamide, a triclinic structure having <i>Z</i>' = 4, and spontaneous resolution in monoclinic <i>N</i>-methyl-2-phenoxybenzenesulfonamide","Acta Crystallographica Section C","2004","60","5","o364","o367","10.1107/S010827010400719X","","","0.71073","MoKα","","0.0588","0.055","","","0.1411","0.1447","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014068","9.6413","0.0011","17.3888","0.0011","15.8778","0.0011","90","","95.373","0.008","90","","2650.2","0.4","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(3aS,7aS)-1-{2-Oxo-1,3-bis[(S)-1-phenylethyl]perhydro-1,3,2λ^5^- benzodiazaphosphol-2-yl]-1-phenylmethanol:","","- C29 H35 N2 O2 P -","- C29 H35 N2 O2 P -","- C116 H140 N8 O8 P4 -","4","2","SK1717","Moreno, Gloria E.; Quintero, Leticia; Bernès, Sylvain; Anaya de Parrodi, Cecilia","(3a<i>S</i>,7a<i>S</i>)-1-{2-Oxo-1,3-bis[(<i>S</i>)-1-phenylethyl]perhydro-1,3,2λ^5^-benzodiazaphosphol-2-yl}-1-phenylmethanol: a mixture of diastereoisomers in a disordered crystal","Acta Crystallographica Section C","2004","60","6","o411","o414","10.1107/S0108270104008492","","","0.71073","MoKα","","0.0702","0.0466","","","0.1182","0.1293","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014069","22.077","0.003","5.9332","0.0009","7.956","0.0008","90","","94.76","0.01","90","","1038.5","0.2","298","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C40 H52 N4 O12 -","4","1","SK1718","Ohba, Shigeru; Ito, Yoshikatsu","Ammonium 4-methoxycinnamate","Acta Crystallographica Section C","2004","60","6","o393","o394","10.1107/S0108270104008261","","","0.7107","MoKα","","","0.0469","","","","0.1486","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014070","7.8495","0.0006","14.0847","0.0015","17.2325","0.0018","113.187","0.004","98.515","0.006","96.4","0.007","1701.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Nitrophenoxy)benzoic acid","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C78 H54 N6 O30 -","6","3","SK1719","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-(4-Nitrophenoxy)benzoic acid: a three-dimensional hydrogen-bonded framework in a triclinic structure having <i>Z</i>' = 3","Acta Crystallographica Section C","2004","60","5","o361","o363","10.1107/S0108270104007036","","","0.71073","MoKα","","0.2344","0.0596","","","0.104","0.1488","","","","","","0.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014071","7.899","0.0003","10.0386","0.0003","10.05","0.0003","74.938","0.002","84.271","0.002","81.842","0.002","760.1","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4',4'-Dimethyl-2-methylsulfanyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine- 6-spiro-1'-cyclohexane-2',4,6'-trione","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C30 H38 N6 O6 S2 -","2","1","SK1722","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions","Acta Crystallographica Section C","2004","60","6","o438","o443","10.1107/S0108270104009539","","","0.71073","MoKα","","0.0582","0.0457","","","0.1179","0.1253","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014072","6.6682","0.0002","11.0319","0.0003","12.3449","0.0004","109.268","0.0018","99.8329","0.0018","101.227","0.002","813.32","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","8-Hydroxymethyl-4',4'-dimethyl-2-methylsulfanyl-3,4,5,6,7,8- hexahydropyrido[2,3-d]pyrimidine-6-spiro-1'-cyclohexane-2',4,6'-trione","","- C16 H21 N3 O4 S -","- C16 H21 N3 O4 S -","- C32 H42 N6 O8 S2 -","2","1","SK1722","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions","Acta Crystallographica Section C","2004","60","6","o438","o443","10.1107/S0108270104009539","","","0.71073","MoKα","","0.0883","0.0514","","","0.1227","0.14","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014073","8.9219","0.0005","9.9806","0.0005","11.3542","0.0007","75.662","0.003","85.58","0.003","66.526","0.003","898.22","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","8-Ethoxymethyl-4',4'-dimethyl-2-methoxy-3,4,5,6,7,8- hexahydropyrido[2,3-d]pyrimidine-6-spiro-1'-cyclohexane-2',4,6'-trione","","- C18 H25 N3 O5 -","- C18 H25 N3 O5 -","- C36 H50 N6 O10 -","2","1","SK1722","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions","Acta Crystallographica Section C","2004","60","6","o438","o443","10.1107/S0108270104009539","","","0.71073","MoKα","","0.1493","0.0559","","","0.1207","0.164","","","","","","0.952","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014074","10.538","0.002","16.214","0.003","7.1988","0.0014","90","","95.85","0.03","90","","1223.6","0.4","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N6 O4 -","- C8 H16 N6 O4 -","- C32 H64 N24 O16 -","4","1","SQ1149","Choi, Chan Soo; Venkatraman, Ramaiyer; Kim, Eun Hee; Hwang, Hae Sook; Kang, Sung Kwon","Cocrystallization of melaminium levulinate monohydrate","Acta Crystallographica Section C","2004","60","4","o295","o296","10.1107/S0108270104005207","","","0.71073","MoKα","","","0.048","","","","0.1374","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014075","5.0127","0.0008","6.032","0.0009","21.79","0.003","90","","90","","90","","658.86","0.17","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-isocyano-4-nitrobenzene","p-Nitrophenyl isocyanide","","- C7 H4 N2 O2 -","- C7 H4 N2 O2 -","- C28 H16 N8 O8 -","4","1","SQ1151","Zeller, Matthias; Hunter, Allen D.","<i>p</i>-Nitrophenyl isocyanide","Acta Crystallographica Section C","2004","60","6","o415","o417","10.1107/S0108270104007115","","","0.71073","MoKα","","0.0308","0.0301","","","0.0801","0.0808","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014076","11.1738","0.0009","8.2212","0.0007","12.1466","0.001","90","","116.224","0.002","90","","1000.96","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Polymeric (μ~2~-nitrato-κ^2^O:O')(μ~2~-nitrato-κ^2^O:O)(μ~4~-pyridinium-4- thiolato-κ^4^S:S:S:S)disilver(I)(Ag—Ag)","","- C5 H5 Ag2 N3 O6 S -","- C5 H5 Ag2 N3 O6 S -","- C20 H20 Ag8 N12 O24 S4 -","4","1","SQ1154","Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Zhao-Ji Li; Jian-Kai Cheng; Yuan-Gen Yao","Polymeric (μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>)(μ~4~-pyridinium-4-thiolato-κ^4^<i>S</i>:<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)","Acta Crystallographica Section C","2004","60","6","m263","m265","10.1107/S0108270104006936","","","0.71073","MoKα","","","0.0428","","","0.0994","0.1082","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014077","9.522","0.003","12.707","0.004","10.757","0.003","90","","99.418","0.006","90","","1284","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-aminomethyl-1H-benzimidazole-κ^2^N^2^,N^3^)dithiocyanatocopper(II)","","- C10 H9 Cu N5 S2 -","- C10 H9 Cu N5 S2 -","- C40 H36 Cu4 N20 S8 -","4","1","SQ1155","Jiang, Yun-Bo; Kou, Hui-Zhong; Gao, Fei; Wang, Ru-Ji","A novel thiocyanate-bridged one-dimensional chain complex: [Cu(NCS)~2~(Hambi)] (Hambi is 2-aminomethyl-1<i>H</i>-benzimidazole)","Acta Crystallographica Section C","2004","60","6","m261","m262","10.1107/S0108270104009102","","","0.71073","MoKα","","0.0985","0.0493","","","0.0757","0.0849","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014078","5.6432","0.0003","14.5521","0.0008","20.9417","0.0012","90","","96.799","0.007","90","","1707.65","0.17","173","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","SX1129","Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Grabowski, Sławomir J.; Epsztajn, Jan; Kowalska, Justyna A.","Isochroman derivatives and their tendency to crystallize in chiral space groups","Acta Crystallographica Section C","2004","60","4","o239","o241","10.1107/S0108270104003087","","","0.71073","MoKα","","","0.0328","","","","0.0883","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014079","6.4796","0.0004","17.968","0.0009","16.0587","0.0009","90","","90","","90","","1869.64","0.18","173","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","SX1129","Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Grabowski, Sławomir J.; Epsztajn, Jan; Kowalska, Justyna A.","Isochroman derivatives and their tendency to crystallize in chiral space groups","Acta Crystallographica Section C","2004","60","4","o239","o241","10.1107/S0108270104003087","","","0.71073","MoKα","","","0.0282","","","","0.0681","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014080","7.497","0.001","13.93","0.002","14.282","0.002","90","","90","","90","","1491.5","0.4","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","bergenin water solvate","4-methoxy-2-[tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl) pyran-2-yl]-α-resorcylic acid δ-lactone monohydrate","","- C14 H18 O10 -","- C14 H18 O10 -","- C56 H72 O40 -","4","1","SX1134","Ye, Yi-Ping; Sun, Hong-Xiang; Pan, Yuan-Jiang","Bergenin monohydrate from the rhizomae of <i>Astilbe chinensis</i>","Acta Crystallographica Section C","2004","60","6","o397","o398","10.1107/S0108270104008364","","","0.71073","MoKα","","0.0502","0.0364","","","0.084","0.0875","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014081","11.1357","0.0017","11.8679","0.0014","12.3278","0.0019","90","","90","","90","","1629.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","nickel(II) (-)-sparteine dichloride","dichloro[(-)-sparteine-N,N']nickel(II)","","- C15 H26 Cl2 N2 Ni -","- C15 H26 Cl2 N2 Ni -","- C60 H104 Cl8 N8 Ni4 -","4","1","TA1437","Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min","Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","2004","60","4","m174","m176","10.1107/S0108270104004494","","","0.71073","MoKα","","0.0841","0.0552","","","0.1174","0.1297","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014082","19.854","0.002","9.8278","0.0011","22.198","0.002","90","","109.006","0.01","90","","4095.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methylpiridinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate","","- C14 H9 N5 O2 -","- C14 H9 N5 O2 -","- C168 H108 N60 O24 -","12","3","TA1438","Tafeenko, Viktor A.; Nikolaev, Aleksander N.; Peschar, Rene; Kaukova, Olga V.; Schenk, Henk; Aslanov, Leonid A.","<i>N</i>-Methylpyridinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","Acta Crystallographica Section C","2004","60","4","o297","o299","10.1107/S0108270104005372","","","1.5418","CuKα","","0.1066","0.0567","","","0.1268","0.1525","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014083","19.309","0.004","6.421","0.0013","13.735","0.003","90","","113.2","0.03","90","","1565.2","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-tert-butoxycarbonyl-2-phenylpyrrolidine-2-carboxylic acid","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","TR1074","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Martirosyan, Vahan; Harutyunyan, Gohar; Gasparyan, Sahak","1,2,5-Substituted derivatives of 2-phenylpyrrolidine","Acta Crystallographica Section C","2004","60","6","o390","o392","10.1107/S0108270104007930","","","0.71073","MoKα","","0.0679","0.0409","","","0.0873","0.0976","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014084","8.8302","0.0018","10.077","0.002","10.094","0.002","99.74","0.03","92.53","0.03","111.39","0.03","818.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-ammoniomethyl-1-benzyl-5-oxo-2-phenylpyrrolidine chloride","","- C18 H21 Cl N2 O -","- C18 H21 Cl N2 O -","- C36 H42 Cl2 N4 O2 -","2","1","TR1074","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Martirosyan, Vahan; Harutyunyan, Gohar; Gasparyan, Sahak","1,2,5-Substituted derivatives of 2-phenylpyrrolidine","Acta Crystallographica Section C","2004","60","6","o390","o392","10.1107/S0108270104007930","","","0.71073","MoKα","","0.0471","0.0369","","","0.1007","0.1069","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014085","7.646","0.003","8.69","0.003","9.266","0.003","95.43","0.005","105.054","0.006","100.884","0.005","577.1","0.4","193.15","0.02","193","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[bis[μ-1,1'-ethane-1,2-diylbis(1,2,4-triazole)- κ^2^N^4^:N^4'^]bis[azidozinc(II)]]-di-μ-azido-κ^4^N^1^:N^1^]","","- C12 H16 N24 Zn2 -","- C12 H16 N24 Zn2 -","- C12 H16 N24 Zn2 -","1","0.5","TR1078","Xia Zhu; Baozong Li; Junhui Zhou; Baolong Li; Zhang Yong","The infinite one-dimensional chain polymer <i>catena</i>-poly[[bis[μ-1,1'-ethane-1,2-diylbis(1,2,4-triazole)-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[azidozinc(II)]]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^]","Acta Crystallographica Section C","2004","60","4","m191","m193","10.1107/S0108270104005542","","","0.71073","MoKα","","0.0275","0.0254","","","0.0619","0.0629","","","","","","1.06","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2014086","9.616","0.005","10.395","0.005","12.477","0.005","86.112","0.005","83.778","0.005","88.08","0.005","1236.5","1","293","2","","","","","","","","","","5","P -1","-P 1","2","","cis-Diphenylbis(1,3,5-triaza-7-phosphaadamantane-κP)platinum(II)","","- C24 H34 N6 P2 Pt -","- C24 H34 N6 P2 Pt -","- C48 H68 N12 P4 Pt2 -","2","1","TR1089","Muller, Alfred; Roodt, Andreas","<i>cis</i>-Diphenylbis(1,3,5-triaza-7-phosphaadamantane-κ<i>P</i>)platinum(II)","Acta Crystallographica Section C","2004","60","6","m266","m268","10.1107/S0108270104009096","","","0.71069","MoKα","","","0.0453","","","","0.0833","","","","","","0.883","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014087","10.5166","0.0016","15.297","0.002","15.497","0.002","90.788","0.003","91.362","0.004","96.273","0.003","2477.1","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Bis[tris(ethylenediamine)cobalt(III)] dichlorobis[μ-(1- hydroxyethylidene)diphosphonato(4-)]diruthenium(II,III)(Ru—Ru) chloride trihydrate","","- C16 H62 Cl3 Co2 N12 O17 P4 Ru2 -","- C16 H62 Cl3 Co2 N12 O17 P4 Ru2 -","- C32 H124 Cl6 Co4 N24 O34 P8 Ru4 -","2","1","AV1174","Peng, Yang; Li, Yi-Zhi; Bao, Song-Song; Zheng, Li-Min","Bis[tris(ethylenediamine)cobalt(III)] dichlorobis[μ-(1-hydroxyethylidene)diphosphonato(4‒)]diruthenium(II,III)(<i>Ru{‒</i>Ru}) chloride trihydrate","Acta Crystallographica Section C","2004","60","7","m302","m304","10.1107/S0108270104009333","","","0.71073","MoKα","","0.0482","0.0413","","","0.1085","0.1094","","","","","","1.086","","","","has coordinates,has Fobs","133636","2020-10-21","18:00:00",""
"2014088","10.292","0.003","11.564","0.003","13.944","0.004","95.843","0.003","109.438","0.003","103.123","0.003","1495.4","0.7","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","heptaaqua-1κ^3^O,2κ^2^O,3κ^2^O-(μ~3~-2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato-1κO;2κ^4^O,O',N,O^1^;3κ^4^O^1^N',O'',O''')dinickel(II)sodium(I) pentahydrate","","- C16 H38 Cl N2 Na Ni2 O21 -","- C16 H38 Cl N2 Na Ni2 O21 -","- C32 H76 Cl2 N4 Na2 Ni4 O42 -","2","1","AV1181","Meng, Bian-Hong; Fei, Gao; Zhu, Miao-Li","A novel Na‒O‒Ni‒O‒Ni bridging complex of Cl-HXTA, where Cl-HXTA is 2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolate","Acta Crystallographica Section C","2004","60","7","m308","m310","10.1107/S0108270104011023","","","0.71073","MoKα","","0.0682","0.047","","","0.0771","0.0813","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014089","14.334","0.002","17.766","0.003","13.849","0.002","90","","90","","90","","3526.8","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-bis(1-methylimidazole)[(R)-N,N'-bis(alpha-phenylsalicylidene)-1,2- propanediaminato]cobalt(III) perchlorate","","- C37 H36 Cl Co N6 O6 -","- C37 H36 Cl Co N6 O6 -","- C148 H144 Cl4 Co4 N24 O24 -","4","1","AV1186","Hirotsu, Masakazu; Kojima, Masaaki; Nakajima, Kiyohiko; Kashino, Setsuo; Yoshikawa, Yuzo","An unexpected chelate conformation in <i>trans</i>-[(<i>R</i>)-<i>N</i>,<i>N</i>'-bis(α-phenylsalicylidene)propane-1,2-diaminato(2‒)]bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) perchlorate","Acta Crystallographica Section C","2004","60","9","m431","m432","10.1107/S0108270104016877","","","0.71069","MoKα","","0.0712","0.0384","","","","0.1152","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014090","9.2623","0.0004","16.8814","0.0007","9.2119","0.0005","90","","96.281","0.003","90","","1431.73","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetramethylammonium pentaborate hydrate","","- C4 H16 B5 N O10.25 -","- C4 H16.5 B5 N O10.25 -","- C16 H66 B20 N4 O41 -","4","1","AV1187","Hong-Xia Zhang; Shou-Tian Zheng; Guo-Yu Yang","Tetramethylammonium pentaborate 0.25-hydrate","Acta Crystallographica Section C","2004","60","8","o545","o546","10.1107/S0108270104013915","","","0.71073","MoKα","","0.1044","0.0638","","","0.1475","0.1766","","","","","","1.118","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2014091","7.3232","0.0007","10.8613","0.001","12.0558","0.0011","97.28","0.001","100.32","0.002","91.15","0.001","934.9","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-sulfobenzenecarboxylato)bis[(1,10-phenanthroline)lead(II)] dihydrate","","- C38 H28 N4 O12 Pb2 S2 -","- C19 H14 N2 O6 Pb S -","- C38 H28 N4 O12 Pb2 S2 -","2","1","AV1191","Li, Xin-Hua; Yang, Sai-Zhen","Bis(μ-2-sulfonatobenzoato)bis[(1,10-phenanthroline)lead(II)] dihydrate","Acta Crystallographica Section C","2004","60","9","m423","m425","10.1107/S0108270104016889","","","0.71073","MoKα","","0.0272","0.0252","","","0.0607","0.0615","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014092","15.487","0.003","22.117","0.004","10.442","0.002","90","","90","","90","","3576.7","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis{μ-2-[3-(cyclohexylamino)propyliminomethyl]phenolato}bis[dichlorocopper(II)]","","- C32 H48 Cl4 Cu2 N4 O2 -","- C32 H48 Cl4 Cu2 N4 O2 -","- C128 H192 Cl16 Cu8 N16 O8 -","4","0.5","AV1192","You, Zhong-Lu; Zhu, Hai-Liang","Bis{μ-2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}bis[dichlorocopper(II)]","Acta Crystallographica Section C","2004","60","9","m445","m446","10.1107/S0108270104017718","","","0.71073","MoKα","","0.1394","0.0713","","","0.0883","0.1038","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014093","10.2148","0.0014","10.2148","0.0014","7.174","0.0014","90","","90","","120","","648.26","0.18","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","catena-Poly[1,4-diazonia[2.2.2]octane [silver(I)-tri-μ-thiocyanato-κ^6^S:S]]","","- C9 H14 Ag N5 S3 -","- C9 H14 Ag N5 S3 -","- C18 H28 Ag2 N10 S6 -","2","0.166667","AV1193","Liu, Zhao-Di; Zou, Ying; Tan, Min-Yu; Zhu, Hai-Liang","<i>catena</i>-Poly[1,4-diazoniabicyclo[2.2.2]octane [silver(I)-tri-μ-thiocyanato-κ^6^<i>S</i>:<i>S</i>]]","Acta Crystallographica Section C","2004","60","9","m447","m448","10.1107/S010827010401772X","","","0.71073","MoKα","","0.0683","0.0668","","","0.1667","0.1677","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014094","21.487","0.005","3.92","0.001","11.738","0.005","90","","111.913","0.005","90","","917.2","0.5","95","","95","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","lithium hexavanadate","","","- Li3.24 O13 V6 -","- Li3.24 O13 V6 -","- Li12.96 O52 V24 -","4","0.5","BC1040","Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O.","Lithium vanadate Li~3+<i>x~</i>V~6~O~13~ at low temperature","Acta Crystallographica Section C","2004","60","7","i66","i68","10.1107/S0108270104012508","","","0.872","Synchrotron","","0.0764","0.0764","","","0.0687","0.0687","","","","","","2.15","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014095","7.503","0.002","18.766","0.004","7.733","0.002","90","","92.59","0.03","90","","1087.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","caesium silver nickel hexathiocyanate dihydrate","dicaesium disilver nickel hexathiocyanate dihydrate","","- C6 H4 Ag2 Cs2 N6 Ni O2 S6 -","- C6 H4 Ag2 Cs2 N6 Ni O2 S6 -","- C12 H8 Ag4 Cs4 N12 Ni2 O4 S12 -","2","0.5","BC1042","Fleck, Michel","Thiocyanates of nickel and caesium: Cs~2~NiAg~2~(SCN)~6~·2H~2~O and CsNi(SCN)~3~","Acta Crystallographica Section C","2004","60","7","i63","i65","10.1107/S0108270104008790","","","0.71073","MoKα","","0.0443","0.0315","","","0.0715","0.0767","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014096","5.554","0.001","13.294","0.003","12.589","0.003","90","","96.87","0.03","90","","922.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","caesium nickel(II) thiocyanate","caesium nickel trithiocyanate","","- C3 Cs N3 Ni S3 -","- C3 Cs N3 Ni S3 -","- C12 Cs4 N12 Ni4 S12 -","4","1","BC1042","Fleck, Michel","Thiocyanates of nickel and caesium: Cs~2~NiAg~2~(SCN)~6~·2H~2~O and CsNi(SCN)~3~","Acta Crystallographica Section C","2004","60","7","i63","i65","10.1107/S0108270104008790","","","0.71073","MoKα","","0.0258","0.0222","","","0.0548","0.0567","","","","","","1.049","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014097","9.3557","0.0011","5.3107","0.0007","6.5432","0.0012","90","","108.259","0.011","90","","308.73","0.08","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","lithium hypophosphite","lithium dihydrogenphosphate(I)","","- H2 Li O2 P -","- H2 Li O2 P -","- H8 Li4 O8 P4 -","4","0.5","BC1045","Naumov, Dmitry Yu.; Naumova, Marina I.; Podberezskaya, Nina V.; Kuratieva, Natalia V.","Lithium and beryllium hypophosphites","Acta Crystallographica Section C","2004","60","8","i73","i75","10.1107/S0108270104013691","","","0.71073","MoKα","","0.0391","0.0377","","","0.1046","0.1059","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014098","5.0117","0.0005","5.0117","0.0005","20.051","0.003","90","","90","","90","","503.62","0.1","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","beryllium bis(hypophosphite)","beryllium bis[dihydrogenphosphate(I)]","","- Be H4 O4 P2 -","- Be H4 O4 P2 -","- Be4 H16 O16 P8 -","4","0.5","BC1045","Naumov, Dmitry Yu.; Naumova, Marina I.; Podberezskaya, Nina V.; Kuratieva, Natalia V.","Lithium and beryllium hypophosphites","Acta Crystallographica Section C","2004","60","8","i73","i75","10.1107/S0108270104013691","","","0.71073","MoKα","","0.041","0.0327","","","0.0923","0.0983","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014099","10.096","0.002","10.096","0.002","5.961","0.001","90","","90","","120","","526.2","0.17","293","2","293","2","","","","","","","","3","P 63","P 6c","173","cerium iron sulfide","tricerium(III) diiron(II,III) heptasulfide","","- Ce3 Fe1.94 S7 -","- Ce3 Fe1.942 S7 -","- Ce6 Fe3.884 S14 -","2","0.333333","BC1047","Mills, Allison M.; Ruck, Michael","Cerium iron sulfide, Ce~3~Fe~1.94~S~7~","Acta Crystallographica Section C","2004","60","8","i71","i72","10.1107/S0108270104013708","","","0.71073","MoKα","","0.0508","0.0505","","","0.1346","0.1353","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014100","8.349","0.002","10.59","0.002","9.189","0.002","90","","109.37","0.03","90","","766.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium scandium hydrogen arsenate","potassium scandium hydrogen arsenate(V)","","- As2 H2 K O8 Sc -","- As2 H2 K O8 Sc -","- As8 H8 K4 O32 Sc4 -","4","0.5","BC1052","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. I. The framework structures of KSc(HAsO~4~)~2~ and RbScAs~2~O~7~","Acta Crystallographica Section C","2004","60","9","i79","i83","10.1107/S0108270104015938","","","0.71073","MoKα","","0.015","0.0142","","","0.0388","0.0391","","","","","","1.157","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014101","7.837","0.002","10.625","0.002","8.778","0.002","90","","106.45","0.03","90","","701","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rubidium scandium diarsenate","rubidium scandium diarsenate(V)","","- As2 O7 Rb Sc -","- As2 O7 Rb Sc -","- As8 O28 Rb4 Sc4 -","4","1","BC1052","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. I. The framework structures of KSc(HAsO~4~)~2~ and RbScAs~2~O~7~","Acta Crystallographica Section C","2004","60","9","i79","i83","10.1107/S0108270104015938","","","0.71073","MoKα","","0.0326","0.0232","","","0.0515","0.054","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014102","7.52","0.002","9.39","0.002","10.05","0.002","65.48","0.03","70.66","0.03","70.1","0.03","592","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","caesium scandium hydrogen arsenate","caesium scandium hydrogen arsenate(V)","","- As2 Cs H2 O8 Sc -","- As2 Cs H2 O8 Sc -","- As6 Cs3 H6 O24 Sc3 -","3","1.5","BC1053","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. II. The framework structures of α- and β-CsSc(HAsO~4~)~2~","Acta Crystallographica Section C","2004","60","9","i84","i88","10.1107/S010827010401594X","","","0.71073","MoKα","","0.0283","0.0233","","","0.0551","0.057","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014103","5.546","0.001","9.375","0.002","15.034","0.003","90","","95.16","0.03","90","","778.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","caesium scandium hydrogen arsenate","caesium scandium hydrogen arsenate(V)","","- As2 Cs H2 O8 Sc -","- As2 Cs H2 O8 Sc -","- As8 Cs4 H8 O32 Sc4 -","4","1","BC1053","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. II. The framework structures of α- and β-CsSc(HAsO~4~)~2~","Acta Crystallographica Section C","2004","60","9","i84","i88","10.1107/S010827010401594X","","","0.71073","MoKα","","0.0414","0.0353","","","0.0833","0.0852","","","","","","1.18","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014104","10.938","0.002","11.464","0.002","22.038","0.004","90","","90","","90","","2763.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cerium chromate hydrate","dicerium(IV) tetrachromate(VI) dihydrate","","- Ce2 Cr4 H4 O18 -","- Ce2 Cr4 H4 O18 -","- Ce16 Cr32 H32 O144 -","8","1","BC1054","Kolitsch, Uwe; Schwendtner, Karolina","A new chromate of tetravalent cerium: Ce~2~(CrO~4~)~4~·2H~2~O","Acta Crystallographica Section C","2004","60","9","i89","i90","10.1107/S0108270104017275","","","0.71073","MoKα","","0.0212","0.0176","","","0.0431","0.0442","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014105","8.3331","0.0012","14.695","0.002","9.2384","0.0013","90","","106.619","0.003","90","","1084","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5,6,7,8,13,14-hexahydrobis[1,2,5]oxadiazolo[3,4-b:3',4'-f] [1,8,4,5]dioxadiazacyclododecine","6,9,14,17-tetraoxa-2,3,5,7,16,18-hexaazatricyclo[13.3.0.0^4,8^]octadeca- 4,7,15,18-tetraene","","- C8 H10 N6 O4 -","- C8 H10 N6 O4 -","- C32 H40 N24 O16 -","4","1","BM1564","Averkiev, Boris B.; Timofeeva, Tatiana V.; Sheremetev, Aleksey B.; Shatunova, Elena V.; Antipin, Mikhail Yu.","Difurazano[3,4-<i>b</i>:3',4'-<i>f</i>]-4,5-diaza-1,8-dioxacyclododecine and an acyclic analogue","Acta Crystallographica Section C","2004","60","7","o520","o523","10.1107/S0108270104007541","","","0.71073","MoKα","","0.0616","0.0557","","","0.1592","0.1713","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014106","31.363","0.006","6.055","0.0012","15.724","0.003","90","","98.34","0.03","90","","2954.5","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-[2-(2-{2-[(4-amino-1,2,5-oxadiazol-3-yl)oxy]ethoxy}ethoxy)ethoxy]- 1,2,5-oxadiazol-3-amine","1,8-bis(5-aminofurazan-4-yloxy)-3,6-dioxaoctane","","- C10 H16 N6 O6 -","- C10 H16 N6 O6 -","- C80 H128 N48 O48 -","8","1","BM1564","Averkiev, Boris B.; Timofeeva, Tatiana V.; Sheremetev, Aleksey B.; Shatunova, Elena V.; Antipin, Mikhail Yu.","Difurazano[3,4-<i>b</i>:3',4'-<i>f</i>]-4,5-diaza-1,8-dioxacyclododecine and an acyclic analogue","Acta Crystallographica Section C","2004","60","7","o520","o523","10.1107/S0108270104007541","","","0.71073","MoKα","","0.064","0.0356","","","0.096","0.1092","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014107","21.6096","0.0008","7.216","0.0002","17.6529","0.0006","90","","90","","90","","2752.7","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H28 Cu2 N4 O8 -","- C28 H28 Cu2 N4 O8 -","- C112 H112 Cu8 N16 O32 -","4","0.5","BM1570","Yi-Hang Wen; Ye-Yan Qin; Jian Zhang; Zhao-Ji Li; Jian-Kai Cheng; Yao Kang; Yuan-Gen Yao","<i>catena</i>-Poly[[[aquacopper(I)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'] hemi(isophthalate) monohydrate]","Acta Crystallographica Section C","2004","60","8","m371","m372","10.1107/S0108270104014106","","","0.71073","MoKα","","0.0976","0.0586","","","0.139","0.164","","","","","","1.11","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2014108","7.2167","0.0006","14.6054","0.0014","8.499","0.0008","90","","98.716","0.005","90","","885.47","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(chloromethyl)pyridinium chloride","","- C7 H8 Cl3 N -","- C7 H8 Cl3 N -","- C28 H32 Cl12 N4 -","4","1","BM1577","Lozano, Virginia; Jones, Peter G.","Secondary interactions in the isomorphous compounds 2,6-bis(chloromethyl)pyridinium chloride and 2,6-bis(bromomethyl)pyridinium bromide","Acta Crystallographica Section C","2004","60","9","o653","o655","10.1107/S0108270104017007","","","0.71073","MoKα","","0.0454","0.031","","","0.0754","0.0807","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014109","7.4633","0.0006","15.0136","0.0012","8.7377","0.0006","90","","99.146","0.004","90","","966.62","0.13","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(bromomethyl)pyridinium bromide","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C28 H32 Br12 N4 -","4","1","BM1577","Lozano, Virginia; Jones, Peter G.","Secondary interactions in the isomorphous compounds 2,6-bis(chloromethyl)pyridinium chloride and 2,6-bis(bromomethyl)pyridinium bromide","Acta Crystallographica Section C","2004","60","9","o653","o655","10.1107/S0108270104017007","","","0.71073","MoKα","","0.0269","0.022","","","0.0549","0.0573","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014110","9.852","0.006","16.268","0.009","9.512","0.006","90","","119.904","0.006","90","","1321.5","1.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-chloro-N-[4-(dimethylamino)benzylidene]aniline","","- C15 H15 Cl N2 -","- C15 H15 Cl N2 -","- C60 H60 Cl4 N8 -","4","1","DE1245","Xiu-Li You; Cheng-Rong Lu; Yong Zhang; De-Chun Zhang","C—H···π, π‒π and C—H···Cl interactions in chloro-substituted Schiff bases and 4-chloro-<i>N</i>-[4-(dimethylamino)benzylidene]aniline","Acta Crystallographica Section C","2004","60","9","o693","o695","10.1107/S0108270104017871","","","0.7107","MoKα","","0.0603","0.0555","","","0.1401","0.1433","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014111","15.6","0.003","14.235","0.003","5.8621","0.0011","90","","92.029","0.004","90","","1301","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methyl-4'-bromo-chalcone","1-(4-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","DE1246","Wang, Lei; Zhang, Yong; Lu, Cheng-Rong; Zhang, De-Chun","1-(4-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section C","2004","60","9","o696","o698","10.1107/S0108270104017883","","","0.7107","MoKα","","0.0477","0.0429","","","0.0896","0.0912","","","","","","1.242","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014112","7.882","0.002","12.05","0.003","12.602","0.004","90","","99.273","0.005","90","","1181.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylpiperazine-1,4-diium 4-nitrophthalate(2-) 4-nitrophthalic acid monohydrate","","- C21 H24 N4 O13 -","- C21 H24 N4 O13 -","- C42 H48 N8 O26 -","2","1","DE1248","Guo Ming-Lin","1-Methylpiperazine-1,4-diium 4-nitrophthalate(2‒) 4-nitrophthalic acid monohydrate","Acta Crystallographica Section C","2004","60","9","o690","o692","10.1107/S0108270104018207","","","0.71073","MoKα","","0.0483","0.0366","","","0.0818","0.0904","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014113","8.184","0.005","19.786","0.011","12.884","0.007","90","","96.994","0.01","90","","2071","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[1(E)-(4-methoxyphenyl)methylene]amino}-N-(3-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","DE1249","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2004","60","9","o636","o638","10.1107/S0108270104016014","","","0.71073","MoKa","","0.0469","0.0394","","","0.1103","0.1193","","","","","","0.825","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014114","7.658","0.007","12.365","0.011","12.569","0.011","108.49","0.013","103.745","0.014","106.02","0.013","1013.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-methylphenyl)-2-{[1(E)-(4-methylphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C24 H24 N2 O S -","- C24 H24 N2 O S -","- C48 H48 N4 O2 S2 -","2","1","DE1249","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2004","60","9","o636","o638","10.1107/S0108270104016014","","","0.71073","MoKα","","0.0672","0.0565","","","0.1761","0.1922","","","","","","0.868","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014115","10.589","0.002","17.537","0.003","11.686","0.002","90","","100.954","0.003","90","","2130.5","0.7","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diacetato-κ^2^O-bis[(S)-1-(1-aminoethyl)-4-fluorophenyl-κN]palladium(II)","","- C20 H26 F2 N2 O4 Pd -","- C20 H26 F2 N2 O4 Pd -","- C80 H104 F8 N8 O16 Pd4 -","4","2","DN1048","Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli","Diacetato-κ^2^<i>O</i>-bis[(<i>S</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>]palladium(II) and di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[(<i>S</i>)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} benzene hemisolvate","Acta Crystallographica Section C","2004","60","7","m320","m323","10.1107/S0108270104010856","","","0.71073","MoKα","","0.0225","0.0223","","","0.0607","0.0608","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014116","22.504","0.005","9.1632","0.0019","12.279","0.003","90","","109.131","0.004","90","","2392.2","0.9","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","di-μ-acetato-κ^4^O:O'-bis{[(S)-1-(1-aminoethyl)-4-fluorophenyl- k^2^C^2^,N]palladium(II)} benzene hemisolvate","","- C23 H27 F2 N2 O4 Pd2 -","- C23 H27 F2 N2 O4 Pd2 -","- C92 H108 F8 N8 O16 Pd8 -","4","1","DN1048","Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli","Diacetato-κ^2^<i>O</i>-bis[(<i>S</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>]palladium(II) and di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[(<i>S</i>)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} benzene hemisolvate","Acta Crystallographica Section C","2004","60","7","m320","m323","10.1107/S0108270104010856","","","0.71073","MoKα","","0.042","0.0359","","","0.0685","0.0704","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014117","5.1173","0.0007","8.561","0.002","10.309","0.001","90","","94.63","0.01","90","","450.16","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","lithium molybdyl arsenate","β-LiMoO~2~AsO~4~","","- As2 Li2 Mo2 O12 -","- As Li Mo O6 -","- As4 Li4 Mo4 O24 -","4","2","DN1050","Hajji, Mounir; Zid, Mohamed Faouzi; Driss, Ahmed; Jouini, Tahar","β-LiMoO~2~(AsO~4~)","Acta Crystallographica Section C","2004","60","8","i76","i78","10.1107/S0108270104013162","","","0.71073","MoKα","","0.0274","0.0252","","","0.0629","0.0637","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014118","10.7716","0.0012","7.0104","0.0007","15.5546","0.0014","90","","90","","90","","1174.6","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","2-(6-bromo-pyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane","6a-(6-bromopyridin-2-yl)-3a-methyl-2,3,4,5-tetrahydro1,6-dioxa-3a-aza-6a- borapentalene","","- C10 H14 B Br N2 O2 -","- C10 H14 B Br N2 O2 -","- C40 H56 B4 Br4 N8 O8 -","4","1","DN1051","Sopková-de Oliveira Santos, Jana; Bouillon, Alexandre; Lancelot, Jean-Charles; Rault, Sylvain","2-(6-Bromopyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane, a new stable (pyridin-2-yl)boronic acid derivative","Acta Crystallographica Section C","2004","60","8","o582","o584","10.1107/S0108270104014520","","","0.71073","MoKα","","0.0706","0.0492","","","0.131","0.1442","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014119","11.734","0.003","10.566","0.002","13.418","0.003","90","","111.44","0.01","90","","1548.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(ethyl-acetoacetate)ethylenediimine","Diethyl 3,8-dimethyl-4,7-diazadec-2,8-dienedioate","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","0.5","DN1052","Jin, Zhi-Min; Li, Li; Li, Mei-Chao; Hu, Mao-Lin; Shen, Liang","Diethyl 3,8-dimethyl-4,7-diazadeca-2,8-dienedioate","Acta Crystallographica Section C","2004","60","9","o642","o643","10.1107/S0108270104016130","","","0.71073","MoKα","","0.0779","0.047","","","0.1037","0.1123","","","","","","0.914","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014120","11.007","0.001","13.061","0.001","24.298","0.001","90","","112.652","0.005","90","","3223.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-methyl-1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C136 H128 N16 O16 S8 -","8","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0473","0.0398","","","0.1119","0.1182","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014121","19.479","0.001","5.61","0.001","33.586","0.003","90","","90","","90","","3670.2","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","ethyl 1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole-3-carboxylate","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C152 H144 N16 O32 S8 -","8","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0925","0.0378","","","0.0837","0.102","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014122","10.325","0.002","13.874","0.002","18.094","0.002","100.823","0.009","104.704","0.008","91.888","0.011","2453.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[4-(methylsulfonyl)phenyl]-3-[3-(morpholino)phenoxymethyl]-5-phenyl-1H- pyrazole","","- C27 H27 N3 O4 S -","- C27 H27 N3 O4 S -","- C108 H108 N12 O16 S4 -","4","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0672","0.0561","","","0.1565","0.1681","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014123","7.768","0.002","8.75","0.002","12.703","0.002","89.01","0.01","81.59","0.02","68.05","0.01","791.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7-methoxy-2-[3-(trifluoromethyl)phenyl]-9H-indeno[1,2-c]pyridazin-9-one","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C38 H22 F6 N4 O4 -","2","1","DN1056","Frédérick, Raphaël; Norberg, Bernadette; Durant, François; Ooms, Frederic; Wouters, Johan","Three 5<i>H</i>-indeno[1,2-<i>c</i>]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors","Acta Crystallographica Section C","2004","60","9","o623","o626","10.1107/S0108270104014660","","","1.54178","CuKα","","0.0593","0.048","","","0.1293","0.1392","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014124","10.306","0.001","10.798","0.001","14.986","0.001","73.453","0.006","79.592","0.007","89.422","0.007","1570.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-methoxy-2-[3-(trifluoromethyl)phenyl]-9H-indeno[1,2-c]pyridazin-9-one","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C76 H44 F12 N8 O8 -","4","2","DN1056","Frédérick, Raphaël; Norberg, Bernadette; Durant, François; Ooms, Frederic; Wouters, Johan","Three 5<i>H</i>-indeno[1,2-<i>c</i>]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors","Acta Crystallographica Section C","2004","60","9","o623","o626","10.1107/S0108270104014660","","","1.54178","CuKα","","0.0901","0.0481","","","0.1259","0.1468","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014125","4.918","0.002","11.978","0.006","24.659","0.005","90","","96.65","0.02","90","","1442.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-6-(4,4,4-trifluorobutoxy)-9H-indeno[1,2-c]pyridazin-9-one","","- C16 H13 F3 N2 O2 -","- C16 H13 F3 N2 O2 -","- C64 H52 F12 N8 O8 -","4","1","DN1056","Frédérick, Raphaël; Norberg, Bernadette; Durant, François; Ooms, Frederic; Wouters, Johan","Three 5<i>H</i>-indeno[1,2-<i>c</i>]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors","Acta Crystallographica Section C","2004","60","9","o623","o626","10.1107/S0108270104014660","","","1.54178","CuKα","","0.1852","0.0676","","","0.1861","0.2486","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014126","10.1418","0.0005","11.3396","0.0006","11.9874","0.0006","97.422","0.001","104.139","0.001","108.644","0.001","1234.03","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(2-nitrobenzoato-kO)(1,10-phenanthroline-k^2^N,N')zinc(II)","","- C26 H18 N4 O9 Zn -","- C26 H18 N4 O9 Zn -","- C52 H36 N8 O18 Zn2 -","2","1","DN1058","Kou-Lin Zhang; Jian-Guo Lin; Ya-Qiong Wang; Wen-Lin Xu; Jiu-Tong Chen","Aquabis(2-nitrobenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section C","2004","60","9","m454","m456","10.1107/S0108270104018165","","","0.71073","MoKα","","0.0529","0.044","","","0.0981","0.1049","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014127","10.1039","0.001","11.3131","0.0016","17.4278","0.0019","90","","105.314","0.009","90","","1921.4","0.4","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena(Bromo-ω-thiocaprolactam-gold(I))","catena-Poly[bromo(ω-thiocaprolactam-κS)gold(I)](Au—Au)","","- C6 H11 Au Br N S -","- C6 H11 Au Br N S -","- C48 H88 Au8 Br8 N8 S8 -","8","2","FA1058","Núñez Gaytán, María-Elena; Bernès, Sylvain; Rodríguez de San Miguel, Eduardo; De Gyves, Josefina","<i>catena</i>-Poly[bromo(ω-thiocaprolactam-κ<i>S</i>)gold(I)](<i>Au{—</i>Au})","Acta Crystallographica Section C","2004","60","8","m414","m417","10.1107/S0108270104014532","","","0.71073","Mo-Kα","","0.0693","0.043","","","0.0937","0.1062","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014128","9.3078","0.0019","10.329","0.002","12.898","0.003","93.51","0.03","105.33","0.03","100.75","0.03","1166.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Carbonyl(5-nitrotropolonato-κ^2^O^1^,O^2^)(triphenylphosphine-κP)rhodium(I)","","- C26 H19 N O5 P Rh -","- C26 H19 N O5 P Rh -","- C52 H38 N2 O10 P2 Rh2 -","2","1","FA1061","Steyl, Gideon; Roodt, Andreas","Carbonyl(5-nitrotropolonato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(triphenylphosphine-κ<i>P</i>)rhodium(I)","Acta Crystallographica Section C","2004","60","7","m324","m326","10.1107/S0108270104011102","","","0.71069","MoKα","","0.095","0.0485","","","0.0912","0.1069","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014129","8.4478","0.0007","8.8751","0.0007","12.3854","0.0009","81.56","0.006","72.655","0.006","64.257","0.006","798.24","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(pyridine-2-carboxamide-κ^2^N^1^,O^2^)nickel(II) disaccharinate tetrahydrate","","- C26 H32 N6 Ni O14 S2 -","- C26 H32 N6 Ni O14 S2 -","- C26 H32 N6 Ni O14 S2 -","1","0.5","FA1063","Paşaoğlu, Hümeyra; Tezcan, Fatma; Yeşilel, Okan Z.; ölmez, Halis; Içbudak, Hasan; Büyükgüngör, Orhan","Diaquabis(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II) disaccharinate tetrahydrate","Acta Crystallographica Section C","2004","60","7","m335","m337","10.1107/S0108270104012648","","","0.71073","MoKα","","0.0463","0.0344","","","0.088","0.0915","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014130","9.135","0.005","10.972","0.005","11.968","0.005","71.537","0.005","70.118","0.005","86.582","0.005","1068.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H31 Cd N2 O11 -","- C16 H31 Cd N2 O11 -","- C32 H62 Cd2 N4 O22 -","2","1","FA1064","Uçar, İbrahim; Yeşilel, Okan Zafer; Bulut, Ahmet; İçbudak, Hasan; Ölmez, Halis; Kazak, Canan","A capped trigonal prismatic cadmium complex with tetra- and tridentate ligands: bis(triethanolamine)-κ^3^<i>N</i>,<i>O</i>,<i>O</i>';κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>''-cadmium(II) squarate monohydrate","Acta Crystallographica Section C","2004","60","8","m392","m394","10.1107/S0108270104013174","","","0.71069","MoKα","","0.0516","0.044","","","0.1157","0.1179","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014131","7.79","0.002","9.971","0.002","10.832","0.002","72.59","0.03","74.79","0.03","75.64","0.03","761.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (E)-3-(2-hydroxyphenyl)-2-(morpholinocarbonyl)propenoate","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","FA1065","Juana E. Pérez-Vargas; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez; Herbert Höpfl; Efrén V. García-Báez","Ethyl (<i>E</i>)-3-(2-hydroxyphenyl)-2-(morpholinocarbonyl)propenoate","Acta Crystallographica Section C","2004","60","7","o517","o519","10.1107/S0108270104012806","","","0.71073","MoKα","","0.0914","0.0475","","","0.0939","0.1041","","","","","","1.014","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014132","8.3891","0.0007","13.894","0.0008","14.553","0.0012","90","","94.025","0.007","90","","1692.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 N6 Ni O2 S2 -","- C10 H24 N6 Ni O2 S2 -","- C40 H96 N24 Ni4 O8 S8 -","4","1","FA1069","Karadag, Ahmet; Bulut, Ahmet; Büyükgüngör, Orhan","<i>trans</i>-Bis[<i>N</i>-(2-hydroxyethyl)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']bis(isothiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2004","60","8","m402","m404","10.1107/S010827010401488X","","","0.71073","MoKα","","0.0624","0.0314","","","0.0716","0.077","","","","","","0.939","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014133","13.0945","0.0003","16.5699","0.0003","13.1869","0.0002","90","","96.488","0.001","90","","2842.9","0.09","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amidobis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]titanium","Amidobis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]titanium(III)","","- C22 H44 N Si4 Ti -","- C22 H44 N Si4 Ti -","- C88 H176 N4 Si16 Ti4 -","4","1","FA1076","Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Amidobis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]titanium(III)","Acta Crystallographica Section C","2004","60","9","m465","m466","10.1107/S0108270104018840","","","0.71073","MoKα","","0.0828","0.054","","","0.1","0.1132","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014134","7.981","0.003","11.388","0.003","12.497","0.003","117.065","0.003","100.394","0.01","94.856","0.003","976.6","0.5","293","","293","2","","","","","","","","3","P -1","-P 1","2","Tetrahydrocurcumin","1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","1","FG1755","Girija, C. R.; Begum, Noor Shahina; Syed, Akheel Ahmed; Thiruvenkatam, Vijay","Hydrogen-bonding and C—H···π interactions in 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione (tetrahydrocurcumin)","Acta Crystallographica Section C","2004","60","8","o611","o613","10.1107/S0108270104015549","","","0.71073","MoKa","","0.0632","0.0554","","","0.1617","0.1709","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014135","9.256","0.006","10.939","0.007","15.169","0.009","90","","97.75","0.01","90","","1521.9","1.7","100","0.2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indole","","- C20 H18 F N -","- C20 H18 F N -","- C80 H72 F4 N4 -","4","1","FG1756","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","Crystal engineering <i>via</i> C—H···F and C—H···π interactions in two substituted indoles","Acta Crystallographica Section C","2004","60","9","o644","o647","10.1107/S0108270104016865","","","0.71073","MoKα","","0.0463","0.0381","","","0.092","0.097","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014136","9.273","0.002","10.786","0.002","10.936","0.002","61.647","0.003","65.525","0.003","69.21","0.003","858.8","0.3","100","0.2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole","","- C22 H22 F N -","- C22 H22 F N -","- C44 H44 F2 N2 -","2","1","FG1756","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","Crystal engineering <i>via</i> C—H···F and C—H···π interactions in two substituted indoles","Acta Crystallographica Section C","2004","60","9","o644","o647","10.1107/S0108270104016865","","","0.71073","MoKα","","0.0406","0.0377","","","0.0943","0.0966","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014137","12.856","0.001","15.689","0.001","10.727","0.001","90","","100.27","0.01","90","","2128.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9- diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","","- C22 H18 Cl2 N2 O4 S -","- C22 H18 Cl2 N2 O4 S -","- C88 H72 Cl8 N8 O16 S4 -","4","1","FG1757","Bortoluzzi, Adailton J.; Andrade, Evilazio S.; Nunes, Ricardo J.","4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione and 4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","Acta Crystallographica Section C","2004","60","8","o614","o616","10.1107/S0108270104015550","","","0.71069","MoKα","","0.1181","0.0491","","","0.1158","0.1367","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014138","8.975","0.002","10.167","0.005","12.876","0.001","105.06","0.02","109.89","0.02","100.97","0.03","1015.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9- diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","","- C22 H19 Cl N2 O4 S -","- C22 H19 Cl N2 O4 S -","- C44 H38 Cl2 N4 O8 S2 -","2","1","FG1757","Bortoluzzi, Adailton J.; Andrade, Evilazio S.; Nunes, Ricardo J.","4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione and 4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","Acta Crystallographica Section C","2004","60","8","o614","o616","10.1107/S0108270104015550","","","0.71069","MoKα","","0.0495","0.0355","","","0.0911","0.0973","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014139","10.1655","0.0005","15.156","0.0007","13.8914","0.0006","90","","108.302","0.002","90","","2031.96","0.16","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5- sulfonatoisophthalato] monohydrate]","","- C40 H30 La2 N4 O18 S2 -","- C40 H30 La2 N4 O18 S2 -","- C80 H60 La4 N8 O36 S4 -","2","0.5","FG1760","Hu, Mao-Lin; Miao, Qian; Shi, Qian; Ye, Ming-De","Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5-sulfonatoisophthalato] monohydrate] and poly[[[triaqualanthanum(III)]-μ-5-sulfonatoisophthalato] monohydrate]","Acta Crystallographica Section C","2004","60","9","m460","m464","10.1107/S0108270104018645","","","0.71073","MoKα","","0.0449","0.0425","","","0.1054","0.1146","","","","","","1.397","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014140","7.9902","0.0002","15.4229","0.0004","10.5753","0.0002","90","","92.606","0.001","90","","1301.87","0.05","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[triaqualanthanum(III)-μ-5-sulfonatoisophthalato] monohydrate]","","- C8 H11 La O11 S -","- C8 H11 La O11 S -","- C32 H44 La4 O44 S4 -","4","1","FG1760","Hu, Mao-Lin; Miao, Qian; Shi, Qian; Ye, Ming-De","Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5-sulfonatoisophthalato] monohydrate] and poly[[[triaqualanthanum(III)]-μ-5-sulfonatoisophthalato] monohydrate]","Acta Crystallographica Section C","2004","60","9","m460","m464","10.1107/S0108270104018645","","","0.71073","MoKα","","0.0185","0.0179","","","0.0463","0.0467","","","","","","1.146","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014141","11.0484","0.0017","11.3415","0.0018","25.919","0.004","82.62","0.003","86.414","0.003","82.697","0.003","3191.2","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis(η^5^-cyclopentadienyl)[rel-(1R,5S,7R,14S)-(1,3,5,7,9,11,14- heptacyclopentyl-7,14-dihydroxytricyclo[7.3.3.0^15,11^]heptasiloxan-3- yl)bis(pentafluorophenyl)borinato(2-)]zirconium","","- C57 H73 B F10 O12 Si7 Zr -","- C57 H73 B F10 O12 Si7 Zr -","- C114 H146 B2 F20 O24 Si14 Zr2 -","2","1","FR1472","Garrison, Jered C.; Kim, Hoon; Collins, Scott; Youngs, Wiley J.","A fluorophenylboron-functionalized zirconium silsesquioxane complex","Acta Crystallographica Section C","2004","60","7","m357","m359","10.1107/S0108270104012296","","","0.71073","MoKα","","0.1154","0.0686","","","0.1382","0.16","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014142","36.228","0.003","5.5729","0.0006","8.9677","0.0007","90","","96.205","0.009","90","","1799.9","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Dibenzyl-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-s-indacene","N,N'-di-N-benzylbispyrrolidino[3,4-5,6]pyrazine","","- C22 H22 N4 -","- C22 H22 N4 -","- C88 H88 N16 -","4","1","FR1478","Gilles Gasser; Helen Stoeckli-Evans","2,6-Dibenzyl-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene and 2,6-bis(4-methoxybenzyl)-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene","Acta Crystallographica Section C","2004","60","7","o514","o516","10.1107/S0108270104009485","","","0.71069","MoKα","","0.1132","0.0683","","","0.1672","0.1812","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014143","20.852","0.002","5.6574","0.0005","8.6905","0.0009","90","","94.4","0.013","90","","1022.18","0.17","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-bis(4-methoxybenzyl)-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-s-indacene","N,N'-di-4'-methoxybenzylbispyrrolidino[2,3-5,6]pyrazine","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C48 H52 N8 O4 -","2","0.5","FR1478","Gilles Gasser; Helen Stoeckli-Evans","2,6-Dibenzyl-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene and 2,6-bis(4-methoxybenzyl)-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene","Acta Crystallographica Section C","2004","60","7","o514","o516","10.1107/S0108270104009485","","","0.71073","MoKα","","0.0656","0.0304","","","0.0638","0.0708","","","","","","0.812","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014144","10.4012","0.0015","4.9254","0.0007","19.162","0.003","90","","102.484","0.003","90","","958.5","0.2","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-aminopyridinium‒fumarate‒fumaric acid (2/1/1)","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C36 H40 N8 O16 -","2","0.5","FR1480","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Lönnecke, Peter","2-Aminopyridinium‒fumarate‒fumaric acid (2/1/1)","Acta Crystallographica Section C","2004","60","7","o470","o472","10.1107/S0108270104010546","","","0.71073","MoKα","","0.0489","0.0423","","","0.1081","0.1122","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014145","6.1497","0.0007","14.6894","0.0019","16.922","0.002","90","","92.6","0.01","90","","1527.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(Benzofuran-2-yl)(3-methyl-3-phenylcyclobutyl)methanone","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","FR1482","Yüksektepe, Çiĝdem; Saraçoĝlu, Hanife; Koca, Murat; Çukurovali, Alaaddin; Çalıs̨kan, Nezihe","(Benzofuran-2-yl)(3-methyl-3-phenylcyclobutyl)methanone","Acta Crystallographica Section C","2004","60","7","o509","o510","10.1107/S0108270104012302","","","0.71073","MoKα","","0.0724","0.0412","","","0.0908","0.0983","","","","","","0.828","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014146","20.031","0.0004","10.2199","0.0002","20.0399","0.0003","90","","96.303","0.002","90","","4077.67","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Biphenyl-2,2'-dithiolato-κ^2^S:S'bis[(triphenylphosphine-κP)gold(I)]","","- C48 H38 Au2 P2 S2 -","- C48 H38 Au2 P2 S2 -","- C192 H152 Au8 P8 S8 -","4","1","FR1487","Scott A. Larkin; Jeanette A. Krause Bauer; V. E. Konoplev; Victor P. Dyadchenko; Dmitrii A. Lemenovskii; Mitchell R. M. Bruce; Alice E. Bruce","μ-Biphenyl-2,2'-dithiolato-κ^2^<i>S</i>:<i>S</i>'-bis[(triphenylphosphine-κ<i>P</i>)gold(I)]","Acta Crystallographica Section C","2004","60","9","m440","m442","10.1107/S0108270104016099","","","0.71073","MoKα","","0.0708","0.0365","","","0.0621","0.071","","","","","","1.001","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014147","10.385","0.006","18.024","0.004","14.229","0.005","90","","102.05","0.05","90","","2604.7","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[N,N-Bis(2-hydroxyimino-2-phenylethyl)amino]-2,3-dimethyl-2-phenyl- 2,3-dihydropyrazol-3-one monohydrate","","- C27 H29 N5 O4 -","- C27 H29 N5 O4 -","- C108 H116 N20 O16 -","4","1","FR1488","S̨engül, Abdurrahman; Karadayı, Nevzat","4-[<i>N</i>,<i>N</i>-Bis(2-hydroxyimino-2-phenylethyl)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one monohydrate","Acta Crystallographica Section C","2004","60","8","o539","o541","10.1107/S0108270104012314","","","0.71073","MoKα","","0.0928","0.0552","","","0.1326","0.1551","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014148","10.322","0.001","14.239","0.001","14.138","0.001","90","","110.254","0.004","90","","1949.4","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rel-(1R,4aR,9S,9aS,10R)-4a,9,9a,10-tetrahydro-9,10-diphenylspiro[9,10- epoxyanthracene-1(4H),2'-oxiran]-4‒one","","- C27 H20 O3 -","- C27 H20 O3 -","- C108 H80 O12 -","4","1","FR1490","Gallucci, Judith C.; Tamura, Yukiko; Paquette, Leo A.","Preference for the Diels‒Alder addition of dienes <i>syn</i> to the O atom in cross-conjugated spirocyclic cyclohexadienones","Acta Crystallographica Section C","2004","60","9","o656","o658","10.1107/S0108270104015951","","","0.71073","MoKα","","0.0611","0.0436","","","0.1092","0.1178","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014149","8.434","0.001","13.586","0.001","17.597","0.002","90","","90.646","0.004","90","","2016.2","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rel-(1R,4aS,9R,9aS,10S)-4a,9,9a,10-tetrahydro-9,10-diphenyl- spiro[9,10-epoxyanthracene-1(4H),2'-oxetane]-4-one","","- C28 H22 O3 -","- C28 H22 O3 -","- C112 H88 O12 -","4","1","FR1490","Gallucci, Judith C.; Tamura, Yukiko; Paquette, Leo A.","Preference for the Diels‒Alder addition of dienes <i>syn</i> to the O atom in cross-conjugated spirocyclic cyclohexadienones","Acta Crystallographica Section C","2004","60","9","o656","o658","10.1107/S0108270104015951","","","0.71073","MoKα","","0.0584","0.041","","","0.1037","0.1123","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014150","10.1077","0.0005","20.0087","0.0011","14.302","0.0008","90","","99.483","0.001","90","","2852.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","fac-(CO)~3~((4,4'-dimethyl-2,2'-bpy)rhenium(I)Ph~3~tin(II)","fac-tricarbonyl-2κ^3^C-(4,4'-dimethyl-2,2'-bipyridine)-2κ^2^N,N'-triphenyl- 1κ^3^C^1^-tin(II)rhenium(I)(Sn—Re)","","- C33 H27 N2 O3 Re Sn -","- C33 H27 N2 O3 Re Sn -","- C132 H108 N8 O12 Re4 Sn4 -","4","1","FR1491","Gibson, Dorothy H.; Mashuta, Mark S.; Yin, Xiao-Long","<i>fac</i>-Tricarbonyl(4,4'-dimethyl-2,2'-bipyridine)triphenyltin(II)rhenium(I)","Acta Crystallographica Section C","2004","60","8","m366","m367","10.1107/S0108270104013836","","","0.71073","MoKα","","0.0162","0.015","","","0.0385","0.0388","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014151","8.841","0.002","7.746","0.001","16.326","0.003","90","","98.092","0.002","90","","1106.9","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Bis(acetoxy)curcumin","4-[7-(4-Acetoxy-3-methoxyphenyl)-5-hydroxy-3-oxohepta-1,4,6-trienyl]-2- methoxyphenyl acetate","","- C25 H24 O8 -","- C25 H24 O8 -","- C50 H48 O16 -","2","1","FR1497","Mague, Joel T.; Alworth, William L.; Payton, Florastina L.","Curcumin and derivatives","Acta Crystallographica Section C","2004","60","8","o608","o610","10.1107/S0108270104015434","","","0.71073","MoKα","","0.0614","0.0461","","","0.1068","0.1131","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014152","8.897","0.003","9.003","0.003","14.577","0.005","90","","90","","90","","1167.6","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-bromomethyl-3-ethyl-1,4-dioxo-tetrahydro-pyrrolo[2,1-c][1,4]oxazine","","- C10 H14 Br N O3 -","- C10 H14 Br N O3 -","- C40 H56 Br4 N4 O12 -","4","1","GA1049","Yun-Yan, Kuang; Ming, Huo; Fen-Er, Chen","3-Bromomethyl-3-ethyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]oxazine-1,4-dione","Acta Crystallographica Section C","2004","60","7","o505","o506","10.1107/S010827010401131X","","","0.71073","MoKα","","0.0387","0.0297","","","0.0659","0.0692","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014153","8.198","0.002","9.303","0.002","22.644","0.005","90","","90","","90","","1727","0.7","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Amino-3-methoxypyrimidino[5',4':16,17]oestra-1,3,5(10),16-tetraene","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C84 H100 N12 O4 -","4","1","GA1051","Matsumoto, Tomohiro; Matsumoto, Taisuke; Watanabe, Masataka; Mataka, Shuntaro; Thiemann, Thies","2'-Amino-3-methoxypyrimidino[5',4':16,17]estra-1,3,5(10),16-tetraene","Acta Crystallographica Section C","2004","60","7","o501","o502","10.1107/S0108270104012326","","","0.7107","MoKα","","","0.041","","","","0.112","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014154","8.929","0.002","10.022","0.003","19.651","0.009","90","","90","","90","","1758.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","GA1054","Lazar, Dušan; Klisurić, Olivera; Stanković, Slobodanka; Penov-Gaši, Katarina; Djurendić, Evgenija; Kovačević, Radmila","Structure‒activity relationships in 4- and 5-androstene: 3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile and 17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","Acta Crystallographica Section C","2004","60","9","o671","o673","10.1107/S0108270104017457","","","1.5418","CuKα","","0.0473","0.0363","","","0.1074","0.1191","","","","","","0.908","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014155","5.946","0.002","16.12","0.002","20.746","0.003","90","","90","","90","","1988.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","GA1054","Lazar, Dušan; Klisurić, Olivera; Stanković, Slobodanka; Penov-Gaši, Katarina; Djurendić, Evgenija; Kovačević, Radmila","Structure‒activity relationships in 4- and 5-androstene: 3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile and 17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","Acta Crystallographica Section C","2004","60","9","o671","o673","10.1107/S0108270104017457","","","1.5418","CuKα","","0.0774","0.0401","","","0.1096","0.1358","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014156","7.862","0.0003","12.6448","0.0005","14.0134","0.0002","90","","97.755","0.002","90","","1380.38","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[diaqua(nicotinato-κ^2^O,O')cadmium(II)]-μ-nicotinato-κ^3^N:O,O']","","- C12 H12 Cd N2 O6 -","- C12 H12 Cd N2 O6 -","- C48 H48 Cd4 N8 O24 -","4","1","GA1055","Jian Zhang; Zhao-Ji Li; Yi-Hang Wen; Yao Kang; Ye-Yan Qin; Yuan-Gen Yao","<i>catena</i>-Poly[[diaqua(nicotinato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-nicotinato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']","Acta Crystallographica Section C","2004","60","8","m389","m391","10.1107/S0108270104010558","","","0.71073","MoKα","","","0.0385","","","0.0984","0.1175","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014157","8.764","0.0004","12.109","0.0006","17.044","0.0008","90","","101.846","0.001","90","","1770.24","0.15","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[[(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ~3~- 5-hydroxyisophthalato-κ^4^O'O':O'':O'''] monohydrate]","","- C20 H14 N2 O6 Zn -","- C20 H14 N2 O6 Zn -","- C80 H56 N8 O24 Zn4 -","4","1","GA1056","Cao, Xin-Yi; Zhang, Jian; Kang, Yao; Cheng, Jian-Kai; Li, Zhao-Ji; Wang, Xiao-Qin; Wen, Yi-Hang; Yao, Yuan-Gen","Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''] monohydrate]","Acta Crystallographica Section C","2004","60","7","m350","m352","10.1107/S010827010401056X","","","0.71073","MoKα","","0.0766","0.0551","","","0.1381","0.1556","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014158","26.126","0.009","9.337","0.005","23.649","0.009","90","","122.48","0.05","90","","4867","5","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[N,N'-bis(diphenylmethylene)ethylenediamine-κ^2^N,N']copper(I) dichlorocuprate(I)","","- C56 H48 Cl2 Cu2 N4 -","- C56 H48 Cl2 Cu2 N4 -","- C224 H192 Cl8 Cu8 N16 -","4","0.5","GA1057","Mirkhani, Valiollah; Harkema, Sybolt; Kia, Reza","Bis[<i>N</i>,<i>N</i>'-bis(diphenylmethylene)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']copper(I) dichlorocuprate(I)","Acta Crystallographica Section C","2004","60","7","m343","m344","10.1107/S0108270104012338","","","1.54184","CuKα","","","0.053","","","0.068","0.137","","","","","","1.55","","","","has coordinates,has Fobs","191976","2020-10-21","18:00:00",""
"2014159","7.1667","0.0001","15.1733","0.0002","11.8894","0.0002","90","","92.976","0.001","90","","1291.14","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-Bis(thiomethyl)-1,2-dicarba-closo-dodecaborane(12)","1,2-Bis(thiomethyl)-1,2-dicarba-closo-dodecaborane(12)","","- C4 H16 B10 S2 -","- C4 H16 B10 S2 -","- C16 H64 B40 S8 -","4","1","GA1059","Laromaine, Anna; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko","1,2-Bis(methylsulfanyl)-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2004","60","7","o524","o526","10.1107/S0108270104013423","","","0.71073","Mokα","","0.0351","0.0321","","","0.0842","0.0863","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014160","6.4331","0.001","10.715","0.0015","12.299","0.002","75.054","0.012","82.12","0.012","77.258","0.011","796","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N^1^-(4-tert-Butylphenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","GA1061","Soylu, Serkan; Taş, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","<i>N</i>^1^-(4-<i>tert</i>-Butylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine and <i>N</i>^2^-hydroxy-<i>N</i>^1^-(4-nitrophenyl)-α-oxo-α-phenylacetamidine hemihydrate","Acta Crystallographica Section C","2004","60","9","o702","o704","10.1107/S0108270104017366","","","0.71073","MoKα","","0.1432","0.0612","","","0.0938","0.1141","","","","","","0.951","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014161","6.8298","0.0005","15.5454","0.0015","26.097","0.002","90","","92.08","0.007","90","","2768.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^-(4-nitrophenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine hemihydrate","","- C14 H12 N3 O4.5 -","- C14 H12 N3 O4.5 -","- C112 H96 N24 O36 -","8","2","GA1061","Soylu, Serkan; Taş, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","<i>N</i>^1^-(4-<i>tert</i>-Butylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine and <i>N</i>^2^-hydroxy-<i>N</i>^1^-(4-nitrophenyl)-α-oxo-α-phenylacetamidine hemihydrate","Acta Crystallographica Section C","2004","60","9","o702","o704","10.1107/S0108270104017366","","","0.71073","MoKα","","0.1187","0.0364","","","0.0402","0.0465","","","","","","0.805","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014162","6.302","0.005","9.076","0.005","17.531","0.005","90","","90","","90","","1002.7","1","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C10 H8 N2 O5 -","- C10 H8 N2 O5 -","- C40 H32 N8 O20 -","4","0.5","GA1062","Uçar, İbrahim; Bulut, Ahmet; Yes̨ilel, Okan Zafer; Büyükgüngör, Orhan","Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate","Acta Crystallographica Section C","2004","60","8","o585","o588","10.1107/S0108270104013964","","","0.71069","MoKα","","0.0371","0.0306","","","0.0825","0.0851","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014163","7.761","0.005","22.288","0.005","10.684","0.005","90","","90","","90","","1848.1","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","0.5","GA1062","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate","Acta Crystallographica Section C","2004","60","8","o585","o588","10.1107/S0108270104013964","","","0.71069","MoKα","","0.0806","0.0368","","","0.0823","0.0939","","","","","","0.835","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014164","8.7932","0.0018","9.4508","0.0019","22.629","0.005","89.95","0.03","82.97","0.03","82.84","0.03","1851.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(2,2':6',2''-terpyridine-κ^3^N)zinc(II) hexaoxo-μ-peroxo-disulfate(VI) dihydrate N,N-dimethylformamide solvate","","- C33 H33 N7 O11 S2 Zn -","- C33 H33 N7 O11 S2 Zn -","- C66 H66 N14 O22 S4 Zn2 -","2","1","GA1063","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion","Acta Crystallographica Section C","2004","60","8","m375","m381","10.1107/S0108270104014337","","","0.71073","MoKα","","0.1816","0.0579","","","0.1201","0.1554","","","","","","0.812","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014165","8.949","0.0018","9.782","0.002","43.031","0.009","90","","92.95","0.03","90","","3761.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[2,4,6-tris(2-pyridyl)-1,3,5-triazine-κ^2^N^2^,N^4^]zinc(II) hexaoxo-μ-peroxo-disulfate(VI) dihydrate","","- C36 H28 N12 O10 S2 Zn -","- C36 H28 N12 O10 S2 Zn -","- C144 H112 N48 O40 S8 Zn4 -","4","1","GA1063","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion","Acta Crystallographica Section C","2004","60","8","m375","m381","10.1107/S0108270104014337","","","0.71073","MoKα","","0.1398","0.051","","","0.103","0.1195","","","","","","0.829","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2014166","12.301","0.003","13.984","0.003","16.183","0.003","102.83","0.03","105.49","0.03","98.69","0.03","2549.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[2,6-bis(2-benzimidazolyl)pyridine-κ^2^N^2^,N^6^]zinc(II) hexaoxo-μ-peroxo-disulfate(VI) N,N-dimethylformamide trisolvate","","- C47 H47 N13 O11 S2 Zn -","- C47 H45 N13 O11 S2 Zn -","- C94 H90 N26 O22 S4 Zn2 -","2","1","GA1063","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion","Acta Crystallographica Section C","2004","60","8","m375","m381","10.1107/S0108270104014337","","","0.71073","MoKα","","0.1884","0.058","","","0.178","0.1976","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014167","38.507","0.0003","5.68","0.0003","14.2961","0.0008","90","","108.366","0.002","90","","2967.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Benzidine penta-molybdate, 2[(C~12~H~13~N~2~)^+^].(Mo~5~O~16~)^2-^","","- C24 H26 Mo5 N4 O16 -","- C24 H26 Mo5 N4 O16 -","- C96 H104 Mo20 N16 O64 -","4","0.5","GD1318","Shu-Fang Zhang; Yan-Qiong Sun; Guo-Yu Yang","Bis[benzidinium(1‒)] pentamolybdate","Acta Crystallographica Section C","2004","60","7","m299","m301","10.1107/S010827010401090X","","","0.71073","MoKα","","0.0203","0.0189","","","0.0476","0.0486","","","","","","0.898","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014168","7.9407","0.0006","8.9815","0.0007","10.9523","0.001","91.072","0.01","91.061","0.01","101.29","0.009","765.67","0.11","193","1","193","1","","","","","","","","6","P -1","-P 1","2","","diaquabis(ethylenediamine-κ^2^N,N')copper(II)hexacyanoiron(II) tetrahydrate","","- C14 H47.74 Cu2 Fe N14 O7.86 -","- C14 H44.322 Cu2 Fe N14 O7.86 -","- C14 H44.322 Cu2 Fe N14 O7.86 -","1","0.5","GD1319","Kuchár, Juraj; Černák, Juraj; Massa, Werner","Hydrate isomerism in [Cu(en)~2~(H~2~O)~1.935~]~2~[Fe(CN)~6~]·4H~2~O","Acta Crystallographica Section C","2004","60","8","m418","m420","10.1107/S0108270104014581","","","0.71069","MoKα","","0.0344","0.0286","","","0.0707","0.0729","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014169","12.2895","0.0016","20.015","0.003","13.4042","0.0018","90","","98.739","0.002","90","","3258.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dimethyl 10b'-(4-fluorostyryl)-8',9'-dimethoxy-4-nitro-5',6'-dihydro-spiro[9H- fluorene-9,1'(10b'H)-pyrrolo[2,1-a]isoquinoline]-2',3'-dicarboxylate","","- C38 H31 F N2 O8 -","- C38 H31 F N2 O8 -","- C152 H124 F4 N8 O32 -","4","1","GD1322","Li Feng; Zhi-Ming Li; Yong-Sheng Tan; Min-Qin Chen; Lin-Hong Weng; Feng-Gang Tao","A new photochromic tetrahydroindolizine","Acta Crystallographica Section C","2004","60","7","o473","o474","10.1107/S0108270104010583","","","0.71073","MoKα","","0.0671","0.0511","","","0.1306","0.1426","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014170","8.582","0.002","9.079","0.001","13.092","0.004","100.59","0.01","103.66","0.01","97.83","0.01","957","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","aqua(suberato)(hydrogen suberato)lanthanum(III)","catena-Poly[[aqualanthanum(III)]-μ-(8-carboxyoctanoato)-μ-octanedioato]","","- C16 H27 La O9 -","- C16 H27 La O9 -","- C32 H54 La2 O18 -","2","1","GD1323","Belkacem Benmerad; Achoura Guehria-Laïdoudi; Slimane Dahaoui; Claude Lecomte","The first suberate lanthanum(III) complex without uncoordinated water","Acta Crystallographica Section C","2004","60","8","m407","m409","10.1107/S0108270104014751","","","0.71073","MoKα","","0.0263","0.0229","","","0.0593","0.0604","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014171","8.7922","0.0012","12.3094","0.0016","13.2806","0.0019","90","","90","","90","","1437.3","0.3","292","2","292","2","","","","","","","","5","I m m m","-I 2 2","71","","bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","","- C16 H40 Cl6 N2 Pd2 -","- C16 H40 Cl6 N2 Pd2 -","- C32 H80 Cl12 N4 Pd4 -","2","0.125","GD1325","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan","Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","Acta Crystallographica Section C","2004","60","9","m426","m430","10.1107/S0108270104016725","","","0.71069","MoKα","","0.0459","0.025","","","0.0642","0.0728","","","","","","1.61","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014172","8.7249","0.0012","12.238","0.003","13.062","0.002","90","","91.973","0.017","90","","1393.9","0.4","130","","230","0.2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","","- C16 H40 Cl6 N2 Pd2 -","- C16 H40 Cl6 N2 Pd2 -","- C32 H80 Cl12 N4 Pd4 -","2","0.25","GD1325","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan","Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","Acta Crystallographica Section C","2004","60","9","m426","m430","10.1107/S0108270104016725","","","0.71069","MoKα","","0.085","0.0289","","","0.0606","0.0751","","","","","","1.15","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014173","7.3054","0.0004","22.7966","0.0011","10.5956","0.0008","90","","91.679","0.006","90","","1763.82","0.19","148","","148","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-dichloro-5,5'-dipropoxybenzidine","","- C18 H22 Cl2 N2 O2 -","- C18 H22 Cl2 N2 O2 -","- C72 H88 Cl8 N8 O8 -","4","1","GD1327","El-Shafei, Ahmed; Hinks, David; Boyle, Paul D.; Freeman, Harold S.","Non-mutagenic organic pigment intermediates. II. Isomorphous 2,2'-dichloro-5,5'-dipropoxybenzidine and 2,2'-dimethyl-5,5'-dipropoxybenzidine","Acta Crystallographica Section C","2004","60","8","o569","o571","10.1107/S0108270104014763","","","0.71073","MoKα","","0.03","0.03","","0.039","","0.039","","","","","","2.56","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014174","7.1703","0.0003","23.0083","0.0009","10.8483","0.0006","90","","91.704","0.003","90","","1788.92","0.14","148","","148","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-dimethyl-5,5'-dipropoxybenzidine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","GD1327","El-Shafei, Ahmed; Hinks, David; Boyle, Paul D.; Freeman, Harold S.","Non-mutagenic organic pigment intermediates. II. Isomorphous 2,2'-dichloro-5,5'-dipropoxybenzidine and 2,2'-dimethyl-5,5'-dipropoxybenzidine","Acta Crystallographica Section C","2004","60","8","o569","o571","10.1107/S0108270104014763","","","0.71073","MoKα","","0.081","0.051","","0.058","","0.056","","","","","","1.43","","","","has coordinates,has Fobs","191977","2020-10-21","18:00:00",""
"2014175","9.5785","0.0015","9.5785","0.0015","9.713","0.002","90","","90","","90","","891.1","0.3","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Bis[1,3-bis(2-methyltetrazol-5-yl-κ^2^N^4^)triazenido-κN^2^]nickel(II)","","- C8 H12 N22 Ni -","- C8 H12 N22 Ni -","- C16 H24 N44 Ni2 -","2","0.25","GD1336","Lyakhov, Alexander S.; Gaponik, Pavel N.; Pytleva, Darya S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis[1,3-bis(2-methyltetrazol-5-yl-κ<i>N</i>^4^)triazenido-κ<i>N</i>^2^]nickel(II)","Acta Crystallographica Section C","2004","60","9","m421","m422","10.1107/S0108270104016087","","","0.71073","MoKα","","0.0438","0.0394","","","0.1139","0.1205","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014176","14.49","0.003","4.147","0.0008","16.848","0.003","90","","90","","90","","1012.4","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-chloro-3,6-dimethoxy-2,5-dimethylbenzene","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C40 H52 Cl4 O8 -","4","1","GG1216","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Montoya, Crystal L.","1-Chloro-3,6-dimethoxy-2,5-dimethylbenzene and 1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","Acta Crystallographica Section C","2004","60","7","o536","o538","10.1107/S0108270104013551","","","0.71073","MoKα","","0.0979","0.0633","","","0.1417","0.1627","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014177","6.074","0.0012","9.125","0.0018","9.445","0.0019","90","","103.11","0.03","90","","509.85","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C20 H26 Cl2 O4 -","2","1","GG1216","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Montoya, Crystal L.","1-Chloro-3,6-dimethoxy-2,5-dimethylbenzene and 1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","Acta Crystallographica Section C","2004","60","7","o536","o538","10.1107/S0108270104013551","","","0.71073","MoKα","","0.103","0.0514","","","0.1342","0.155","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014178","10.6052","0.0006","8.3553","0.0006","13.0588","0.001","90","","94.167","0.006","90","","1154.08","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-4-(4-Fluorophenyl)1-[2-hydroxy-2-(3-methyl-1-benzofuran-2- yl)ethyl]piperazinium chloride propan-1-ol solvate","","- C24 H32 Cl F N2 O3 -","- C24 H32 Cl F N2 O3 -","- C48 H64 Cl2 F2 N4 O6 -","2","1","GG1217","Kurfürst, Pavel; Marek, Jaromír; Vančo, Ján; Csöllei, Jozef","(<i>R</i>)-4-(4-Fluorophenyl)-1-[2-hydroxy-2-(3-methyl-1-benzofuran-2-yl)ethyl]piperazinium chloride propan-1-ol solvate","Acta Crystallographica Section C","2004","60","7","o494","o495","10.1107/S0108270104011369","","","0.71073","MoKα","","0.0259","0.0247","","","0.0655","0.0662","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014179","6.1514","0.0002","10.3171","0.0005","15.7351","0.0008","71.722","0.002","85.78","0.003","85.306","0.003","943.84","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-tert-Butyl-7,7-dimethyl-1-phenyl-5,6,7,8- tetrahydroimidazo[3,4-b]quinolin-5-one","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","GG1220","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","3-<i>tert</i>-Butyl-7,7-dimethyl-1-phenyl-5,6,7,8-tetrahydroimidazo[3,4-<i>b</i>]quinolin-5-one and 2,8,8-trimethyl-5-phenyl-6,7,8,9-tetrahydroimidazo[2,3-<i>a</i>]quinolin-6-one: chains generated by C—H···N hydrogen bonds","Acta Crystallographica Section C","2004","60","7","o479","o482","10.1107/S0108270104011291","","","0.71073","MoKα","","0.1123","0.0592","","","0.1367","0.16","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014180","7.7988","0.0003","17.095","0.0006","12.0231","0.0003","90","","108.8","0.0018","90","","1517.41","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,8,8-Trimethyl-5-phenyl-6,7,8,9-tetrahydroimidazo[2,3-a]quinolin-6-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","GG1220","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","3-<i>tert</i>-Butyl-7,7-dimethyl-1-phenyl-5,6,7,8-tetrahydroimidazo[3,4-<i>b</i>]quinolin-5-one and 2,8,8-trimethyl-5-phenyl-6,7,8,9-tetrahydroimidazo[2,3-<i>a</i>]quinolin-6-one: chains generated by C—H···N hydrogen bonds","Acta Crystallographica Section C","2004","60","7","o479","o482","10.1107/S0108270104011291","","","0.71073","MoKα","","0.0804","0.0511","","","0.1201","0.1342","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014181","8.447","0.002","13.051","0.002","13.218","0.002","102.11","0.02","91.61","0.02","96.81","0.02","1412.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","manganium phthalocyanine","Iodo[phthalocyaninato(2-)]manganese(III) hemi(diiodine)","","- C64 H32 I4 Mn2 N16 -","- C64 H32 I4 Mn2 N16 -","- C64 H32 I4 Mn2 N16 -","1","0.5","GG1221","Janczak, Jan","Iodo[phthalocyaninato(2‒)]manganese(III) bridged by a neutral I~2~ molecule","Acta Crystallographica Section C","2004","60","7","m330","m332","10.1107/S0108270104012387","","","0.71073","MoKα","","0.0922","0.0564","","","0.0688","0.0792","","","","","","1.003","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2014182","4.4395","0.0007","7.4724","0.0007","17.972","0.003","90","","91.304","0.013","90","","596.04","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis[1-(pyrazin-2-yl)ethylidene]hydrazine","","- C12 H12 N6 -","- C12 H12 N6 -","- C24 H24 N12 -","2","0.5","HJ1007","Şengül, Abdurrahman; Karadayı, Nevzat; Büyükgüngör, Orhan","<i>N</i>,<i>N</i>'-Bis[1-(pyrazin-2-yl)ethylidene]hydrazine","Acta Crystallographica Section C","2004","60","7","o507","o508","10.1107/S010827010401220X","","","0.71073","MoKα","","0.0523","0.0385","","","0.1066","0.1116","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014183","11.3624","0.0003","35.224","0.001","13.718","0.0004","90","","96.991","0.002","90","","5449.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","t-butyl-Calix[4]arene-diacid","(5,11,17,23-Tetra-tert-butyl-26,28-dihydroxycalix[4]arene-25,27-dioxy)diacetic acid N,N-dimethylformamide trisolvate","","- C57 H81 N3 O11 -","- C57 H81 N3 O11 -","- C228 H324 N12 O44 -","4","1","HJ1009","Schlientz, Leah M.; Hagen, Karl S.","(5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-dihydroxycalix[4]arene-25,27-dioxy)diacetic acid <i>N</i>,<i>N</i>-dimethylformamide trisolvate","Acta Crystallographica Section C","2004","60","7","o533","o535","10.1107/S010827010401323X","","","1.54178","CuKα","","0.0606","0.0435","","","0.1195","0.1269","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014184","6.8229","0.0005","8.9565","0.0011","20.31","0.006","90","","90","","90","","1241.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N6 O4 -","- C11 H12 N6 O4 -","- C44 H48 N24 O16 -","4","1","HJ1011","Lin, Wenqing; Seela, Frank; Eickmeier, Henning; Reuter, Hans","1,<i>N</i>^6^-Etheno derivative of 7-deaza-2,8-diazaadenosine","Acta Crystallographica Section C","2004","60","8","o566","o568","10.1107/S010827010401409X","","","0.71073","MoKα","","0.0597","0.0435","","","0.1037","0.1141","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014185","8.3619","0.0015","9.4973","0.0018","12.349","0.002","83.167","0.003","76.646","0.004","66.027","0.003","871.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(acetato-κ^2^O,O')(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')mercury(II)","","- C18 H18 Hg N2 O4 -","- C18 H6 Hg N2 O4 -","- C36 H12 Hg2 N4 O8 -","2","1","HJ1012","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) in two differently hydrated crystal forms","Acta Crystallographica Section C","2004","60","8","m382","m385","10.1107/S0108270104014131","","","0.71073","MoKα","","0.1106","0.0501","","","0.0729","0.0842","","","","","","0.807","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014186","13.738","0.003","14.076","0.003","20.615","0.004","93.11","0.03","90.85","0.03","118.93","0.03","3480","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tris[bis(acetato-κ^2^O,O')(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N')mercury(II)] hexadecahydrate","","- C54 H86 Hg3 N6 O28 -","- C54 H18 Hg3 N6 O28 -","- C108 H36 Hg6 N12 O56 -","2","1","HJ1012","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) in two differently hydrated crystal forms","Acta Crystallographica Section C","2004","60","8","m382","m385","10.1107/S0108270104014131","","","0.71073","MoKα","","0.0825","0.0446","","","0.1011","0.1144","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014187","13.1572","0.0019","13.1572","0.0019","7.7434","0.0015","90","","90","","120","","1160.9","0.3","293","2","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B3 O6 Rb3 -","- B3 O6 Rb3 -","- B18 O36 Rb18 -","6","0.166667","IZ1042","Sabine Schmid; Wolfgang Schnick","Rubidium metaborate, Rb~3~B~3~O~6~","Acta Crystallographica Section C","2004","60","7","i69","i70","10.1107/S0108270104010066","","","0.71073","MoKα","","","0.0194","","","","0.0462","","","","","","1.221","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014188","14.6525","0.0013","14.6357","0.0008","6.1793","0.0005","90","","93.801","0.01","90","","1322.23","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2, 2, 6, 6-Tetramethylpiperidin-1-yloxy)propane-1,3-diol","","- C12 H25 N O3 -","- C12 H25 N O3 -","- C48 H100 N4 O12 -","4","1","JZ1616","Schmittel, Michael; Lal, Mukul; Schlosser, Marc; Deiseroth, Hans-Jörg","A supramolecular ladder motif in 2-(2,2,6,6-tetramethylpiperidin-1-yloxy)propane-1,3-diol","Acta Crystallographica Section C","2004","60","8","o589","o591","10.1107/S0108270104014647","","","0.71073","MoKα","","0.0663","0.0364","","","0.0846","0.093","","","","","","0.926","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014189","7.264","0.002","11.669","0.004","12.745","0.003","95.91","0.02","104.37","0.02","92.93","0.03","1037.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[bis(cis-4-phenyltetrazole-κN^1^)copper(II)]-di-μ-chloro] 1-phenyltetrazole hemisolvate]","","- C17.5 H15 Cl2 Cu N10 -","- C17.5 H15 Cl2 Cu N10 -","- C35 H30 Cl4 Cu2 N20 -","2","1","JZ1625","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Degtyarik, Mikhail M.; Gaponik, Pavel N.","<i>catena</i>-Poly[[[<i>cis</i>-bis(1-phenyltetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-chloro] hemi(1-phenyltetrazole)]","Acta Crystallographica Section C","2004","60","8","m368","m370","10.1107/S0108270104014428","","","0.71073","MoKα","","0.041","0.0372","","","0.1069","0.111","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014190","10.01","0.002","11.9","0.002","11.92","0.002","76.51","0.03","70.23","0.03","78.13","0.03","1286.8","0.5","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Fe3 O2 P -","- C30 H29 Fe3 O2 P -","- C60 H58 Fe6 O4 P2 -","2","1","JZ1629","Muller, Alfred; Steyl, Gideon; Roodt, Andreas","Triferrocenylphosphine oxide monohydrate","Acta Crystallographica Section C","2004","60","8","m386","m388","10.1107/S0108270104014908","","","0.71073","MoKα","","","0.0283","","","","0.0728","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014191","9.0937","0.0011","5.6809","0.0006","10.383","0.0011","90","","90","","90","","536.39","0.1","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","4-(Trimethylammonio)phenyl-4-thiosulfate","","- C9 H13 N O3 S2 -","- C9 H13 N O3 S2 -","- C18 H26 N2 O6 S4 -","2","0.5","JZ1631","Chen, Jin-Xiang; Xu, Qing-Feng; Zhang, Yong; Zain, Sharifuddin M.; Ng, Seik Weng; Lang, Jian-Ping","<i>S</i>-[4-(Trimethylammonio)phenyl]thiosulfate, an aromatic organic thiosulfate","Acta Crystallographica Section C","2004","60","8","o572","o574","10.1107/S010827010401443X","","","0.7107","MoKα","","0.0241","0.0234","","","0.0593","0.0598","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014192","6.9636","0.0016","14.819","0.003","10.256","0.002","90","","96.702","0.005","90","","1051.1","0.4","193.15","0.02","193.15","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[diazidomanganese(II)]-di-μ-1,2-bis(imidazol-1-yl)ethane]","","- C16 H20 Mn N14 -","- C16 H20 Mn N14 -","- C32 H40 Mn2 N28 -","2","0.5","JZ1634","Li, Bao-Long; Zhu, Xia; Zhou, Jun-Hui; Zhang, Yong","A novel two-dimensional Mn^II^ coordination polymer with 1,2-bis(imidazol-1-yl)ethane","Acta Crystallographica Section C","2004","60","8","m373","m374","10.1107/S0108270104014453","","","0.71073","MoKα","","0.0436","0.0395","","","0.0851","0.0871","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014193","7.3485","0.0004","10.2458","0.0006","10.5738","0.0006","67.725","0.001","74.742","0.001","70.468","0.001","685.76","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","trans-bis(N-propyl-N'-benzoylthiourea)diiodoplatinum(II)","trans-diiodobis(N-propyl-N'-benzoylthiourea-κS)platinum(II)","","- C22 H28 I2 N4 O2 Pt S2 -","- C22 H28 I2 N4 O2 Pt S2 -","- C22 H28 I2 N4 O2 Pt S2 -","1","0.5","JZ1636","Westra, Arjan N.; Esterhuysen, Catharine; Koch, Klaus R.","Intramolecular hydrogen-bond-directed coordination: <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)diiodoplatinum(II) and <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)dibromoplatinum(II)","Acta Crystallographica Section C","2004","60","8","m395","m398","10.1107/S0108270104014933","","","0.71073","MoKα","","0.0151","0.0151","","","0.0373","0.0373","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014194","8.6641","0.0011","8.8178","0.0011","9.7472","0.0012","104.609","0.002","112.263","0.002","98.663","0.002","641.18","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","trans-bis(N-propyl-N'-benzoylthiourea)dibromoplatinum(II)","trans-dibromobis(N-propyl-N'-benzoylthiourea-κS)platinum(II)","","- C22 H28 Br2 N4 O2 Pt S2 -","- C22 H28 Br2 N4 O2 Pt S2 -","- C22 H28 Br2 N4 O2 Pt S2 -","1","0.5","JZ1636","Westra, Arjan N.; Esterhuysen, Catharine; Koch, Klaus R.","Intramolecular hydrogen-bond-directed coordination: <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)diiodoplatinum(II) and <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)dibromoplatinum(II)","Acta Crystallographica Section C","2004","60","8","m395","m398","10.1107/S0108270104014933","","","0.71073","MoKα","","0.0248","0.0239","","","0.0598","0.0603","","","","","","1.062","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014195","16.069","0.002","16.069","0.002","11.836","0.004","90","","90","","90","","3056.2","1.2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Hexa-μ~2~-chloro-μ~4~-oxo-tetrakis[(2-ethyltetrazole-kN^4^)copper(II)]","","- C12 H24 Cl6 Cu4 N16 O -","- C12 H24 Cl6 Cu4 N16 O -","- C48 H96 Cl24 Cu16 N64 O4 -","4","0.25","JZ1637","Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.","Hexa-μ~2~-chloro-μ~4~-oxo-tetrakis[(2-ethyltetrazole-κ<i>N</i>^4^)copper(II)]","Acta Crystallographica Section C","2004","60","8","m399","m401","10.1107/S0108270104014921","","","0.71073","MoKα","","0.0403","0.0337","","","0.0879","0.0925","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014196","9.894","0.002","9.887","0.002","20.016","0.004","90","","90.909","0.004","90","","1957.8","0.7","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraaqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^N,N')zinc(II) thiosulfate","","- C16 H24 N2 O7 S2 Zn -","- C16 H24 N2 O7 S2 Zn -","- C64 H96 N8 O28 S8 Zn4 -","4","1","JZ1648","M. Enriqueta Díaz de Vivar; Sergio Baggio; Andrés Ibañez; Ricardo Baggio","Tetraaqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) thiosulfate","Acta Crystallographica Section C","2004","60","9","m451","m453","10.1107/S0108270104018219","","","0.71073","MoKα","","0.1258","0.0531","","","0.1306","0.1407","","","","","","0.812","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014197","18.737","0.003","3.727","0.001","16.617","0.002","90","","114.57","0.02","90","","1055.3","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C3 H3 N3 O2 S -","- C3 H3 N3 O2 S -","- C24 H24 N24 O16 S8 -","8","2","NA1637","Jacek Zaleski; Grzegorz Spaleniak; Kyzioł, Janusz B.","<i>N</i>-(3<i>H</i>-Thiazol-2-ylidene)nitramine and <i>N</i>-methyl-<i>N</i>-(thiazol-2-yl)nitramine","Acta Crystallographica Section C","2004","60","9","o627","o629","10.1107/S0108270104001428","","","0.71073","MoKα","","0.0536","0.0326","","","0.079","0.093","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014198","8.667","0.002","11.473","0.002","12.919","0.003","90","","96.8","0.03","90","","1275.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N3 O2 S -","- C4 H5 N3 O2 S -","- C32 H40 N24 O16 S8 -","8","2","NA1637","Jacek Zaleski; Grzegorz Spaleniak; Kyzioł, Janusz B.","<i>N</i>-(3<i>H</i>-Thiazol-2-ylidene)nitramine and <i>N</i>-methyl-<i>N</i>-(thiazol-2-yl)nitramine","Acta Crystallographica Section C","2004","60","9","o627","o629","10.1107/S0108270104001428","","","0.71073","MoKα","","0.0615","0.029","","","0.0727","0.0955","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014199","9.871","0.002","13.119","0.003","13.438","0.003","88.421","0.003","84.029","0.002","84.05","0.003","1721.2","0.7","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquamagnesium(II) (μ-2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4- chlorophenolato)bis[diaquamagnesium(II)] decahydrate","","- C32 H96 Cl2 Mg5 N4 O52 -","- C32 H96 Cl2 Mg5 N4 O52 -","- C32 H96 Cl2 Mg5 N4 O52 -","1","0.5","NA1658","Gao, Fei; Meng, Bian-Hong; Wei, Yi-Bin","Hemi[hexaaquamagnesium(II)] (μ-2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato)bis[diaquamagnesium(II)] decahydrate","Acta Crystallographica Section C","2004","60","7","m360","m362","10.1107/S0108270104012867","","","0.71073","MoKα","","0.0608","0.0495","","","0.1303","0.1372","","","","","","1.053","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2014200","8.806","0.0018","12.097","0.002","14.809","0.003","90","","105.88","0.03","90","","1517.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Benzoyl-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","","- C17 H14 N4 O S -","- C17 H14 N4 O S -","- C68 H56 N16 O4 S4 -","4","1","NA1659","Fangfang Jian; Hailian Xiao; Yongqi Qin; Liangzhong Xu","2-Benzoyl-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide and 2-(4-methoxybenzoyl)-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","Acta Crystallographica Section C","2004","60","7","o492","o493","10.1107/S0108270104012351","","","0.71073","MoKα","","0.0634","0.0404","","","0.0956","0.103","","","","","","1.093","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014201","9.806","0.002","11.677","0.002","16.002","0.005","90","","112.55","0.02","90","","1692.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","- C72 H64 N16 O8 S4 -","4","1","NA1659","Fangfang Jian; Hailian Xiao; Yongqi Qin; Liangzhong Xu","2-Benzoyl-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide and 2-(4-methoxybenzoyl)-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","Acta Crystallographica Section C","2004","60","7","o492","o493","10.1107/S0108270104012351","","","0.71073","MoKα","","0.1268","0.078","","","0.2146","0.2401","","","","","","1.122","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014202","8.6797","0.0017","8.7749","0.0018","10.057","0.002","96.09","0.03","100.55","0.03","100.89","0.03","731.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-dihydrogen phosphato-κO:O')bis[(bipyridine-κ^2^N,N')(dihydrogen phosphato-κO)cobalt(II)]","","- C20 H24 Co2 N4 O16 P4 -","- C20 H24 Co2 N4 O16 P4 -","- C20 H24 Co2 N4 O16 P4 -","1","0.5","NA1662","Jian, Fang-Fang; Tong, Yu-Ping; Xiao, Hai-Lian; Sun, Ping-Ping; Zhao, Pu-Su","A dinuclear Co^II^ complex: bis(μ-dihydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')bis[(bipyridine-κ^2^<i>N</i>,<i>N</i>')(dihydrogen phosphato-κ<i>O</i>)cobalt(II)]","Acta Crystallographica Section C","2004","60","7","m348","m349","10.1107/S0108270104013022","","","0.71073","MoKα","","0.0492","0.04","","","0.0869","0.091","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014203","9.98","0.002","11.853","0.003","14.575","0.004","90","","94.147","0.004","90","","1719.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","NA1665","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Conformational switching caused by biphenyl substitution at the C^{α^} position: ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate and ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate","Acta Crystallographica Section C","2004","60","7","o527","o530","10.1107/S0108270104013150","","","0.71073","MoKα","","0.1051","0.0615","","","0.1394","0.1613","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","211196","2020-10-21","18:00:00",""
"2014204","26.761","0.005","10.9424","0.0019","8.5818","0.0015","90","","95.068","0.003","90","","2503.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate","","- C31 H29 N O3 -","- C31 H29 N O3 -","- C124 H116 N4 O12 -","4","1","NA1665","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Conformational switching caused by biphenyl substitution at the C^{α^} position: ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate and ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate","Acta Crystallographica Section C","2004","60","7","o527","o530","10.1107/S0108270104013150","","","0.71073","MoKα","","0.1716","0.0796","","","0.1325","0.1611","","","","","","1.054","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2014205","9.928","0.0008","19.9509","0.0017","9.5841","0.0014","90","","107.875","0.009","90","","1806.7","0.4","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Benzoylamino-3-bromo-4-(4-methoxy-phenyl)-4,5-dihydro-isoxazole- 5-carboxylic acid","","- C18 H15 Br N2 O5 -","- C18 H15 Br N2 O5 -","- C72 H60 Br4 N8 O20 -","4","1","NA1666","Bruno, Giuseppe; Rotondo, Archimede; Grassi, Giovanni; Foti, Francesco; Risitano, Francesco; Nicoló, Francesco","5-Benzoylamino-3-bromo-4-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid","Acta Crystallographica Section C","2004","60","7","o496","o497","10.1107/S010827010401265X","","","0.71073","MoKα","","","0.0587","","","","0.1492","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014206","12.8717","0.0017","11.5173","0.0012","12.6441","0.0013","90","","120.507","0.012","90","","1615","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Dichloro(norbornadiene)platinum(II)","(bicyclo[2.2.1]hepta-2,5-diene)dichloroplatinum(II)","","- C7 H8 Cl2 Pt -","- C7 H8 Cl2 Pt -","- C56 H64 Cl16 Pt8 -","8","1","NA1667","Butikofer, Jeffrey L.; Kalberer, Eric W.; Schuster, William C.; Roddick, Dean M.","Dichloro(norbornadiene)platinum(II): a comparison with dichloro(cyclooctadiene)platinum(II)","Acta Crystallographica Section C","2004","60","7","m353","m354","10.1107/S0108270104012491","","","0.71073","MoKα","","0.0441","0.0352","","","0.0849","0.09","","","","","","1.056","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014207","13.2826","0.0005","8.7162","0.0003","12.7914","0.0004","90","","111.483","0.0017","90","","1378.03","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-Benzo[b]thiophen-3-ylmethylene-N-(2,5-dichloro-phenyl)hydrazine","","- C15 H10 Cl2 N2 S -","- C15 H10 Cl2 N2 S -","- C60 H40 Cl8 N8 S4 -","4","1","NA1668","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-<i>N</i>-[(Benzo[<i>b</i>]thiophen-3-yl)methylene]-<i>N</i>'-(2,5-dichlorophenyl)hydrazine","Acta Crystallographica Section C","2004","60","8","o550","o551","10.1107/S0108270104013873","","","0.71073","MoKα","","0.1015","0.0503","","","0.1043","0.1206","","","","","","1.421","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014208","17.3805","0.0003","14.8094","0.0002","11.0596","0.0002","90","","90.7798","0.0006","90","","2846.42","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dichlorophenyl)-3-methyl-5-phenyl-1H-pyrazole","","- C16 H12 Cl2 N2 -","- C16 H12 Cl2 N2 -","- C128 H96 Cl16 N16 -","8","2","NA1669","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(2,5-Dichlorophenyl)-3-methyl-5-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2004","60","8","o547","o549","10.1107/S0108270104013848","","","0.71073","MoKα","","0.0547","0.0351","","","0.082","0.0889","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014209","19.4758","0.0009","12.2344","0.0006","22.1493","0.001","90","","100.38","0.005","90","","5191.2","0.4","173","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C248 H216 N8 O32 S8 -","8","2","NA1671","Domagała, Małgorzata; Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Urbaniak, Katarzyna; Mlostoń, Grzegorz; Grabowski, Sławomir J.","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3'-pentamethyl-<i>r</i>-2',<i>t</i>-4'-diphenylcyclobutane-1-spiro-5'-1,3-thiazolidine","Acta Crystallographica Section C","2004","60","8","o595","o599","10.1107/S0108270104015045","","","0.71073","MoKα","","","0.0367","","","","0.0918","","","","","","0.91","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014210","11.3371","0.0008","12.7769","0.0009","29.1481","0.0018","90","","90","","90","","4222.2","0.5","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-dichloro-2,2,4,4,3'-pentamethyl-r-2',t-4'-diphenylcyclobutane-1-spiro-5'- 1,3-thiazolidine","","- C23 H27 Cl2 N S -","- C23 H27 Cl2 N S -","- C184 H216 Cl16 N8 S8 -","8","1","NA1671","Domagała, Małgorzata; Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Urbaniak, Katarzyna; Mlostoń, Grzegorz; Grabowski, Sławomir J.","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3'-pentamethyl-<i>r</i>-2',<i>t</i>-4'-diphenylcyclobutane-1-spiro-5'-1,3-thiazolidine","Acta Crystallographica Section C","2004","60","8","o595","o599","10.1107/S0108270104015045","","","0.71073","MoKα","","","0.0326","","","","0.0802","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014211","11.7497","0.0002","14.054","0.0003","17.9014","0.0004","70.154","0.001","78.165","0.001","81.29","0.001","2710.63","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","di-μ-cyano-1:2κ^2^C:N;1:3κ^2^C:N-tetracyano-1κ^4^N-bis(13-ethyl-5,7,7- trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)- 2κ^4^N^1^,N^4^,N^8^,N^11^;3κ^4^N^1^,N^4^,N^8^,N^11^-dicopper(II)nickel(II) diaqua-1,3κ^2^O-di-μ-cyano-1:2κ^2^C:N;1:3κ^2^C:N-tetracyano-1κ^4^N- bis(13-ethyl-5,7,7-trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)- 2κ^4^N^1^,N^4^,N^8^,N^11^;3κ^4^N^1^,N^4^,N^8^,N^11^-dicopper(II)nickel(II) bis[tetracyanonickelate(II)] octahydrate","","- C76 H144 Cu4 N36 Ni4 O18 -","- C76 H144 Cu4 N36 Ni4 O18 -","- C76 H144 Cu4 N36 Ni4 O18 -","1","0.5","NA1674","Neil F. Curtis; Horst Puschman","A compound of a novel tetraaza-macrocycle with trinuclear tetracyanonickelate-bridged cations","Acta Crystallographica Section C","2004","60","8","m410","m413","10.1107/S0108270104015483","","","0.71073","MoKα","","0.1007","0.0628","","","0.1432","0.1622","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014212","9.045","0.002","11.647","0.003","12.225","0.002","103.663","0.017","107.458","0.019","109.78","0.02","1071.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl4 N5 O2 P3 -","- C14 H14 Cl4 N5 O2 P3 -","- C28 H28 Cl8 N10 O4 P6 -","2","1","OB1177","Çaylak, Nagihan; Hökelek, Tuncer; Bilge, Selen; Özgüç, Bilgehan; Kılıç, Zeynel","4,4,6,6-Tetrachloro-2,2-(ethylenedioxydi-<i>o</i>-phenylenediimino)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene","Acta Crystallographica Section C","2004","60","7","o461","o463","10.1107/S0108270104010169","","","0.71073","MoKα","","0.0937","0.056","","","0.1514","0.1724","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014213","8.4789","0.0017","9.5233","0.0011","10.3607","0.0017","108.811","0.009","92.172","0.013","105.561","0.013","755.8","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-methylimidazolium) hydroxodiphosphatoaluminium","","- C8 H15 Al N4 O8 P2 -","- C8 H15 Al N4 O8 P2 -","- C16 H30 Al2 N8 O16 P4 -","2","1","OB1178","Junya Takashima; Kazumasa Sugiyama; Tokuhei Tagai; Osamu Terasaki; Jihong Yu","Bis(2-methylimidazolium) hydroxodiphosphatoaluminium","Acta Crystallographica Section C","2004","60","7","m333","m334","10.1107/S0108270104011990","","","0.71069","MoKα","","0.0844","0.0518","","","0.1149","0.1298","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014214","10.577","0.002","8.112","0.002","19.661","0.004","90","","105.6","0.03","90","","1624.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[diaquabis(2-chloronicotinato)cadmium(II)]","","- C12 H10 Cd Cl2 N2 O6 -","- C12 H10 Cd Cl2 N2 O6 -","- C48 H40 Cd4 Cl8 N8 O24 -","4","1","OB1179","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Ng, Seik Weng; Sun, Zhi-Zhong; Gao, Jin-Sheng","<i>catena</i>-Poly[[diaquabis(2-chloronicotinato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-2-chloronicotinato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>]","Acta Crystallographica Section C","2004","60","8","m363","m365","10.1107/S0108270104013435","","","0.71073","MoKα","","0.033","0.03","","","0.076","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014215","13.606","0.008","16.379","0.009","14.289","0.009","90","","104.118","0.007","90","","3088","3","150.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Mn2 N6 O8 -","- C32 H28 Mn2 N6 O8 -","- C128 H112 Mn8 N24 O32 -","4","0.5","OB1180","Bian, Guo-Qing; Kuroda-Sowa, Takayoshi; Konaka, Hisashi; Maekawa, Masahiko; Munakata, Megumu","Bis(μ-6-hydroxypicolinato)-μ-oxo-bis[dipyridinemanganese(III)] monohydrate","Acta Crystallographica Section C","2004","60","7","m338","m340","10.1107/S0108270104012624","","","0.7107","MoKα","","","0.0495","","","","0.1091","","","","","","1.116","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014216","8.9834","0.0001","9.511","0.0002","11.9857","0.0002","82.131","0.002","87.598","0.001","81.992","0.002","1004.26","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2- benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","","- C13 H12 Cl4 N5 O P3 -","- C13 H12 Cl4 N5 O P3 -","- C26 H24 Cl8 N10 O2 P6 -","2","1","OB1184","Tercan, Barış; Hökelek, Tuncer; Dal, Hakan; Süzen, Yasemin; Kılıç, Zeynel","4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2-benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","Acta Crystallographica Section C","2004","60","9","o639","o641","10.1107/S0108270104016518","","","1.54184","CuKα","","0.0787","0.0631","","","0.152","0.1659","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014217","16.392","0.003","16.392","0.003","22.784","0.006","90","","90","","90","","6122","2","296.2","","","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C12 H40 Br4 Ir2 N6 O2 S6 -","- C12 H40 Br4 Ir2 N6 O2 S6 -","- C96 H320 Br32 Ir16 N48 O16 S48 -","8","0.5","OB1185","Mitsuharu Fujita; Yoshitaro Miyashita; Nagina Amir; Yasunori Yamada; Kiyoshi Fujisawa; Ken-ichi Okamoto","Bis(μ-cystamine-κ^4^<i>N</i>,<i>S</i>:<i>S</i>',<i>N</i>')bis[(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)iridium(III)] tetrabromide dihydrate","Acta Crystallographica Section C","2004","60","9","m435","m436","10.1107/S0108270104016816","","","0.7107","MoKα","","","0.0465","","","","0.117","","","","","","1.012","","","","has coordinates,has Fobs","199684","2020-10-21","18:00:00",""
"2014218","6.8414","0.0006","10.7408","0.0009","10.7597","0.0009","64.042","0.002","77.298","0.002","72.81","0.002","675.34","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[μ-6-(ethoxycarbonyl)pyridine-2-carboxylato]- 1:2κ^4^O^6^,N,O^2^:O^2^;1:2κ^4^O^2^:O^2^,N,O^6^-bis[diaquachlorocadmium(II)] dihydrate","","- C18 H28 Cd2 Cl2 N2 O14 -","- C18 H28 Cd2 Cl2 N2 O14 -","- C18 H28 Cd2 Cl2 N2 O14 -","1","0.5","OB1187","Yang, E.; Li, Zhao-Ji; Zhang, Jian; Chen, Yu-Biao; Yao, Yuan-Gen","Bis(μ-ethyl pyridine-2,6-dicarboxylato)bis[diaquachlorocadmium(II)] dihydrate","Acta Crystallographica Section C","2004","60","9","m457","m459","10.1107/S0108270104017378","","","0.71073","MoKα","","","0.0327","","","0.0838","0.0892","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014219","8.8356","0.0007","5.752","0.0005","30.803","0.002","90","","95.821","0.006","90","","1557.4","0.2","250","","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","OB1188","Dinçer, Muharrem; Özdemir, Namık; Yılmaz, İbrahim; Çukurovalı, Alaaddin; Büyükgüngör, Orhan","1-Methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane","Acta Crystallographica Section C","2004","60","9","o674","o676","10.1107/S0108270104018074","","","0.71073","MoKα","","0.0649","0.0571","","","0.1396","0.1458","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014220","9.0221","0.0014","9.1427","0.0014","11.9077","0.0018","85.111","0.002","68.812","0.002","78.911","0.002","898.6","0.2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","1-(n-hexyl)-3-methyl-4-(1-phenylaminopropylidene)-2-pyrazolin-5-one","","- C19 H27 N3 O -","- C19 H27 N3 O -","- C38 H54 N6 O2 -","2","1","OB1196","Belmar, Julio; Pérez, Fredy R.; Moreno, Yanko; Baggio, Ricardo","Two enamines derived from 1-<i>n</i>-alkyl-3-methylpyrazol-5-ones","Acta Crystallographica Section C","2004","60","9","o705","o708","10.1107/S0108270104018736","","","0.71073","MoKα","","0.0773","0.0488","","","0.133","0.1584","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014221","8.0168","0.0013","9.5029","0.0015","10.7032","0.0017","71.357","0.002","86.811","0.002","85.112","0.003","769.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis{1-[1-(n-hexyl)-3-methyl-5-oxo-2-pyrazolin-4-ylidene]ethyl}hexane- 1,6-diamine","","- C30 H52 N6 O2 -","- C30 H52 N6 O2 -","- C30 H52 N6 O2 -","1","0.5","OB1196","Belmar, Julio; Pérez, Fredy R.; Moreno, Yanko; Baggio, Ricardo","Two enamines derived from 1-<i>n</i>-alkyl-3-methylpyrazol-5-ones","Acta Crystallographica Section C","2004","60","9","o705","o708","10.1107/S0108270104018736","","","0.71073","MoKα","","0.0932","0.0481","","","0.1174","0.1518","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014222","20.661","0.009","9.795","0.004","17.249","0.007","90","","99.182","0.012","90","","3446","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-[(4-Chlorobenzoyl)methyl]-4-(N,N-dimethylamino)pyridinium bromide sesquihydrate","","- C15 H19 Br Cl N2 O2.5 -","- C15 H19 Br Cl N2 O2.5 -","- C120 H152 Br8 Cl8 N16 O20 -","8","1","SK1711","Sundar, T.V.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Walfort, B.; Lang, H.","1-[(4-Chlorobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate and 1-[(4-bromobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate","Acta Crystallographica Section C","2004","60","7","o464","o466","10.1107/S0108270104010923","","","0.71073","MoKα","","0.0747","0.0404","","","0.0924","0.1066","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014223","20.403","0.006","10.022","0.003","17.386","0.004","90","","100.182","0.008","90","","3499.1","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(4-Bromobenzoyl)methyl]-4-(N,N-dimethylamino)pyridinium bromide sesquihydrate","","- C15 H19 Br2 N2 O2.5 -","- C15 H19 Br2 N2 O2.5 -","- C120 H152 Br16 N16 O20 -","8","1","SK1711","Sundar, T.V.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Walfort, B.; Lang, H.","1-[(4-Chlorobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate and 1-[(4-bromobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate","Acta Crystallographica Section C","2004","60","7","o464","o466","10.1107/S0108270104010923","","","0.71073","MoKα","","0.0673","0.0383","","","0.0969","0.1108","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014224","6.905","0.003","13.116","0.005","18.969","0.011","90","","90","","90","","1717.9","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","p-nitrophenyl sufate potassium salt","potassium p-nitrophenyl sulfate","","- C6 H4 K N O6 S -","- C6 H4 K N O6 S -","- C48 H32 K8 N8 O48 S8 -","8","1","SK1726","Sierosławski, Krzysztof; Popek, Tomasz; Lis, Tadeusz","Potassium <i>p</i>-nitrophenyl sulfate","Acta Crystallographica Section C","2004","60","7","m327","m329","10.1107/S0108270104010984","","","0.71073","MoKα","","0.0696","0.0364","","","0.0772","0.0848","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014225","5.7056","0.0004","5.7056","0.0004","8.1002","0.0009","90","","90","","90","","263.69","0.04","293","","293","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","strontium niobium dioxygen nitride","","- N3.72 Nb4 O8.28 Sr4 -","- N3.72 Nb4 O8.28 Sr4 -","- N3.72 Nb4 O8.28 Sr4 -","1","0.03125","SK1729","Ebbinghaus, Stefan G.; Weidenkaff, Anke; Rachel, Anita; Reller, Armin","Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K","Acta Crystallographica Section C","2004","60","9","i91","i93","10.1107/S0108270104016105","","neutron","1.49328","neutron","","","","","","","","","","1.63","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014226","5.6938","0.0004","5.6938","0.0004","8.0974","0.0008","90","","90","","90","","262.51","0.04","1.5","","1.5","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","strontium niobium dioxygen nitride","","- N3.84 Nb4 O8.16 Sr4 -","- N3.84 Nb4 O8.16 Sr4 -","- N3.84 Nb4 O8.16 Sr4 -","1","0.03125","SK1729","Ebbinghaus, Stefan G.; Weidenkaff, Anke; Rachel, Anita; Reller, Armin","Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K","Acta Crystallographica Section C","2004","60","9","i91","i93","10.1107/S0108270104016105","","neutron","1.49328","neutron","","","","","","","","","","1.57","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014227","6.1997","0.0006","10.6324","0.0012","15.8948","0.0014","90","","97.145","0.007","90","","1039.61","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6β-Azido-7α-hydroxy-17-oxo-5α-androst-3β-yl acetate","","- C21 H31 N3 O4 -","- C21 H31 N3 O4 -","- C42 H62 N6 O8 -","2","1","SK1730","Paixão, J. I. F.; Salvador, J. A. R.; Paixão, J. A.; Beja, A. M.; Ramos Silva, M.; Gonsalves, A. M. d'A. R.","6β-Azido-7α-hydroxy-17-oxo-5α-androstan-3β-yl acetate","Acta Crystallographica Section C","2004","60","9","o630","o632","10.1107/S0108270104011989","","","0.71073","MoKα","","0.0699","0.0474","","","0.1335","0.1481","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014228","10.7937","0.0004","11.3989","0.0002","14.2448","0.0005","79.993","0.002","83.349","0.0014","89.852","0.002","1714.07","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","rac-3-(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-phenyl-thiazolidin-4-one","","- C19 H18 N4 O S -","- C19 H18 N4 O S -","- C76 H72 N16 O4 S4 -","4","2","SK1731","Low, John N.; Cobo, Justo; Insuasty, Braulio; Orozco, Fabián; Glidewell, Christopher","<i>rac</i>-3-(5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenylthiazolidin-4-one: sheets built from N—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","7","o486","o488","10.1107/S0108270104011540","","","0.71073","MoKα","","0.0918","0.065","","","0.1655","0.1836","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014229","8.963","0.001","16.303","0.001","16.673","0.001","90","","104.784","0.007","90","","2355.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triphenylphosphine oxide‒1-naphthoic acid (1/1)","","- C29 H23 O3 P -","- C29 H23 O3 P -","- C116 H92 O12 P4 -","4","1","SK1732","Khalid A. Al-Farhan","Triphenylphosphine oxide‒1-naphthoic acid (1/1)","Acta Crystallographica Section C","2004","60","7","o531","o532","10.1107/S010827010401279X","","","0.71073","MoKα","","0.066","0.0412","","","0.0978","0.1111","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014230","21.819","0.0005","8.4596","0.0002","23.1792","0.0005","90","","94.514","0.0014","90","","4265.15","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","S-Ethyl N-benzoyldithiocarbamate","","- C10 H11 N O S2 -","- C10 H11 N O S2 -","- C160 H176 N16 O16 S32 -","16","2","SK1733","Low, John N.; Cobo, Justo; Insuasty, Henry; Estrada, Martin; Cortés, Edward; Glidewell, Christopher","<i>S</i>-Ethyl <i>N</i>-benzoyldithiocarbamate: two independent hydrogen-bonded <i>R</i>_<b>2</b>^<b>2</b>(8) dimers of different symmetry linked into chains by a C—H···π(arene) interaction","Acta Crystallographica Section C","2004","60","7","o483","o485","10.1107/S0108270104012090","","","0.71073","MoKα","","0.0632","0.0374","","","0.0803","0.0886","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014231","9.1392","0.0004","11.8931","0.0003","13.6025","0.0005","105.725","0.002","92.472","0.002","101.934","0.002","1384.67","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","{2-[(benzoylmethylene)diphenyl-λ^5^-phosphino]ethyl}diphenylphosphine monohydrate","","- C34 H32 O2.68 P2 -","- C34 H32 O2.678 P2 -","- C68 H64 O5.356 P4 -","2","1","SK1734","Mohamed, E. Mothi; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Partially oxidized {2-[(benzoylmethylene)diphenyl-λ^5^-phosphino]ethyl}diphenylphosphine as a monohydrate","Acta Crystallographica Section C","2004","60","7","o475","o478","10.1107/S0108270104012211","","","0.71073","MoKα","","0.0824","0.0544","","","0.1144","0.1433","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014232","7.4467","0.0001","5.8383","0.0001","7.99","0.0001","90","","93.46","0.01","90","","346.741","0.009","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","diacetato-palladat(II)","catena-poly[palladium(II)-di-μ-acetato-κ^4^O:O']","","- C4 H6 O4 Pd -","- C4 H6 O4 Pd -","- C8 H12 O8 Pd2 -","2","0.5","SK1735","Kirik, Sergei D.; Mulagaleev Ruslan F.; Blokhin Alexander I.","[Pd(CH~3~COO)~2~]~<i>n~</i> from X-ray powder diffraction data","Acta Crystallographica Section C","2004","60","9","m449","m450","10.1107/S0108270104016129","","","1.5418","CuKα","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014233","3.7492","0.0013","6.9376","0.0014","23.099","0.008","90","","90.118","0.011","90","","600.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Fluorophenyl)-4-nitrophthalimide","","- C14 H7 F N2 O4 -","- C14 H7 F N2 O4 -","- C28 H14 F2 N4 O8 -","2","1","SK1736","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","<i>N</i>-(4-Fluorophenyl)-4-nitrophthalimide: tripartite hydrogen-bonded sheets","Acta Crystallographica Section C","2004","60","7","o511","o513","10.1107/S0108270104013575","","","0.71073","MoKα","","0.1188","0.0701","","","0.1343","0.1539","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014234","5.898","0.0005","14.8324","0.0012","10.7092","0.0008","90","","101.974","0.004","90","","916.47","0.13","120","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-2-thiazoline","","- C3 H6 N2 S -","- C3 H6 N2 S -","- C24 H48 N16 S8 -","8","2","SK1737","Daniel E. Lynch","2-Amino-2-thiazoline and its 1:1 organic salt with 2-naphthoxyacetic acid","Acta Crystallographica Section C","2004","60","9","o677","o679","10.1107/S0108270104015604","","","0.71073","MoKα","","0.1293","0.0607","","","0.1328","0.1602","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014235","8.3669","0.0002","6.3707","0.0001","26.3457","0.0006","90","","92.1992","0.0009","90","","1403.27","0.05","120","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-2-thiazolium 2-naphthoxyacetate","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","SK1737","Daniel E. Lynch","2-Amino-2-thiazoline and its 1:1 organic salt with 2-naphthoxyacetic acid","Acta Crystallographica Section C","2004","60","9","o677","o679","10.1107/S0108270104015604","","","0.71073","MoKα","","0.0608","0.0458","","","0.112","0.121","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014236","10.6248","0.0008","8.6055","0.0005","13.0135","0.0009","90","","92.977","0.004","90","","1188.24","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate","","- C10 H16 N2 O2 S -","- C10 H16 N2 O2 S -","- C40 H64 N8 O8 S4 -","4","1","SK1738","Lynch, Daniel E.; McClenaghan, Ian","Ethyl 2-amino-4-<i>tert</i>-butyl-1,3-thiazole-5-carboxylate and 6-methylimidazo[2,1-<i>b</i>]thiazole‒2-amino-1,3-thiazole (1/1)","Acta Crystallographica Section C","2004","60","8","o592","o594","10.1107/S0108270104015471","","","0.71073","MoKα","","0.0568","0.041","","","0.0986","0.1063","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014237","6.9195","0.0002","9.186","0.0002","9.6953","0.0003","69.5204","0.0017","71.4823","0.0016","74.277","0.0017","538.48","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","6-Methylimidazo[2,1-b]thiazole 2-amino-1,3-thiazole","","- C9 H10 N4 S2 -","- C9 H10 N4 S2 -","- C18 H20 N8 S4 -","2","1","SK1738","Lynch, Daniel E.; McClenaghan, Ian","Ethyl 2-amino-4-<i>tert</i>-butyl-1,3-thiazole-5-carboxylate and 6-methylimidazo[2,1-<i>b</i>]thiazole‒2-amino-1,3-thiazole (1/1)","Acta Crystallographica Section C","2004","60","8","o592","o594","10.1107/S0108270104015471","","","0.71073","MoKα","","0.0449","0.0399","","","0.1013","0.105","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014238","7.707","0.0001","10.708","0.0002","12.308","0.0002","94.59","0.0007","104.117","0.0007","110.116","0.0007","909.86","0.03","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","(Z)-2-(1-Benzenesulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","","- C22 H20 N2 O3 S -","- C22 H20 N2 O3 S -","- C44 H40 N4 O6 S2 -","2","1","SK1739","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1-Phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one and (<i>Z</i>)-(<i>S</i>)-2-(1-phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","Acta Crystallographica Section C","2004","60","9","o659","o661","10.1107/S0108270104015847","","","0.71073","MoKα","","0.0384","0.0339","","","0.0866","0.0897","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014239","6.13","0.0001","12.95","0.0002","23.68","0.0004","90","","90","","90","","1879.8","0.05","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(1-Benzenesulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C88 H88 N8 O12 S4 -","4","1","SK1739","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1-Phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one and (<i>Z</i>)-(<i>S</i>)-2-(1-phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","Acta Crystallographica Section C","2004","60","9","o659","o661","10.1107/S0108270104015847","","","0.71073","MoKα","","0.0464","0.0378","","","0.0899","0.094","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014240","21.137","0.004","9.1906","0.0016","32.459","0.006","90","","95.746","0.003","90","","6274","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dimethyl 2-(4-bromophenyl)-10,11-dimethoxy-2,3,7,8-tetrahydrospiro[6- azacyclohepta[a]isoquinoline-3,9'-fluorene]-4,5-dicarboxylate","","- C38 H32 Br N O6 -","- C38 H32 Br N O6 -","- C304 H256 Br8 N8 O48 -","8","1","SK1741","Feng, Li; Li, Zhi-Ming; Chen, Zhen-Xia; Tan, Yong-Sheng; Weng, Lin-Hong; Tao, Feng-Gang","Dimethyl 2-(4-bromophenyl)-10,11-dimethoxy-2,3,7,8-tetrahydrospiro[azepino[2,1-<i>a</i>]isoquinoline-3,9'-fluorene]-4,5-dicarboxylate","Acta Crystallographica Section C","2004","60","9","o680","o681","10.1107/S0108270104015860","","","0.71073","MoKα","","0.0946","0.0451","","","0.0799","0.0918","","","","","","0.834","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014241","9.2382","0.0008","10.3054","0.0008","10.3184","0.0009","62.72","0.004","83.098","0.004","70.531","0.005","822.54","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[h]pyrazolo[3,2-b]quinazoline","","- C21 H16 Cl N3 -","- C21 H16 Cl N3 -","- C42 H32 Cl2 N6 -","2","1","SK1742","Low, John N.; Cobo, Justo; Quiroga, Jaime; Portilla, Jaime; Glidewell, Christopher","10-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[<i>h</i>]pyrazolo[5,1-<i>b</i>]quinazoline and 2-(4-chlorophenyl)-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline: isomeric molecules linked into hydrogen-bonded dimers or π-stacked chains","Acta Crystallographica Section C","2004","60","8","o604","o607","10.1107/S0108270104015616","","","0.71073","MoKα","","0.1399","0.065","","","0.1236","0.1525","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014242","7.0098","0.0003","15.0306","0.0007","17.006","0.0008","111.492","0.002","101.406","0.003","97.981","0.003","1589.81","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Chlorophenyl)-5-methyl-6,7-dihydrobenzo[e]pyrazolo[2,3-b]quinazoline","","- C21 H16 Cl N3 -","- C21 H16 Cl N3 -","- C84 H64 Cl4 N12 -","4","2","SK1742","Low, John N.; Cobo, Justo; Quiroga, Jaime; Portilla, Jaime; Glidewell, Christopher","10-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[<i>h</i>]pyrazolo[5,1-<i>b</i>]quinazoline and 2-(4-chlorophenyl)-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline: isomeric molecules linked into hydrogen-bonded dimers or π-stacked chains","Acta Crystallographica Section C","2004","60","8","o604","o607","10.1107/S0108270104015616","","","0.71073","MoKα","","0.1358","0.0605","","","0.1264","0.152","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014243","7.5373","0.0005","15.0354","0.0015","11.6624","0.0012","90","","106.811","0.005","90","","1265.2","0.2","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","rac-1-phenylethanaminium rac-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.0505","0.0454","","","0.1171","0.1209","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014244","6.4227","0.0005","13.5815","0.001","7.5439","0.0003","90","","108.665","0.004","90","","623.44","0.07","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-phenylethanaminium (S)-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.0394","0.0358","","","0.091","0.0943","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014245","6.335","0.0002","13.7876","0.0006","7.5572","0.0002","90","","107.907","0.002","90","","628.1","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-phenylethanaminium (S)-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.036","0.0322","","","0.0753","0.0781","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014246","11.99","0.003","11.814","0.003","22.606","0.006","90","","90","","90","","3202.1","1.4","102","","102","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Hexamethylenetetramine‒rac-trans-1,2-cyclohexanedicarboxylic acid (1:1)","","- C14 H24 N4 O4 -","- C14 H24 N4 O4 -","- C112 H192 N32 O32 -","8","","SK1744","Venkatraman, Ramaiyer; Ray, Paresh Chandra; Fronczek, Frank R.","The 1:1 adduct of hexamethylenetetramine (HMT) with racemic <i>trans</i>-1,2-cyclohexanedicarboxylic acid (CDA)","Acta Crystallographica Section C","2004","60","9","o633","o635","10.1107/S0108270104015963","","","0.71073","MoKα","","0.053","0.041","","","0.092","0.097","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014247","23.3764","0.0008","37.1079","0.0012","7.7091","0.0002","90","","90","","90","","6687.3","0.4","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione, orthorhombic polymorph","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C336 H240 N48 O48 -","16","1","SK1750","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Orthorhombic and monoclinic polymorphs of 1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione at 120K: chains and sheets formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","9","o682","o685","10.1107/S0108270104017342","","","0.71073","MoKα","","0.0419","0.0344","","","0.078","0.0823","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014248","15.6526","0.0003","13.6819","0.0003","9.6454","0.0002","90","","126.035","0.002","90","","1670.39","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione, monoclinic polymorph","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","0.5","SK1750","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Orthorhombic and monoclinic polymorphs of 1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione at 120K: chains and sheets formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","9","o682","o685","10.1107/S0108270104017342","","","0.71073","MoKα","","0.0584","0.0495","","","0.1175","0.1236","","","","","","1.173","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014249","3.6675","0.0002","13.938","0.001","28.796","0.002","90","","90","","90","","1471.98","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C56 H56 N24 O16 -","8","2","SK1751","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded dimers in 2-nitrobenzaldehyde hydrazone and a three-dimensional hydrogen-bonded framework in 3-nitrobenzaldehyde hydrazone","Acta Crystallographica Section C","2004","60","9","o686","o689","10.1107/S0108270104018323","","","0.71073","MoKα","","0.111","0.0524","","","0.0964","0.1129","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014250","3.7231","0.0002","10.22","0.0007","19.4119","0.0012","90","","90","","90","","738.62","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C28 H28 N12 O8 -","4","1","SK1751","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded dimers in 2-nitrobenzaldehyde hydrazone and a three-dimensional hydrogen-bonded framework in 3-nitrobenzaldehyde hydrazone","Acta Crystallographica Section C","2004","60","9","o686","o689","10.1107/S0108270104018323","","","0.71073","MoKα","","0.0455","0.0373","","","0.0881","0.092","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014251","6.2258","0.0015","13.66","0.003","8.656","0.002","90","","99.807","0.004","90","","725.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N':N,N'-bis(ethylene)dioxamate","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","SK1752","Martínez-Martínez, Francisco J.; Rojas-Pérez, Rodrigo E.; García-Báez, Efrén V.; Höpfl, Herbert; Padilla-Martínez, Itzia I.","Diethyl piperazine-1,4-diyldioxalate","Acta Crystallographica Section C","2004","60","9","o699","o701","10.1107/S0108270104018682","","","0.71073","MoKα","","0.0541","0.0507","","","0.1153","0.1175","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014252","6.7451","0.0006","7.7744","0.0007","8.0605","0.0007","88.794","0.002","84.323","0.002","88.052","0.002","420.3","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[μ-dicyanamido-2':1κ^2^N^1^:N^5^-[[μ-N,N'-bis(3- aminopropyl)oxamidato-κ^6^N,N',O:N'',N''',O']dicopper(II)]-μ-dicyanamido- 2:1'κ^2^N^1^:N^5^]","","- C12 H16 Cu2 N10 O2 -","- C12 H16 Cu2 N10 O2 -","- C12 H16 Cu2 N10 O2 -","1","0.5","SQ1157","Zhang, Bing; Kou, Hui-Zhong; He, Yi; Wang, Hong-Gen; Cui, Ai-Li","[Cu(C~8~H~16~N~4~O~2~)~0.5~{N(CN)~2~}]~<i>n~</i>, a novel ladder-like coordination polymer","Acta Crystallographica Section C","2004","60","7","m341","m342","10.1107/S0108270104011011","","","0.71073","MoKα","","0.0434","0.037","","","0.0898","0.0924","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014253","4.0079","0.001","9.366","0.002","19.787","0.005","90","","90","","90","","742.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-chloroacetophenone","","- C8 H7 Cl O -","- C8 H7 Cl O -","- C32 H28 Cl4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.045","0.034","","","0.076","0.08","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014254","18.635","0.005","6.9554","0.0017","5.9035","0.0015","90","","96.36","0.01","90","","760.5","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-bromoacetophenone","","- C8 H7 Br O -","- C8 H7 Br O -","- C32 H28 Br4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.037","0.032","","","0.074","0.077","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014255","19.425","0.005","7.049","0.002","5.8769","0.0015","90","","94.41","0.01","90","","802.3","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","p-iodoacetophenone polymorph A","","- C8 H7 I O -","- C8 H7 I O -","- C32 H28 I4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.024","0.023","","","0.059","0.06","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014256","9.777","0.002","8.232","0.002","20.089","0.005","90","","90","","90","","1616.8","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","p-iodoacetophenone polymorph B","","- C8 H7 I O -","- C8 H7 I O -","- C64 H56 I8 O8 -","8","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.049","0.026","","","0.059","0.07","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014257","13.925","0.003","15.099","0.003","12.581","0.003","90","","114","0.03","90","","2416.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[aquadipyridinenickel(II)]-μ-2,2'-dithiodibenzoato- κ^3^O,O':O'']","","- C24 H20 N2 Ni O5 S2 -","- C24 H20 N2 Ni O5 S2 -","- C96 H80 N8 Ni4 O20 S8 -","4","1","SQ1161","Zhao, Wen-Na; Zou, Jian-Wei; Yu, Qing-Shen","A one-dimensional ladder-like coordination polymer derived from chains formed <i>via</i> hydrogen bonds: <i>catena</i>-poly[[aquadipyridinenickel(II)]-μ-2,2'-dithiodibenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2004","60","9","m443","m444","10.1107/S0108270104017469","","","0.71073","MoKα","","0.0366","0.028","","","0.074","0.0824","","","","","","1.07","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2014258","7.863","0.0016","8.596","0.0017","23.227","0.005","90","","96.64","0.03","90","","1559.4","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4H-pyran-3-carbonitrile","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","SQ1162","Nesterova, Svitlana V.; Wiedenfeld, David J.; Nesterov, Vladimir N.","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carbonitrile, methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate and <i>tert</i>-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section C","2004","60","8","o559","o563","10.1107/S0108270104013812","","","0.71073","MoKα","","0.0776","0.0435","","","0.107","0.1228","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014259","8.315","0.0017","10.283","0.002","10.793","0.002","112.38","0.03","96.66","0.03","103.83","0.03","806.3","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylate","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","SQ1162","Nesterova, Svitlana V.; Wiedenfeld, David J.; Nesterov, Vladimir N.","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carbonitrile, methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate and <i>tert</i>-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section C","2004","60","8","o559","o563","10.1107/S0108270104013812","","","0.71073","MoKα","","0.1447","0.0549","","","0.1371","0.1718","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014260","8.494","0.0017","10.938","0.002","11.844","0.002","104.69","0.03","109.84","0.03","102.3","0.03","945.6","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","tert-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylate","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","SQ1162","Nesterova, Svitlana V.; Wiedenfeld, David J.; Nesterov, Vladimir N.","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carbonitrile, methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate and <i>tert</i>-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section C","2004","60","8","o559","o563","10.1107/S0108270104013812","","","0.71073","MoKα","","0.1246","0.0585","","","0.1533","0.1867","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014261","8.2542","0.0002","8.2542","0.0002","6.9963","0.0002","90","","90","","120","","412.809","0.018","120","2","120","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","triethylammonium chloride","Triethylammonium chloride","","- C6 H16 Cl N -","- C6 H16 Cl N -","- C12 H32 Cl2 N2 -","2","0.333333","SQ1163","Churakov, Andrei V.; Howard, Judith A. K.","Redetermination of triethylammonium chloride in the space group <i>P</i>31<i>c</i>","Acta Crystallographica Section C","2004","60","8","o557","o558","10.1107/S0108270104014209","","","0.71073","MoKα","","0.0194","0.0192","","","0.0467","0.0468","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014262","7.51","0.0003","10.0003","0.0004","22.0821","0.0006","84.307","0.001","88.084","0.001","71.02","","1560.51","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(4,4'-bipyridine-κN)bis(hydrogen phthlato)-κ^2^O,O';κO-zinc(II)","","- C36 H26 N4 O8 Zn -","- C36 H26 N4 O8 Zn -","- C72 H52 N8 O16 Zn2 -","2","1","SQ1166","Tang, En; Dai, Yu-Mei; Lin, Shen","Bis(4,4'-bipyridine-κ<i>N</i>)bis(hydrogen phthalato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-zinc(II)","Acta Crystallographica Section C","2004","60","9","m433","m434","10.1107/S0108270104017184","","","0.71073","MoKα","","","0.0629","","","0.1513","0.1772","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014263","6.0335","0.0001","9.4122","0.0002","18.7857","0.0004","81.175","0.001","89.271","0.001","80.703","0.002","1040.26","0.04","243","2","243","2","","","","","","","","3","P 1","P 1","1","","1-(11'-Phenylundecanoyl)-3-hydroxycyclohexane-2,6-dione","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","2","SX1132","Castro, Ernesto; Cuca Suarez, Luis E.; Siengalewicz, Peter; Gutmann, Rene; Czermak, Georg; Brueggeller, Peter","3,6-Dihydroxy-2-(11-phenylundecanoyl)cyclohex-2-en-1-one from <i>Virola venosa</i> bark","Acta Crystallographica Section C","2004","60","7","o467","o469","10.1107/S0108270104010650","","","0.71073","MoKα","","0.0468","0.0387","","","0.1012","0.107","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014264","11.1447","0.0016","10.7602","0.0014","10.5103","0.0015","90","","106.775","0.002","90","","1206.8","0.3","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-4-(phenyldiazenyl)phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","SX1136","Soylu, Serkan; Kocaokutgen, Hasan; Gür, Mahmut; Lörnnecke, Peter","2,6-Dimethyl-4-(phenyldiazenyl)phenol","Acta Crystallographica Section C","2004","60","7","o498","o500","10.1107/S0108270104011308","","","0.71073","MoKα","","0.1003","0.0685","","","0.1531","0.1704","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014265","4.799","0.002","13.601","0.003","11.014","0.003","90","","100.49","0.03","90","","706.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Deaza-7-(propynyl)-2'-deoxyguanosine","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C28 H32 N8 O8 -","2","1","SX1139","Seela, Frank; Shaikh, Khalil; Eickmeier, Henning","7-Deaza-2'-deoxy-7-propynylguanosine","Acta Crystallographica Section C","2004","60","7","o489","o491","10.1107/S0108270104011552","","","0.71073","MoKα","","0.1012","0.0629","","","0.1503","0.1721","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014266","5.383","0.004","6.315","0.004","15.588","0.01","90","","98.623","0.006","90","","523.9","0.6","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-valine","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C16 H32 N4 O8 -","2","1","SX1142","Moen, Anders; Frøseth, Morten; Görbitz, Carl Henrik; Dalhus, Bjørn","A non-planar peptide bond in <small>L</small>-seryl-<small>L</small>-valine","Acta Crystallographica Section C","2004","60","8","o564","o565","10.1107/S0108270104014325","","","0.71073","MoKα","","0.0305","0.0293","","","0.0744","0.0748","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014267","10.732","0.002","6.268","0.002","15.043","0.002","90","","101","0.01","90","","993.3","0.4","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co N2 O6 -","- C22 H20 Co N2 O6 -","- C44 H40 Co2 N4 O12 -","2","0.5","TA1443","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate","Acta Crystallographica Section C","2004","60","7","m345","m347","10.1107/S0108270104012636","","","0.7107","MoKα","","","0.0324","","","","0.0915","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014268","10.638","0.002","6.277","0.002","15.068","0.002","90","","101.15","0.01","90","","987.2","0.4","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 Ni O6 -","- C22 H20 N2 Ni O6 -","- C44 H40 N4 Ni2 O12 -","2","0.5","TA1443","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate","Acta Crystallographica Section C","2004","60","7","m345","m347","10.1107/S0108270104012636","","","0.7107","MoKα","","","0.0345","","","","0.096","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014269","10.265","0.002","6.332","0.002","15.764","0.001","90","","96.879","0.009","90","","1017.3","0.4","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cu N2 O6 -","- C22 H20 Cu N2 O6 -","- C44 H40 Cu2 N4 O12 -","2","0.5","TA1443","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate","Acta Crystallographica Section C","2004","60","7","m345","m347","10.1107/S0108270104012636","","","0.7107","MoKα","","","0.0318","","","","0.0939","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014270","16.9011","0.001","12.9824","0.0008","18.3248","0.0011","90","","90","","90","","4020.8","0.4","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28 H46 Cl4 Fe2 N12 O4 P2 -","- C28 H46 Cl4 Fe2 N12 O4 P2 -","- C112 H184 Cl16 Fe8 N48 O16 P8 -","4","0.5","TA1445","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)phosphine-κ^3^<i>N</i>^3^]iron(II) tetrachloroferrate(II) methanol tetrasolvate (<i>ca</i> 153K) and bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)methanol-κ^3^<i>N</i>^3^]iron(III) bis[tetrachloroferrate(III)] chloride (redetermination, <i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m311","m313","10.1107/S0108270104010868","","","0.71073","MoKα","","0.08","0.04","","0.049","","0.042","","","0.891","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014271","9.7792","0.0009","14.8534","0.001","13.3529","0.0017","90","","93.835","0.002","90","","1935.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl9 Fe3 N12 O2 -","- C26 H32 Cl9 Fe3 N12 O2 -","- C52 H64 Cl18 Fe6 N24 O4 -","2","0.5","TA1445","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)phosphine-κ^3^<i>N</i>^3^]iron(II) tetrachloroferrate(II) methanol tetrasolvate (<i>ca</i> 153K) and bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)methanol-κ^3^<i>N</i>^3^]iron(III) bis[tetrachloroferrate(III)] chloride (redetermination, <i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m311","m313","10.1107/S0108270104010868","","","0.71073","MoKα","","0.056","0.037","","0.075","","0.067","","","0.993","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014272","9.8803","0.0008","16.329","0.001","12.246","0.001","90","","101.953","0.002","90","","1932.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(methanol-κO)[(methoxy)tris(1-methyl-1H-imidazol-2-yl)methane- κ^2^N^3^]iron(II)","","- C15 H22 Cl2 Fe N6 O2 -","- C15 H22 Cl2 Fe N6 O2 -","- C60 H88 Cl8 Fe4 N24 O8 -","4","1","TA1446","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Dichloro(methanol-κ<i>O</i>)[(methoxy)tris(1-methyl-1<i>H</i>-imidazol-2-yl)methane-κ^2^<i>N</i>^3^]iron(II) (<i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m314","m315","10.1107/S010827010401087X","","","0.71073","MoKα","","0.092","0.054","","0.152","","0.157","","","1.271","","","1.111","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014273","14.65","0.002","9.134","0.001","16.18","0.002","90","","102.078","0.003","90","","2117.2","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 Fe N8 O2 -","- C18 H20 Cl2 Fe N8 O2 -","- C72 H80 Cl8 Fe4 N32 O8 -","4","1","TA1447","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)","Acta Crystallographica Section C","2004","60","7","m316","m319","10.1107/S0108270104010881","","","0.71073","MoKα","","0.066","0.044","","0.096","","0.082","","","1.047","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014274","8.358","0.003","9.215","0.003","10.65","0.004","93.175","0.005","108.871","0.004","113.923","0.004","692.8","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl4 Fe2 N8 O4 -","- C20 H20 Cl4 Fe2 N8 O4 -","- C20 H20 Cl4 Fe2 N8 O4 -","1","0.5","TA1447","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)","Acta Crystallographica Section C","2004","60","7","m316","m319","10.1107/S0108270104010881","","","0.71073","MoKα","","0.091","0.067","","0.155","","0.146","","","0.958","","","1.057","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014275","21.3036","0.001","13.9936","0.0007","24.4634","0.001","90","","104.23","0.001","90","","7069.1","0.6","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H41 Cl2 Fe N12 O8.5 -","- C27 H41 Cl2 Fe N12 O8.5 -","- C216 H328 Cl16 Fe8 N96 O68 -","8","1","TA1447","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)","Acta Crystallographica Section C","2004","60","7","m316","m319","10.1107/S0108270104010881","","","0.71073","MoKα","","0.095","0.062","","0.138","","0.13","","","1.384","","","1.22","","","","has coordinates,has Fobs","199470","2020-10-21","18:00:00",""
"2014276","8.428","0.001","10.284","0.002","17.669","0.003","90","","96.294","0.002","90","","1522.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[tris(pyridin-2-yl)methanol-κ^2^N]palladium(II) dinitrate","","- C32 H26 N8 O8 Pd -","- C32 H26 N8 O8 Pd -","- C64 H52 N16 O16 Pd2 -","2","0.5","TA1448","Canty, Allan J.; Skelton, Brian W.; Traill, Peter R.; White, Allan H.","Bis[tris(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>N</i>']palladium(II) dinitrate at 150 and 298K","Acta Crystallographica Section C","2004","60","7","m305","m307","10.1107/S0108270104010893","","","0.71073","MoKα","","0.068","0.048","","0.178","","0.117","","","1.357","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014277","8.43","0.003","10.431","0.004","17.67","0.02","90","","95.54","0.06","90","","1546.5","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[tris(pyridin-2-yl)methanol-κ^2^N]palladium(II) dinitrate","","- C32 H26 N8 O8 Pd -","- C32 H26 N8 O8 Pd -","- C64 H52 N16 O16 Pd2 -","2","0.5","TA1448","Canty, Allan J.; Skelton, Brian W.; Traill, Peter R.; White, Allan H.","Bis[tris(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>N</i>']palladium(II) dinitrate at 150 and 298K","Acta Crystallographica Section C","2004","60","7","m305","m307","10.1107/S0108270104010893","","","0.71073","MoKα","","0.114","0.056","","0.213","","0.145","","","1.585","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014278","29.194","0.002","7.2253","0.0005","18.2715","0.0013","90","","110.524","0.001","90","","3609.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Quinolinium 5-sulfosalicylate trihydrate","Quinolinium 3-carboxy-4-hydroxybenzenesulfonate trihydrate","","- C16 H19 N O9 S -","- C16 H19 N O9 S -","- C128 H152 N8 O72 S8 -","8","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71073","MoKα","","0.0474","0.0418","","","0.1138","0.1176","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014279","13.236","0.002","10.6515","0.0018","13.549","0.002","90","","119.135","0.003","90","","1668.5","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8-hydroxyquinolinium 5-sulfosalicylate monohydrate","8-hydroxyquinolinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C16 H15 N O8 S -","- C16 H15 N O8 S -","- C64 H60 N4 O32 S4 -","4","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71069","MoKα","","0.053","0.0413","","","0.1063","0.1105","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014280","6.9047","0.0009","9.2914","0.0012","14.5106","0.0019","73.24","0.002","84.138","0.003","79.889","0.002","876.2","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","8-aminoquinolinium 5-sulfosalicylate dihydrate","8-aminoquinolinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate","","- C16 H18 N2 O8 S -","- C16 H18 N2 O8 S -","- C32 H36 N4 O16 S2 -","2","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71069","MoKα","","0.0535","0.0405","","","0.0922","0.0976","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014281","8.3173","0.001","11.2674","0.0014","26.245","0.003","90","","94.284","0.002","90","","2452.7","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Quinolinium-2-carboxylic acid 5-sulfosalicylate: quinoline-2-carboxylic acid adduct","Quinolinium-2-carboxylic acid 3-carboxy-4-hydroxybenzenesulfonate 2-carboxylatoquinolinium","","- C27 H20 N2 O10 S -","- C27 H20 N2 O10 S -","- C108 H80 N8 O40 S4 -","4","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71073","MoKα","","0.045","0.0381","","","0.0981","0.1023","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014282","9.967","0.004","9.973","0.003","14.13","0.005","96.412","0.006","110.196","0.006","95.1","0.006","1297.6","0.8","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O -","- C15 H26 O -","- C60 H104 O4 -","4","2","TA1451","Dachriyanus; Amri Bakhtiar; Sargent, Melvyn V.; Skelton, Brian W.; White, Allan H.","<i>rac</i>-Eudesm-7(11)-en-4-ol","Acta Crystallographica Section C","2004","60","7","o503","o504","10.1107/S0108270104012922","","","0.71073","MoKα","","0.112","0.067","","0.168","","0.168","","","1.06","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014283","20.449","0.002","20.449","0.002","9.75","0.001","90","","90","","120","","3530.9","0.6","150","2","150","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C162 H144 N36 -","18","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.028","0.028","","0.055","","0.056","","","1.082","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014284","8.222","0.002","6.026","0.001","16.948","0.004","90","","93.283","0.003","90","","838.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.06","0.043","","0.093","","0.085","","","1.013","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014285","10.346","0.001","9.222","0.002","10.803","0.002","90","","90","","90","","1030.7","0.3","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.067","0.055","","0.121","","0.067","","","1.071","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014286","13.597","0.003","10.404","0.002","14.735","0.003","90","","90","","90","","2084.5","0.7","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","9-(1-naphthyl)-9H-xanthen-9-ol‒dioxane (1/1) clathrate","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","TA1455","Jacobs, Ayesha A.; Nassimbeni, Luigi R.; Taljaard, Benjamin","Desorption kinetics of a xanthenol‒dioxane clathrate","Acta Crystallographica Section C","2004","60","9","o668","o670","10.1107/S0108270104017792","","","0.71073","MoKα","","0.0354","0.0302","","","0.0739","0.076","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014287","9.817","0.002","10.797","0.005","13.523","0.007","72.85","0.04","88.21","0.03","63.55","0.03","1217.8","1","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","Chloro(phenyl)(1H-pyrazole-κN^2^)(triphenylphosphine)palladium(II)","","- C27 H24 Cl N2 P Pd -","- C27 H24 Cl N2 P Pd -","- C54 H48 Cl2 N4 P2 Pd2 -","2","1","TA1458","Canty, Allan J.; Skelton, Brian W.; White, Allan, H.","Chloro(phenyl)(1<i>H</i>-pyrazole-κ<i>N</i>^2^)(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2004","60","8","m405","m406","10.1107/S010827010401491X","","","0.71073","MoKα","","0.038","0.035","","0.101","","0.076","","","1.278","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014288","16.03","0.004","11.726","0.003","7.7024","0.0015","90","","100.298","0.017","90","","1424.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium orthanilate","8-hydroxyquinolinium 2-aminobenzenesulfonate","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0967","0.0456","","","0.1171","0.1631","","","","","","0.895","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014289","15.857","0.004","17.667","0.007","6.977","0.004","90","","95.78","0.04","90","","1944.6","1.4","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate sesquihydrate","","","- C18 H16 I N2 O6.5 S -","- C18 H16 I N2 O6.5 S -","- C72 H64 I4 N8 O26 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0686","0.0486","","","0.1373","0.1576","","","","","","0.894","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014290","6.644","0.001","8.042","0.002","9.75","0.002","104.7","0.03","107.89","0.03","101.16","0.03","458.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","magnesium hydrogen arsenate","heptamagnesium bis(arsenate) tetrakis(hydrogenarsenate)","","- As6 H4 Mg7 O24 -","- As6 H4 Mg7 O24 -","- As6 H4 Mg7 O24 -","1","0.5","TA1465","Kolitsch, Uwe; Bartu, Petr","Mg~7~(AsO~4~)~2~(HAsO~4~)~4~: a new magnesium arsenate with a very strong hydrogen bond","Acta Crystallographica Section C","2004","60","9","i94","i96","10.1107/S010827010401813X","","","0.71073","MoKα","","0.0297","0.0252","","","0.0598","0.0614","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014291","8.5404","0.0006","7.3459","0.0005","18.3735","0.0011","90","","103.045","0.002","90","","1122.95","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[μ-nicotinato-bis[dioxomolybdenum(VI)]-di-μ~3~-oxo] monohydrate","","- C6 H7 Mo2 N O9 -","- C6 H7 Mo2 N O9 -","- C24 H28 Mo8 N4 O36 -","4","1","TA1466","Shu-Mei Chen; Can-Zhong Lu; Ya-Qin Yu; Quan-Zheng Zhang; Xiang He","<i>catena</i>-Poly[[[μ-pyridinium-3-carboxylato-bis[dioxomolybdenum(VI)]]-di-μ~3~-oxo] monohydrate]","Acta Crystallographica Section C","2004","60","9","m437","m439","10.1107/S0108270104016944","","","0.71073","MoKα","","","0.0411","","","0.1054","0.1258","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014292","6.899","0.0009","6.9441","0.0006","9.6383","0.001","85.517","0.008","71.498","0.009","67.037","0.008","402.63","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexa-μ~2~-aqua-μ~6~oxalato-dibarium(II) diisothiocyanate diisothiocyanate","","- C4 H12 Ba2 N2 O10 S2 -","- C4 H12 Ba2 N2 O10 S2 -","- C4 H12 Ba2 N2 O10 S2 -","1","0.5","TR1090","Peresypkina, Eugenia V.; Virovets, Alexander V.; Akhmerkina, Jeanne V.; Serezhkina, Larisa B.","{[Ba~2~(C~2~O~4~)(H~2~O)~6~](NCS)~2~}~<i>n~</i>: a layered mixed-anion barium oxalate","Acta Crystallographica Section C","2004","60","7","m355","m356","10.1107/S0108270104010339","","","0.71073","MoKα","","0.0461","0.0396","","","0.1253","0.1568","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014293","8.1968","0.0012","12.39","0.002","16.409","0.005","90","","91.23","0.02","90","","1666.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,6-Bis(2-pyridyl)di-1,2,4-triazolo[3,4-a:4',3'-c]phthalazine","","- C20 H12 N8 -","- C20 H12 N8 -","- C80 H48 N32 -","4","1","TR1093","Chang, Wen-Fu; Wen, Yuh-Sheng; Liu, Ling-Kang","3,6-Bis(2-pyridyl)di-1,2,4-triazolo[3,4-<i>a</i>:4',3'-<i>c</i>]phthalazine","Acta Crystallographica Section C","2004","60","9","o665","o667","10.1107/S0108270104016737","","","0.71073","MoKα","","0.059","0.0333","","","0.0833","0.0949","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014294","20.224","0.005","4.991","0.005","13.365","0.005","90","","97.727","0.005","90","","1336.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Methoxybenzylamino)purin-3-ium chloride","","- C13 H14 Cl N5 O -","- C13 H14 Cl N5 O -","- C52 H56 Cl4 N20 O4 -","4","1","TR1094","Trávníček, Zdeněk; Popa, Igor; Doležal, Karel","6-(4-Methoxybenzylamino)purin-3-ium chloride","Acta Crystallographica Section C","2004","60","9","o662","o664","10.1107/S0108270104016749","","","0.71073","MoKα","","0.0505","0.0345","","","0.0759","0.0821","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014419","7.2985","0.0015","19.4347","0.0019","12.6638","0.0016","90","","93.02","0.001","90","","1793.8","0.5","295","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 F2 N2 O2 S -","- C21 H14 F2 N2 O2 S -","- C84 H56 F8 N8 O8 S4 -","4","1","AV1196","Özbey, Süheyla; Gökhan, Nesrin","6-(3,4-Difluorobenzoyl)-3-[2-(4-pyridyl)ethyl]-1,3-benzothiazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2004","60","10","o737","o739","10.1107/S0108270104019730","","","0.71073","MoKα","","","0.0408","","","","0.1203","","","","","","1.016","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014420","9.983","0.002","31.58","0.006","10.192","0.002","90","","111.55","0.03","90","","2988.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","zafirlukast monohydrate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide monohydrate","","- C31 H35 N3 O7 S -","- C31 H35 N3 O7 S -","- C124 H140 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.1102","0.0597","","","0.1621","0.1919","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014421","17.002","0.003","11.111","0.002","17.129","0.003","90","","105.94","0.02","90","","3111.4","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","zafirlukast methanol solvate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide methanol solvate","","- C32 H37 N3 O7 S -","- C32 H37 N3 O7 S -","- C128 H148 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.0949","0.0481","","","0.1148","0.138","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014422","17.216","0.003","11.033","0.002","18.258","0.004","90","","109.47","0.03","90","","3269.7","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","zafirlukast ethanol solvate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide ethanol solvate","","- C33 H39 N3 O7 S -","- C33 H39 N3 O7 S -","- C132 H156 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.1523","0.0498","","","0.0962","0.1144","","","","","","0.808","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014423","4.971","0.002","6.558","0.003","17.274","0.008","86.009","0.009","86.729","0.008","72.526","0.008","535.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N^3^,O^4^)cobalt(II) 4,4'-bipyridine solvate","","- C20 H18 Co N6 O10 -","- C20 H18 Co N6 O10 -","- C20 H18 Co N6 O10 -","1","0.5","AV1204","Yu-Ling Wang; Rong Cao; Wen-Hua Bi","<i>trans</i>-Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) 4,4'-bipyridine solvate","Acta Crystallographica Section C","2004","60","12","m609","m611","10.1107/S0108270104024783","","","0.71073","MoKα","","0.0357","0.0342","","","0.0851","0.0864","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014424","8.4069","0.0009","11.71","0.001","8.1075","0.0009","90","","90","","90","","798.14","0.14","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[methylammonium [tris(μ~2~-formato-κ^2^O:O')cobalt(II)]]","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","AV1205","Boča, Miroslav; Ingrid Svoboda; Franz Renz; Hartmut Fuess","Poly[methylammonium tris(μ~2~-formato-κ^2^<i>O</i>:<i>O</i>')cobalt(II)]","Acta Crystallographica Section C","2004","60","12","m631","m633","10.1107/S0108270104025776","","","0.71073","MoKα","","0.0869","0.0494","","","0.1336","0.1595","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014425","29.5645","0.0013","18.0613","0.0007","6.5961","0.0003","90","","90","","90","","3522.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)copper(II)]-di-μ~2~,μ~4~-5-nitro- 1,3-benzenedicarboxylato]","","- C40 H24 N6 Ni2 O13 -","- C40 H24 N6 Ni2 O13 -","- C160 H96 N24 Ni8 O52 -","4","0.5","AV1206","He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan","Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)nickel(II)]]-di-μ~2~,μ~4~-5-nitro-1,3-benzenedicarboxylato]","Acta Crystallographica Section C","2004","60","11","m569","m571","10.1107/S0108270104023431","","","0.71073","MoKα","","0.0526","0.0484","","","0.1051","0.1075","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014426","12.3982","0.0005","7.1029","0.0003","14.8428","0.0006","90","","108.969","0.001","90","","1236.12","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(η^6^-Biphenyl)tricarbonylchromium","","- C15 H10 Cr O3 -","- C15 H10 Cr O3 -","- C60 H40 Cr4 O12 -","4","1","AV1212","Ilia A. Guzei; Curtis J. Czerwinski","(η^6^-Biphenyl)tricarbonylchromium and μ-(η^6^:η^6^)-biphenyl-bis(tricarbonylchromium)","Acta Crystallographica Section C","2004","60","12","m615","m617","10.1107/S0108270104025958","","","0.71073","MoKα","","0.0266","0.025","","","0.0705","0.0719","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014427","10.7256","0.0012","10.6894","0.0012","7.1789","0.0008","90","","104.875","0.002","90","","795.48","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-(η^6^:η^6^)-biphenyl]bis(tricarbonylchromium)","","- C18 H10 Cr2 O6 -","- C18 H10 Cr2 O6 -","- C36 H20 Cr4 O12 -","2","0.5","AV1212","Ilia A. Guzei; Curtis J. Czerwinski","(η^6^-Biphenyl)tricarbonylchromium and μ-(η^6^:η^6^)-biphenyl-bis(tricarbonylchromium)","Acta Crystallographica Section C","2004","60","12","m615","m617","10.1107/S0108270104025958","","","0.71073","MoKα","","0.0344","0.0323","","","0.0892","0.0911","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014428","10.1055","0.0009","11.6854","0.0011","15.7236","0.0014","90","","102.415","0.002","90","","1813.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(pyridine-κN)copper(II)]-μ~3~-5-hydroxyisophthalato-k^3^O:O':O'']","","- C18 H14 Cu N2 O5 -","- C18 H14 Cu N2 O5 -","- C72 H56 Cu4 N8 O20 -","4","1","AV1213","Xin-Yi Cao; Jian Zhang; Yao Kang; Jian-Kai Cheng; Yuan-Gen Yao","Poly[[bis(pyridine-κ<i>N</i>)copper(II)]-μ~3~-5-hydroxyisophthalato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2004","60","12","m654","m656","10.1107/S0108270104027660","","","0.71073","MoKα","","","0.0712","","","0.1699","0.1924","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014429","6.1463","0.0012","6.3856","0.0013","6.3894","0.0013","92.52","0.03","107.65","0.03","108.29","0.03","224.19","0.1","293","2","200","2","","","","","","","","3","P -1","-P 1","2","ν-dysprosium orthoborate","Dysprosium borate","","- B Dy O3 -","- B Dy O3 -","- B4 Dy4 O12 -","4","2","BC1055","Emme, Holger; Huppertz, Hubert","High-pressure synthesis of ν-DyBO~3~","Acta Crystallographica Section C","2004","60","12","i117","i119","10.1107/S0108270104024205","","","0.71073","MoKα","","0.0293","0.0218","","","0.0498","0.0513","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014430","9.1067","0.0011","10.9344","0.0013","10.4425","0.0013","90","","107.602","0.002","90","","991.1","0.2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(3,5-dimethylpyrazole-1-carboxamidine-κ^2^N,N')cobalt(II) dinitrate","","- C12 H24 Co N10 O8 -","- C12 H24 Co N10 O8 -","- C24 H48 Co2 N20 O16 -","2","0.5","BM1571","Jaćimović, Željko K.; Leovac, Vukadin, M.; Mészáros Szécsényi, Katalin; Howard, Judith A. K.; Radosavljević Evans, Ivana","Transition metal complexes with pyrazole-based ligands. XIX. Diaquabis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')metal(II) dinitrate, with metal = Co and Ni","Acta Crystallographica Section C","2004","60","10","m467","m470","10.1107/S0108270104017433","","","0.71073","MoKα","","0.0273","0.0268","","0.062","0.062","0.062","","","","","","0.9832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014431","9.077","0.003","10.866","0.004","10.456","0.003","90","","107.251","0.015","90","","984.9","0.6","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(3,5-dimethylpyrazole-1-carboxamidine-κ^2^N,N')nickel(II) dinitrate","","- C12 H24 N10 Ni O8 -","- C12 H24 N10 Ni O8 -","- C24 H48 N20 Ni2 O16 -","2","0.5","BM1571","Jaćimović, Željko K.; Leovac, Vukadin, M.; Mészáros Szécsényi, Katalin; Howard, Judith A. K.; Radosavljević Evans, Ivana","Transition metal complexes with pyrazole-based ligands. XIX. Diaquabis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')metal(II) dinitrate, with metal = Co and Ni","Acta Crystallographica Section C","2004","60","10","m467","m470","10.1107/S0108270104017433","","","0.71073","MoKα","","0.029","0.0263","","0.0648","0.0623","0.0623","","","","","","0.9759","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014432","5.882","0.001","19.694","0.001","7.491","0.0001","90","","91.715","0.01","90","","867.37","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Trujillo-Ferrara, Jose G.; Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; Höpfl, Herbert; Farfan-García, Norberto; García-Báez, Efrén V.","The E and Z isomers of 3-(benzoxazol-2-yl)prop-2-enoic acid","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o722","o726","10.1107/s0108270104017743","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014433","9.8191","0.0019","9.905","0.002","18.32","0.004","90","","94.037","0.004","90","","1777.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C80 H56 N8 O24 -","8","1","","Trujillo-Ferrara, Jose G.; Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; Höpfl, Herbert; Farfan-García, Norberto; García-Báez, Efrén V.","The E and Z isomers of 3-(benzoxazol-2-yl)prop-2-enoic acid","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o722","o726","10.1107/s0108270104017743","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014434","8.909","0.0012","7.184","0.0008","10.494","0.0011","90","","98.83","0.009","90","","663.68","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Mikanolide","7,10a-dimethyl-1a,1b,2a,6a,7,9a,10,10a-octahydro-4H-6,3- methenofuro[3,2-c]bisoxireno[f,h]oxacycloundecin-4,8(6H)-dione or 1,10:2,3-diepoxy-6,8-dihydroxygermacr-4-ene-11-vinyl-12,14- di-γ-lactone","","- C15 H14 O6 -","- C15 H14 O6 -","- C30 H28 O12 -","2","1","BM1574","Bakir, Mohammed; Facey, Petrea C.; Hassan, Ishmael; Mulder, Willem H.; Porter, Roy B.","Mikanolide from Jamaican <i>Mikania micrantha</i>","Acta Crystallographica Section C","2004","60","11","o798","o800","10.1107/S0108270104017809","","","0.71073","MoKα","","0.0457","0.0369","","","0.0931","0.098","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014435","9.733","0.005","6.725","0.003","17.066","0.009","90","","102.922","0.008","90","","1088.8","0.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br Cu N O3 -","- C11 H8 Br Cu N O3 -","- C44 H32 Br4 Cu4 N4 O12 -","4","1","BM1576","Wang, Yu-Hong; Lū, Fang","A one-dimensional carboxylate-bridged helical copper(II) complex containing (quinolin-8-yloxy)acetate","Acta Crystallographica Section C","2004","60","11","m557","m559","10.1107/S0108270104022048","","","0.71073","MoKα","","0.0701","0.0631","","","0.149","0.154","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014436","10.6025","0.0011","11.9199","0.0012","12.418","0.0013","64.611","0.002","82.672","0.002","66.33","0.002","1296.7","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzenemethanol","","- C29 H40 O4 -","- C29 H40 O4 -","- C58 H80 O8 -","2","1","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0885","0.0572","","","0.1512","0.1729","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014437","16.2931","0.001","10.1951","0.0006","16.4318","0.001","90","","108.367","0.001","90","","2590.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzaldehyde","","- C29 H36 O4 -","- C29 H36 O4 -","- C116 H144 O16 -","4","1","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0571","0.0431","","","0.1108","0.1226","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014438","12.793","0.0007","12.793","0.0007","24.158","0.002","90","","90","","90","","3953.7","0.4","150","2","150","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","5,5'-di-tert-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","0.5","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0718","0.0433","","","0.0993","0.1203","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014439","26.809","0.002","8.4543","0.0007","21.372","0.0018","90","","120.618","0.001","90","","4168.7","0.6","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,2'‒Dihydroxy‒5,5'‒di‒tert‒butyl‒3,3'‒ methanediyldibenzaldehyde","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","1","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0902","0.0471","","","0.1053","0.1316","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014440","19.9772","0.0014","19.9588","0.0014","15.6622","0.0011","90","","93.014","0.004","90","","6236.2","0.8","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Quinoline-2(1H)-thione","","- C9 H7 N S -","- C9 H7 N S -","- C288 H224 N32 S32 -","32","8","BM1582","Kuś, Piotr; Jones, Peter G.","Quinoline-2(1<i>H</i>)-thione, a structure with <i>Z</i>' = 8","Acta Crystallographica Section C","2004","60","12","o865","o867","10.1107/S0108270104025636","","","0.71073","MoKα","","0.0453","0.0339","","","0.074","0.0778","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014441","6.2478","0.0004","12.6754","0.0008","15.4525","0.0008","96.52","0.004","95.9","0.004","103.883","0.004","1169.53","0.12","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","3-bromopyridinium tribromoacetate","","- C7 H5 Br4 N O2 -","- C7 H5 Br4 N O2 -","- C28 H20 Br16 N4 O8 -","4","2","BM1583","Jones, Peter G.; Lozano, Virginia","Secondary interactions in 3-bromopyridinium tribromoacetate","Acta Crystallographica Section C","2004","60","12","o876","o878","10.1107/S0108270104024977","","","0.71073","MoKα","","0.0455","0.0284","","","0.0537","0.056","","","","","","0.923","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014442","8.8919","0.0018","11.08","0.002","18.579","0.004","90","","92.4","0.03","90","","1828.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diethylenediammonium decaaquadisodium decavanadate","","- C4 H40 N4 Na2 O38 V10 -","- C4 H40 N4 Na2 O38 V10 -","- C8 H80 N8 Na4 O76 V20 -","2","0.5","BM1587","Guo-Bao Li; Si-Hai Yang; Ming Xiong; Jian-Hua Lin","Bis(ethylenediammonium) decaaquadisodium decavanadate, (C~2~H~10~N~2~)~2~[Na~2~(H~2~O)~10~][V~10~O~28~]","Acta Crystallographica Section C","2004","60","12","m612","m614","10.1107/S0108270104025648","","","0.71073","MoKα","","0.0475","0.0387","","","0.114","0.119","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014443","9.081","0.002","10.671","0.003","12.415","0.003","95.131","0.004","98.598","0.004","98.689","0.004","1168.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(tetra-n-butylammonium) (μ-N,N'-diselenium dinitride)bis[tribromopalladate(II)]","","- C32 H72 Br6 N4 Pd2 Se2 -","- C32 H72 Br6 N4 Pd2 Se2 -","- C32 H72 Br6 N4 Pd2 Se2 -","1","0.5","BM1591","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; James, Sarah L. M.; Kelly, Paul F.","Bis(tetra-<i>n</i>-butylammonium) (μ-<i>N</i>,<i>N</i>'-diselenium dinitride)bis[tribromopalladate(II)]","Acta Crystallographica Section C","2004","60","12","m643","m644","10.1107/S0108270104027040","","","0.71073","MoKα","","0.074","0.0504","","","0.121","0.131","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014444","6.775","0.002","10.762","0.003","14.731","0.004","90","","92.561","0.004","90","","1073","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethylbiguanidium oxalate hydrate","","- C6 H15 N5 O5 -","- C6 H15 N5 O5 -","- C24 H60 N20 O20 -","4","1","DE1242","Lu, Li-Ping; Zhang, Hong-Mei; Feng, Si-Si; Zhu, Miao-Li","Two <i>N</i>,<i>N</i>-dimethylbiguanidium salts displaying double hydrogen bonds to the counter-ions","Acta Crystallographica Section C","2004","60","10","o740","o743","10.1107/S010827010401786X","","","0.71073","MoKα","","0.0695","0.0459","","","0.0923","0.1018","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014445","7.056","0.003","8.862","0.004","9.462","0.004","99.83","0.006","96.02","0.007","110.099","0.007","538.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N-dimethylbiguanidium sulfate hydrate","","- C4 H15 N5 O5 S -","- C4 H15 N5 O5 S -","- C8 H30 N10 O10 S2 -","2","1","DE1242","Lu, Li-Ping; Zhang, Hong-Mei; Feng, Si-Si; Zhu, Miao-Li","Two <i>N</i>,<i>N</i>-dimethylbiguanidium salts displaying double hydrogen bonds to the counter-ions","Acta Crystallographica Section C","2004","60","10","o740","o743","10.1107/S010827010401786X","","","0.71073","MoKα","","0.0553","0.0442","","","0.126","0.1619","","","","","","1.181","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014446","9.609","0.003","15.799","0.004","13.426","0.004","90","","98.189","0.005","90","","2017.5","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Huang, Hua-Ming; Ding, Ying; Chen, Pei-Li; Meng, Ji-Ben","3,3-Bis(2-methoxyphenyl)-3H-benzo[f]chromene","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o709","o710","10.1107/s0108270104019067","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014447","3.683","0.001","21.856","0.004","11.296","0.003","90","","96.32","0.02","90","","903.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl(tropolonato)rhodium(I)","","- C9 H5 O4 Rh -","- C9 H5 O4 Rh -","- C36 H20 O16 Rh4 -","4","1","DE1251","Steyl, Gideon; Roodt, Andreas; Kruger, Gert J.","Dicarbonyl(tropolonato)rhodium(I), a redetermination","Acta Crystallographica Section C","2004","60","10","m473","m475","10.1107/S0108270104019304","","","0.71069","MoKα","","0.1121","0.0512","","","0.0992","0.1196","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014448","9.8044","0.0007","21.3628","0.0013","29.2053","0.0015","90","","90","","90","","6117","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene","","- C30 H25 Cl N3 O5 P3 -","- C30 H25 Cl N3 O5 P3 -","- C240 H200 Cl8 N24 O40 P24 -","8","1","DN1053","Sopková-de Oliveira Santos, Jana; Bauchart, Diane; Besset, Celine; Dez, Isabelle","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene: a precursor of functionalized cyclophosphazene derivatives","Acta Crystallographica Section C","2004","60","10","o751","o753","10.1107/S0108270104018190","","","0.71073","MoKα","","0.123","0.0512","","","0.1251","0.1534","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014449","10.7136","0.0005","12.6846","0.0008","13.1078","0.0009","90","","90","","90","","1781.32","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","catharanthinol","catharanthinol methanol solvate","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","DN1063","Moisan, Lionel; Doris, Eric; Rousseau, Bernard; Thuéry, Pierre","Catharanthinol and dihydrocatharanthinol: two Iboga-class alkaloids","Acta Crystallographica Section C","2004","60","11","o792","o794","10.1107/S0108270104021808","","","0.71073","MoKα","","0.0509","0.0407","","","0.0845","0.0895","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014450","10.6728","0.0004","12.0168","0.0006","12.8132","0.0007","90","","90","","90","","1643.33","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","dihydrocatharanthinol","dihydrocatharanthinol monohydrate","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","DN1063","Moisan, Lionel; Doris, Eric; Rousseau, Bernard; Thuéry, Pierre","Catharanthinol and dihydrocatharanthinol: two Iboga-class alkaloids","Acta Crystallographica Section C","2004","60","11","o792","o794","10.1107/S0108270104021808","","","0.71073","MoKα","","0.0424","0.0353","","","0.0839","0.0882","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014451","17.326","0.005","12.054","0.005","10.125","0.005","90","","116.27","0.01","90","","1896.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dicyano[2,13-dimethyl-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca- 1(18),2,12,14,16-pentaene]iron(II)","","- C17 H23 Fe N5 O3 -","- C17 H23 Fe N5 O3 -","- C68 H92 Fe4 N20 O12 -","4","0.5","DN1065","Philippe Guionneau; José Sánchez Costa; Jean-François Létard","Revisited crystal symmetry of the high-spin form of the iron(II) spin-crossover complex dicyano[2,13-dimethyl-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]iron(II) monohydrate","Acta Crystallographica Section C","2004","60","11","m587","m589","10.1107/S010827010402445X","","","0.71069","MoKα","","0.0541","0.0382","","","0.0858","0.0935","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014452","5.291","0.0013","10.118","0.003","12.895","0.005","109.44","0.03","98.64","0.02","99.57","0.02","626","0.4","293","2","","","","","","","","","","4","P -1","-P 1","2","Sodium trihydrogen bis(cyclopropane-1,1-dicarboxylate) monohydrate","Sodium 1-carboxycyclopropane-1-carboxylate cyclopropane-1,1-dicarboxylic acid monohydrate","","- C10 H13 Na O9 -","- C10 H13 Na O9 -","- C20 H26 Na2 O18 -","2","1","DN1070","Muir, Kenneth W.; Macdonald, Alistair; Macdonald, Alan","Sodium 1-carboxycyclopropane-1-carboxylate cyclopropane-1,1-dicarboxylic acid monohydrate","Acta Crystallographica Section C","2004","60","12","m645","m647","10.1107/S0108270104027052","","","0.71073","MoKα","","","0.051","","","","0.15","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014453","7.8752","0.0006","4.7971","0.0002","14.0735","0.0006","90","","95.835","0.007","90","","528.92","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua-μ~4~-oxalato-di-μ~6~-phosphatotetrazinc]","","- C2 H4 O14 P2 Zn4 -","- C2 H4 O14 P2 Zn4 -","- C4 H8 O28 P4 Zn8 -","2","0.5","FA1070","You-Ju Zhong; Yan-Qiong Sun; Guo-Yu Yang","Poly[diaqua-μ~4~-oxalato-di-μ~6~-phosphato-tetrazinc]","Acta Crystallographica Section C","2004","60","10","m504","m506","10.1107/S0108270104020268","","","0.7107","MoKα","","0.0258","0.0228","","","0.0627","0.066","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014454","14.9903","0.0017","15.3555","0.0018","21.022","0.003","90","","90","","90","","4838.9","1","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido-κN^1^)bis(1,10-phenanthroline-κ^2^N,N')copper(II) perchlorate","","- C26 H16 Cl Cu N7 O4 -","- C26 H16 Cl Cu N7 O4 -","- C208 H128 Cl8 Cu8 N56 O32 -","8","1","FA1074","Burčák, Milan; Potočňák, Ivan; Baran, Peter; Jäger, Lothar","Low-dimensional compounds containing cyano groups. X. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","Acta Crystallographica Section C","2004","60","12","m601","m604","10.1107/S0108270104018244","","","0.71073","MoKα","","0.1348","0.0569","","","0.131","0.1691","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014455","10.5927","0.0013","12.0359","0.0015","12.1655","0.0015","107.09","0.002","110.399","0.002","93.876","0.002","1364.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[bis(2,2'-bipyridyl)bis(μ~3~-hydrogen phosphato)nitrato-di-μ~2~oxo-dicopper(II)vanadium dihydrate]","","- C20 H22 Cu2 N5 O15 P2 V -","- C20 H22 Cu2 N5 O15 P2 V -","- C40 H44 Cu4 N10 O30 P4 V2 -","2","1","FA1078","Moreno, Yanko; Vega, Andrés; Spodine, Evgenia; Ushak, Esvetlana; Baggio, Ricardo","Comparative study of two chemically isostructural polymers: [Cu~2~(VO~2~)(HPO~4~)~2~(NO~3~)(bpy)~2~]·2H~2~O/H~3~PO~4~ (bpy is 2,2'-bipyridine)","Acta Crystallographica Section C","2004","60","10","m484","m488","10.1107/S0108270104019687","","","0.71073","MoKα","","0.0697","0.0429","","","0.0782","0.0854","","","","","","0.829","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014456","9.8343","0.0013","10.4632","0.0014","14.321","0.0019","72.07","0.002","89.9","0.002","80.651","0.002","1381.6","0.3","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","Poly[bis(2,2'-bipyridyl)bis(μ~3~-hydrogen phosphato)nitrato-di-μ~2~oxo-dicopper(II)vanadium phosphoric acid solvate]","","- C20 H21 Cu2 N5 O17 P3 V -","- C20 H21 Cu2 N5 O17 P3 V -","- C40 H42 Cu4 N10 O34 P6 V2 -","2","1","FA1078","Moreno, Yanko; Vega, Andrés; Spodine, Evgenia; Ushak, Esvetlana; Baggio, Ricardo","Comparative study of two chemically isostructural polymers: [Cu~2~(VO~2~)(HPO~4~)~2~(NO~3~)(bpy)~2~]·2H~2~O/H~3~PO~4~ (bpy is 2,2'-bipyridine)","Acta Crystallographica Section C","2004","60","10","m484","m488","10.1107/S0108270104019687","","","0.71073","MoKα","","0.1052","0.0469","","","0.0992","0.1606","","","","","","0.852","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014457","10.0637","0.0005","11.1455","0.0008","17.5089","0.0009","90","","103.046","0.004","90","","1913.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-poly[trans-bis[N-(2-hydroxyethyl)ethylenediamine]cadmium(II)-μ-cyano- dicyanonickelate(II)-μ-cyano]","catena-poly[[μ-cyano-1:2κ^2^C:N-dicyano-1κ^2^C-trans-bis[N-(2- hydroxyethyl)ethane-1,2-diamine-2κ^2^N,N']cadmium(II)nickel(II)]-μ-cyano- 1:2'κ^2^C:N]","","- C12 H24 Cd N8 Ni O2 -","- C12 H24 Cd N8 Ni O2 -","- C48 H96 Cd4 N32 Ni4 O8 -","4","0.5","FA1079","Karadağ, Ahmet; Paşaoğlu, Hümeyra; Kaştaş, Gökhan; Büyükgüngör, Orhan","Polymeric μ-cyano-dicyanonickelate(II)-μ-cyano-<i>trans</i>-bis[<i>N</i>-(2-hydroxyethyl)ethylenediamine]cadmium(II)","Acta Crystallographica Section C","2004","60","11","m581","m583","10.1107/S0108270104021493","","","0.71073","MoKα","","0.0187","0.0162","","","0.0352","0.0358","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014458","19.5886","0.0014","13.8924","0.0009","8.3714","0.0003","90","","90","","90","","2278.1","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[(1-methylpyrrol-2-yl)methylidene]-2,3-dihydro-1H-isoindol-2-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","FA1085","Bonnett, Raymond; Motevalli, Majid; Swanson,Fiona J.; Vallés, María Asunción","11-Methyl-2,3-benzodipyrrin-1-one","Acta Crystallographica Section C","2004","60","12","o890","o892","10.1107/S0108270104026708","","","0.71073","MoKα","","0.1171","0.0542","","","0.1093","0.1301","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014459","3.9541","0.0005","37.484","0.005","7.7173","0.0009","90","","99.338","0.002","90","","1128.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Acetamido-4-p-tolyl-1,3-thiazole","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C48 H48 N8 O4 S4 -","4","1","FA1090","Lynch, Daniel E.; McClenaghan, Ian","2-Acetamido-4-<i>p</i>-tolyl-1,3-thiazole and 2-amino-4-<i>p</i>-tolyl-1,3-thiazolium chloride dihydrate","Acta Crystallographica Section C","2004","60","11","o815","o817","10.1107/S0108270104023418","","","0.6894","synchrotron","","0.0776","0.0491","","","0.1147","0.126","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014460","6.8815","0.0006","9.3072","0.0014","19.499","0.003","90","","90","","90","","1248.9","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-amino-4-tolyl-1,3-thiazolium chloride dihydrate","","- C10 H15 Cl N2 O2 S -","- C10 H15 Cl N2 O2 S -","- C40 H60 Cl4 N8 O8 S4 -","4","1","FA1090","Lynch, Daniel E.; McClenaghan, Ian","2-Acetamido-4-<i>p</i>-tolyl-1,3-thiazole and 2-amino-4-<i>p</i>-tolyl-1,3-thiazolium chloride dihydrate","Acta Crystallographica Section C","2004","60","11","o815","o817","10.1107/S0108270104023418","","","0.71073","MoKα","","0.0969","0.0628","","","0.1383","0.1523","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014461","6.457","0.003","25.594","0.007","7.111","0.003","90","","106.488","0.003","90","","1126.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(benzoato-κO)silver(I)]-μ-2-aminopyrimidine-κ^2^N^1^:N^3^]","","- C11 H10 Ag N3 O2 -","- C11 H10 Ag N3 O2 -","- C44 H40 Ag4 N12 O8 -","4","1","FA1091","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[(benzoato-κ<i>O</i>)silver(I)]-μ-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2004","60","12","m623","m624","10.1107/S0108270104024424","","","0.71073","MoKα","","0.0729","0.0574","","","0.1191","0.1249","","","","","","1.184","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014462","8.2442","0.0014","9.4534","0.0016","9.5475","0.0015","92.594","0.003","94.243","0.003","100.571","0.003","728.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4,4'-Thiodipyridinium tetrachlorocopper(II)","","- C10 H10 Cl4 Cu N2 S -","- C10 H10 Cl4 Cu N2 S -","- C20 H20 Cl8 Cu2 N4 S2 -","2","1","FA1093","Yi-Hang Wen; Jian-Kai Cheng; Jian Zhang; Zhao-Ji Li; Yuan-Gen Yao","4,4'-Thiodipyridinium tetrachlorocopper(II)","Acta Crystallographica Section C","2004","60","12","m618","m619","10.1107/S0108270104026332","","","0.71073","MoKα","","","0.0737","","","0.1483","0.1781","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014463","18.816","0.005","6.645","0.003","19.12","0.02","90","","101.77","0.03","90","","2340","3","298","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(cumylcyclopentadienyl) dichlorotitanium(IV)","","- C28 H30 Cl2 Ti -","- C28 H30 Cl2 Ti -","- C112 H120 Cl8 Ti4 -","4","0.5","FA1100","Roberto Centore; Zsolt Csok; Angela Tuzi","Dichlorobis(cumylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section C","2004","60","12","m625","m627","10.1107/S0108270104026344","","","0.71069","Mokα","","0.0643","0.046","","","0.1178","0.1279","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014464","13.3571","0.0012","10.7473","0.001","15.7604","0.0015","90","","90.914","0.004","90","","2262.2","0.4","150","1","150","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1H-Imidazol-1-yl 1,2,3,4-tetrahydroisoquinolin-2-yl ketone","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C104 H104 N24 O8 -","8","1","FG1761","Grzyb, Justyna A.; Lough, Alan J.; Batey, Robert A.","1<i>H</i>-Imidazol-1-yl 1,2,3,4-tetrahydroisoquinolin-2-yl ketone","Acta Crystallographica Section C","2004","60","10","o730","o732","10.1107/S0108270104019195","","","0.71073","MoKα","","0.1003","0.0487","","","0.0999","0.1219","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014465","10.328","0.0012","13.2177","0.0014","13.1813","0.0016","90","","90","","90","","1799.4","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[diaquacadmium(II)]-μ-5-carboxy-1H-imidazole-4-carboxylato- κ^4^N^3^,O^4^:O^5^,N^1^]","","- C5 H6 Cd N2 O6 -","- C5 H6 Cd N2 O6 -","- C40 H48 Cd8 N16 O48 -","8","1","FG1767","Yan-Qiong Sun; Jie Zhang; Guo-Yu Yang","<i>catena</i>-Poly[[diaquacadmium(II)]-μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^5^:<i>O</i>^4^,<i>N</i>^3^]","Acta Crystallographica Section C","2004","60","11","m590","m591","10.1107/S0108270104024692","","","0.7107","MoKα","","0.0839","0.0511","","","0.1049","0.1201","","","","","","1.184","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014466","14.5787","0.0006","11.7099","0.0003","16.7701","0.0008","90","","109.691","0.002","90","","2695.5","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2,6-Bis[(dimethylamino)methyl]pyridine-κ^3^N}(2,2-methylenediphenolato- κ^2^O,O')dioxouranium(VI) acetone solvate","","- C27 H35 N3 O5 U -","- C27 H35 N3 O5 U -","- C108 H140 N12 O20 U4 -","4","1","FG1769","Masci, Bernardo; Thuéry, Pierre","{2,6-Bis[(dimethylamino)methyl]pyridine-κ^3^<i>N</i>}(2,2-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI) acetone solvate","Acta Crystallographica Section C","2004","60","11","m584","m586","10.1107/S010827010402431X","","","0.71073","MoKα","","0.0474","0.0311","","","0.0654","0.0709","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014467","7.8033","0.0002","15.1425","0.0005","12.7301","0.0003","90","","106.305","0.002","90","","1443.71","0.07","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl-κN^2^)pyridine-κN](perchlorato- κO)copper(II)}","","- C22 H18 Br2 Cl2 Cu2 N10 O8 -","- C22 H18 Br2 Cl2 Cu2 N10 O8 -","- C44 H36 Br4 Cl4 Cu4 N20 O16 -","2","1","FG1771","Chakrabarty, Surajit; Poddar, Raj. K.; Poulsen, Rasmus D.; Thompson, Amber L.; Howard, Judith A. K.","The copper(II) complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]perchloratocopper(II)} and [2,6-bis(pyrazol-1-yl)pyridine]dibromocopper(II)","Acta Crystallographica Section C","2004","60","12","m628","m630","10.1107/S0108270104026459","","","0.71073","MoKα","","0.1135","0.0503","","","0.1035","0.1284","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014468","11.0056","0.0002","7.894","0.0001","15.237","0.0002","90","","93.856","0.001","90","","1320.77","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromo[2,6-bis(pyrazol-1-yl)pyridine]copper(II)","","- C11 H9 Br2 Cu N5 -","- C11 H9 Br2 Cu N5 -","- C44 H36 Br8 Cu4 N20 -","4","1","FG1771","Chakrabarty, Surajit; Poddar, Raj. K.; Poulsen, Rasmus D.; Thompson, Amber L.; Howard, Judith A. K.","The copper(II) complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]perchloratocopper(II)} and [2,6-bis(pyrazol-1-yl)pyridine]dibromocopper(II)","Acta Crystallographica Section C","2004","60","12","m628","m630","10.1107/S0108270104026459","","","0.71073","MoKα","","0.0321","0.0225","","","0.0514","0.0549","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014469","11.0642","0.0012","11.0554","0.0012","14.3447","0.0015","90","","98.754","0.002","90","","1734.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis(N,N-diethylamino)-2,2'-bipyridine","","- C18 H26 N4 -","- C18 H26 N4 -","- C72 H104 N16 -","4","1","FG1772","Pablo Alborés; Luis M. Baraldo; Ibañez, Andrés; Ricardo Baggio","4,4'-Bis(<i>N</i>,<i>N</i>-diethylamino)-2,2'-bipyridine","Acta Crystallographica Section C","2004","60","12","o850","o852","10.1107/S0108270104025077","","","0.71073","MoKα","","0.1358","0.0675","","","0.1375","0.1726","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014470","7.9623","0.0001","8.9487","0.0001","21.887","0.001","90","","96","0.001","90","","1550.95","0.08","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(di-2-pyridylamine-κ^2^N,N')silver(I)]-μ-nicotinato- κ^2^N:O]","","- C16 H13 Ag N4 O2 -","- C16 H13 Ag N4 O2 -","- C64 H52 Ag4 N16 O8 -","4","1","FG1780","Wang, Yue; Okabe, Nobuo","<i>catena</i>-Poly[[(di-2-pyridylamine)silver(I)]-μ-nicotinato] and <i>catena</i>-poly[[(di-2-pyridylamine)silver(I)]-μ-2,6-dihydroxybenzoato]","Acta Crystallographica Section C","2004","60","12","m605","m608","10.1107/S0108270104026502","","","0.71073","MoKα","","0.03","0.0239","","","0.0539","0.0547","","","","","","0.904","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014471","7.56","0.01","9.23","0.01","12.01","0.02","71.29","0.05","82.87","0.05","87.44","0.05","787.6","1.9","296","","296","","","","","","","","","5","P -1","-P 1","2","","catena-poly[[(di-2-pyridylamine-κ^2^N,N')silver(I)]-μ-2,6-dihydroxybenzoato- κ^2^O^1^:O^2^]","","- C17 H14 Ag N3 O4 -","- C17 H14 Ag N3 O4 -","- C34 H28 Ag2 N6 O8 -","2","1","FG1780","Wang, Yue; Okabe, Nobuo","<i>catena</i>-Poly[[(di-2-pyridylamine)silver(I)]-μ-nicotinato] and <i>catena</i>-poly[[(di-2-pyridylamine)silver(I)]-μ-2,6-dihydroxybenzoato]","Acta Crystallographica Section C","2004","60","12","m605","m608","10.1107/S0108270104026502","","","0.71073","MoKα","","0.0665","0.0504","","","0.145","0.1533","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014472","6.694","0.0003","13.8197","0.0007","9.1759","0.0005","90","","97.609","0.001","90","","841.38","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[μ-cyano-1:2κ^2^C:N-dicyano-1κ^2^C-bis(N,N- dimethylethylenediamine-2κ^2^N,N')palladium(II)copper(II)]-μ-cyano- 1:2'κ^2^C:N]","","- C12 H24 Cu N8 Pd -","- C12 H24 Cu N8 Pd -","- C24 H48 Cu2 N16 Pd2 -","2","0.5","FR1492","Juraj Kuchár; Juraj Černák; Abboud, Khalil A.","The one-dimensional structure of Cu(dmen)~2~Pd(CN)~4~ (dmen is <i>N</i>,<i>N</i>-dimethylethylenediamine)","Acta Crystallographica Section C","2004","60","10","m492","m494","10.1107/S0108270104019146","","","0.71073","MoKα","","0.0203","0.0159","","","0.0393","0.0412","","","","","","1.097","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014473","5.879","0.004","6.859","0.004","12.588","0.008","74.61","0.05","80.94","0.06","70.95","0.05","461.2","0.5","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C16 H18 N2 O12 -","2","1","","Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki","2-Pyridone–tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o717","o722","10.1107/s0108270104019201","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2014474","5.7563","0.0011","5.1871","0.0007","16.3206","0.0019","90","","92.186","0.013","90","","486.95","0.13","298","","298","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C16 H18 N2 O12 -","2","1","","Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki","2-Pyridone‒tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o717","o722","10.1107/s0108270104019201","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014475","4.0607","0.0013","13.144","0.003","8.696","0.002","90","","101.99","0.02","90","","454","0.2","298","","298","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C16 H18 N2 O12 -","2","1","","Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki","2-Pyridone‒tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o717","o722","10.1107/s0108270104019201","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014476","6.6423","0.001","14.734","0.003","11.817","0.002","90","","93.756","0.013","90","","1154","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-Camphoracetic acid","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","2","","Thompson, Hugh W.; Coté, Marie L.; Lalancette, Roger A.","(+)-Camphoracetic acid: catemeric hydrogen bonding in a γ-keto acid","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o727","o729","10.1107/s010827010401947x","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014477","7.642","0.004","16.635","0.003","17.354","0.003","90","","101.2","0.02","90","","2164.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridyl-κ^2^N,N')bis(salicylato-κ^2^O,O')zinc(II)","","- C24 H18 N2 O6 Zn -","- C24 H18 N2 O6 Zn -","- C96 H72 N8 O24 Zn4 -","4","1","GA1065","Lemoine, Pascale; Bendada, Karima; Viossat, Bernard","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(salicylato-κ^2^<i>O</i>,<i>O</i>')zinc(II)","Acta Crystallographica Section C","2004","60","10","m489","m491","10.1107/S0108270104016956","","","0.71073","MoKα","","0.0925","0.0375","","","0.091","0.1063","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014478","21.395","0.008","9.463","0.005","15.571","0.007","90","","113.99","0.03","90","","2880","2","298","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-dichloro-2-{[(1-phenylethyl)imino]methyl}phenol","","- C15 H13 Cl2 N O -","- C15 H13 Cl2 N O -","- C120 H104 Cl16 N8 O8 -","8","1","GA1070","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Racemic 3,5-dichloro-2-{[(1-phenylethyl)imino]methyl}phenol","Acta Crystallographica Section C","2004","60","11","o801","o802","10.1107/S0108270104017354","","","0.7107","MoKα","","","0.0505","","","","0.1804","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014479","6.1333","0.0002","11.478","0.0005","35.447","0.002","90","","90","","90","","2495.4","0.2","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Benzyloxy-16-[(N-methyl-N-phenylamino)methylidene]oestra-1,3,5(10)-trien- 17-one","","- C33 H35 N O2 -","- C33 H35 N O2 -","- C132 H140 N4 O8 -","4","1","GA1072","Matsumoto, Taisuke; Watanabe, Masataka; Matsumoto, Tomohiro; Mataka, Shuntaro; Thiemann, Thies","3-Benzyloxy-16-[(<i>N</i>-methyl-<i>N</i>-phenylamino)methylidene]estra-1,3,5(10)-trien-17-one","Acta Crystallographica Section C","2004","60","11","o813","o814","10.1107/S0108270104022711","","","0.7107","MoKα","","","0.034","","","","0.062","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014480","5.5805","0.0005","8.9808","0.0009","21.955","0.002","90","","94.976","0.003","90","","1096.18","0.18","193","2","193","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[4-[(4-aminophenyl)methyl]benzenamine]-bis(2,4-pentanedionato)Cobalt(II)","catena-Poly[(μ-4,4'-diaminodiphenylmethane-κ^2^N:N')bis(2,4-pentanedionato- κ^2^O,O')cobalt(II)]","","- C23 H28 Co N2 O4 -","- C23 H28 Co N2 O4 -","- C46 H56 Co2 N4 O8 -","2","0.5","GA1073","Zhi, Xin-Lei; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","<i>catena</i>-Poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-4,4'-methylenedianiline-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m554","m556","10.1107/S0108270104022073","","","0.7107","MoKα","","0.0334","0.0306","","","0.0721","0.0739","","","","","","1.107","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014481","8.2682","0.0017","20.593","0.004","8.3738","0.0017","90","","103.273","0.004","90","","1387.7","0.5","193.15","","193.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[diazidocobalt(II)]-di-μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene- κ^2^N^4^:N^4'^]","","- C24 H24 Co N18 -","- C24 H24 Co N18 -","- C48 H48 Co2 N36 -","2","0.5","GA1074","Li, Bao-Zong; Peng, Yan-Fen; Zhang, Yu-Ping; Li, Bao-Long; Zhang, Yong","A novel two-dimensional cobalt(II) coordination polymer with 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene","Acta Crystallographica Section C","2004","60","11","m560","m562","10.1107/S0108270104022863","","","0.71073","MoKα","","0.053","0.0439","","","0.1015","0.1063","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014482","6.486","0.0013","9.253","0.0019","10.621","0.002","76.58","0.03","83.52","0.03","83.5","0.03","613.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[(1,10-phenanthroline-κ^2^N,N')cadmium(II)]-μ-thiosulfato]","","- C12 H8 Cd N2 O3 S2 -","- C12 H8 Cd N2 O3 S2 -","- C24 H16 Cd2 N4 O6 S4 -","2","1","GA1075","M. Enriqueta Díaz de Vivar; Sergio Baggio; Ricardo Baggio","A new binding mode for thiosulfate in six-coordinate poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-thiosulfato]","Acta Crystallographica Section C","2004","60","10","m495","m497","10.1107/S0108270104019638","","","0.71073","MoKα","","0.1052","0.0365","","","0.0833","0.0971","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014483","11.315","0.002","7.891","0.0016","20.356","0.004","90","","92.87","0.03","90","","1815.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-bis(4-methoxybenzylidene)-1-methyl-4-piperidone","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","GA1078","Vladimir N. Nesterov","3,5-Bis(4-methoxybenzylidene)-1-methyl-4-piperidone and 3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride: potential biophotonic materials","Acta Crystallographica Section C","2004","60","11","o806","o809","10.1107/S0108270104022723","","","0.71073","MoKα","","0.1864","0.0476","","","0.0974","0.1276","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014484","15.03","0.003","8.002","0.0016","16.585","0.003","90","","100.81","0.03","90","","1959.3","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride","","- C22 H24 Cl N O3 -","- C22 H24 Cl N O3 -","- C88 H96 Cl4 N4 O12 -","4","1","GA1078","Vladimir N. Nesterov","3,5-Bis(4-methoxybenzylidene)-1-methyl-4-piperidone and 3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride: potential biophotonic materials","Acta Crystallographica Section C","2004","60","11","o806","o809","10.1107/S0108270104022723","","","0.71073","MoKα","","0.1326","0.0485","","","0.1106","0.1363","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014485","9.3059","0.001","9.4966","0.001","10.5689","0.001","92.544","0.001","99.256","0.001","104.917","0.001","887.18","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Di-2-pyridyl ketone 4-methyl-4-phenylthiosemicarbazone","","- C19 H17 N5 S -","- C19 H17 N5 S -","- C38 H34 N10 S2 -","2","1","GA1079","Varughese Philip; V. Suni; M. R. Prathapachandra Kurup","Di-2-pyridyl ketone 4-methyl-4-phenylthiosemicarbazone","Acta Crystallographica Section C","2004","60","12","o856","o858","10.1107/S0108270104025235","","","0.71073","MoKα","","0.0708","0.0368","","","0.0919","0.1035","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014486","5.5634","0.0003","17.0558","0.0009","16.6859","0.0009","90","","96.744","0.001","90","","1572.34","0.15","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenyl-L-isoleucine","","- C15 H23.76 N2 O3.88 -","- C15 H23.763 N2 O3.8815 -","- C60 H95.052 N8 O15.526 -","4","2","GA1081","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-isoleucine 0.88-hydrate","Acta Crystallographica Section C","2004","60","11","o810","o812","10.1107/S0108270104022851","","","0.71073","MoKα","","0.0323","0.0294","","","0.0745","0.0765","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014487","9.3538","0.0007","12.1757","0.0011","7.2286","0.0006","90","","104.593","0.004","90","","796.7","0.11","190","","190","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 N2 O2 -","- C3 H4 N2 O2 -","- C24 H32 N16 O16 -","8","1","","Yu, Fang-Lei; Schwalbe, Carl H.; Watkin, David J.","Hydantoin and hydrogen-bonding patterns in hydantoin derivatives","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o714","o717","10.1107/s0108270104017706","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014488","14.18","0.002","16.076","0.002","18.413","0.002","90","","90","","90","","4197.4","0.9","298","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Bromo-1,9-diphenyl-4-p-tolyl-7-oxa-1,2,8-triazaspiro[4.4]nona-2,8-dien-6-one","","- C24 H18 Br N3 O2 -","- C24 H18 Br N3 O2 -","- C192 H144 Br8 N24 O16 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.0531","","","","0.1051","","","","","","1.004","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014489","35.375","0.003","9.2","0.001","12.807","0.002","90","","94.81","0.01","90","","4153.4","0.9","298","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Bromo-1,9-diphenyl-4-(4-methoxy-phenyl)-7-oxa-1,2,8-triazaspiro[4.4]nona- 2,8-dien-6-one","","- C24 H18 Br N3 O3 -","- C24 H18 Br N3 O3 -","- C192 H144 Br8 N24 O24 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.0673","","","","0.2001","","","","","","1.077","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014490","16.735","0.001","21.454","0.002","14.254","0.001","90","","100.498","0.006","90","","5032","0.7","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-bromo-4-(4-chlorophenyl)-1,7,9-triphenyl-1,2,7,8-tetraazaspiro[4.4]nona- 2,8-dien-6-one","","- C29 H20 Br Cl N4 O -","- C29 H20 Br Cl N4 O -","- C232 H160 Br8 Cl8 N32 O8 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","0.1135","0.0491","","","0.0803","0.1039","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014491","10.107","0.001","13.578","0.003","19.146","0.003","90","","98.5","0.01","90","","2598.6","0.8","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-1,7,9-triphenyl-4-p-tolyl-1,2,7,8-tetraazaspiro[4.4]nona-2,8-dien-6-one","","- C30 H22.89 Br1.11 N4 O -","- C30 H22.89 Br1.11 N4 O -","- C120 H91.56 Br4.44 N16 O4 -","4","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.057","","","","0.1487","","","","","","1.017","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014492","13.0883","0.0006","9.7883","0.0005","17.997","0.0009","90","","102.5","0.002","90","","2250.98","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(benzoylmethylene)triphenylphosphorane‒fumaric acid (2/1)","","- C28 H23 O3 P -","- C28 H23 O3 P -","- C112 H92 O12 P4 -","4","1","GD1343","Elinor C. Spencer; M. Baby Mariyatra; Judith A. K. Howard; K. Panchanatheswaran","The 2:1 adducts of (benzoylmethylene)triphenylphosphorane with fumaric and terephthalic acids","Acta Crystallographica Section C","2004","60","11","o839","o842","10.1107/S0108270104023674","","","0.71073","MoKα","","0.0482","0.038","","","0.0968","0.1042","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014493","10.09","0.0006","17.9737","0.0009","13.1613","0.0007","90","","92.048","0.002","90","","2385.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(benzoylmethylene)triphenylphosphorane‒terephthalic acid (2/1)","","- C30 H24 O3 P -","- C30 H24 O3 P -","- C120 H96 O12 P4 -","4","1","GD1343","Elinor C. Spencer; M. Baby Mariyatra; Judith A. K. Howard; K. Panchanatheswaran","The 2:1 adducts of (benzoylmethylene)triphenylphosphorane with fumaric and terephthalic acids","Acta Crystallographica Section C","2004","60","11","o839","o842","10.1107/S0108270104023674","","","0.71073","MoKα","","0.0578","0.0414","","","0.1007","0.1107","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014494","5.644","0.001","9.682","0.002","15.662","0.003","90","","95.23","0.02","90","","852.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-nitroanilinium nitrate","p-nitroanilinium nitrate","","- C6 H7 N3 O5 -","- C6 H7 N3 O5 -","- C24 H28 N12 O20 -","4","1","GD1344","Genivaldo Julio Perpétuo; Jan Janczak","4-Nitroanilinium nitrate","Acta Crystallographica Section C","2004","60","10","o768","o770","10.1107/S0108270104021122","","","0.71073","MoKα","","0.0583","0.0407","","","0.1017","0.1132","","","","","","1.001","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014495","10.903","0.002","13.068","0.002","24.4","0.004","90","","90","","90","","3476.5","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kd-e-3-19 dmso","9,9'-(1,4-dioxane-2,5-diyldimethylenedioxy)di(7H-furo[3,2-g]chromen-7-one) dimethyl sulfoxide disolvate","","- C36 H40 O12 S2 -","- C36 H40 O12 S2 -","- C144 H160 O48 S8 -","4","1","GD1348","Mitsunobu Doi; Terue Nakamori; Makio Shibano; Masahiko Taniguchi; Nian-He Wang; Kimiye Baba","Candibirin A, a furanocoumarin dimer isolated from <i>Heracleum candicans</i> W<small>ALL</small>.","Acta Crystallographica Section C","2004","60","11","o833","o835","10.1107/S0108270104024291","","","0.71073","MoKα","","0.0411","0.037","","","0.0951","0.0986","","","","","","0.898","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014496","8.2","0.0007","16.2132","0.0014","11.6706","0.001","90","","97.244","0.001","90","","1539.2","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","kd-e-3-19 dmf","9,9'-(1,4-dioxane-2,5-diyldimethylenedioxy)di(7H-furo[3,2-g]chromen-7-one) dimethylformamide solvate","","- C35 H35 N O11 -","- C35 H35 N O11 -","- C70 H70 N2 O22 -","2","1","GD1348","Mitsunobu Doi; Terue Nakamori; Makio Shibano; Masahiko Taniguchi; Nian-He Wang; Kimiye Baba","Candibirin A, a furanocoumarin dimer isolated from <i>Heracleum candicans</i> W<small>ALL</small>.","Acta Crystallographica Section C","2004","60","11","o833","o835","10.1107/S0108270104024291","","","0.71073","MoKα","","0.0432","0.0419","","","0.1144","0.1158","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014497","9.924","0.002","13.345","0.003","14.467","0.003","90","","90","","90","","1915.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 P Re -","- C20 H20 O4 P Re -","- C80 H80 O16 P4 Re4 -","4","1","GD1349","Hołyńska, Małgorzata; Lis, Tadeusz","Ethyltriphenylphosphonium perrhenate and (iodomethyl)triphenylphosphonium perrhenate","Acta Crystallographica Section C","2004","60","12","m648","m650","10.1107/S0108270104027192","","","0.71073","MoKα","","0.0259","0.0224","","","0.0394","0.0402","","","","","","1.016","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014498","10.116","0.003","15.478","0.003","12.748","0.003","90","","96.62","0.03","90","","1982.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 I O4 P Re -","- C19 H17 I O4 P Re -","- C76 H68 I4 O16 P4 Re4 -","4","1","GD1349","Hołyńska, Małgorzata; Lis, Tadeusz","Ethyltriphenylphosphonium perrhenate and (iodomethyl)triphenylphosphonium perrhenate","Acta Crystallographica Section C","2004","60","12","m648","m650","10.1107/S0108270104027192","","","0.71073","MoKα","","0.0295","0.0226","","","0.0543","0.0558","","","","","","1.086","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014499","8.3609","0.0004","7.9369","0.0004","15.8259","0.0007","90","","104.689","0.001","90","","1015.88","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ethylenediamine zinc hydrogen phosphite","poly[dizinc(II)-μ-ethylenediamine-di-μ-(hydrogen phosphito)]","","- C2 H10 N2 O6 P2 Zn2 -","- C2 H10 N2 O6 P2 Zn2 -","- C8 H40 N8 O24 P8 Zn8 -","4","1","GG1223","Gordon, Laura E.; Harrison, William T. A.","β-[H~2~N(CH~2~)~2~NH~2~]~0.5~[ZnHPO~3~], a second modification of ethylenediamine zinc hydrogen phosphite","Acta Crystallographica Section C","2004","60","12","m637","m639","10.1107/S0108270104027039","","","0.71073","MoKα","","0.0682","0.0641","","","0.1697","0.1709","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014500","12.2569","0.0006","12.5985","0.0006","16.8506","0.0009","90","","90","","90","","2602","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-methyl-1,3-benzenediol (orcin) 1,4-diazabicyclo[2.2.2]octane (1/1)","","- C13 H20 N2 O2 -","- C13 H20 N2 O2 -","- C104 H160 N16 O16 -","8","2","HJ1016","Jin, Zhi-Min; Lin, Chen-Shui; Wang, Hai-Bin; Hu, Mao-Lin; Shen, Liang","The 1:1 adduct of 5-methylbenzene-1,3-diol (orcin) and 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2004","60","10","o765","o767","10.1107/S0108270104021936","","","0.71073","MoKα","","0.0641","0.0536","","","0.145","0.1569","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014501","6.0553","0.0002","8.2433","0.0003","9.9694","0.0001","111.733","0.002","94.984","0.002","93.813","0.002","457.88","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[aquaneodymium(III)-μ~5~-2-hydroxy-5-sulfonatobenzoato]","","- C7 H5 Nd O7 S -","- C7 H5 Nd O7 S -","- C14 H10 Nd2 O14 S2 -","2","1","HJ1019","Wang, Xiao-Qin; Zhang, Jian; Li, Zhao-Ji; Wen, Yi-Hang; Cheng, Jian-Kai; Yao, Yuan-Gen","Poly[aquaneodymium(III)-μ~5~-2-oxido-5-sulfonatobenzoato]","Acta Crystallographica Section C","2004","60","12","m657","m658","10.1107/S0108270104022280","","","0.71073","MoKα","","","0.0293","","","0.0775","0.0794","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014502","13.2692","0.0011","9.1898","0.0008","13.5155","0.0011","90","","107.542","0.002","90","","1571.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[copper(II)-di-μ-5-aminoisophthalato(1-)-κ^4^N:O] monohydrate]","","- C16 H14 Cu N2 O9 -","- C16 H14 Cu N2 O9 -","- C64 H56 Cu4 N8 O36 -","4","0.5","HJ1020","Liao, Qiu-Xia; Li, Zhao-Ji; Zhang, Jian; Kang, Yao; Dai, Yu-Mei; Yao, Yuan-Gen","Poly[[copper(II)-di-μ-5-aminoisophthalato(1‒)-κ^4^<i>N</i>:<i>O</i>] monohydrate]","Acta Crystallographica Section C","2004","60","10","m509","m511","10.1107/S0108270104020426","","","0.71073","MoKα","","","0.053","","","0.1222","0.1359","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014503","7.228","0.005","10.834","0.007","12.831","0.008","100.09","0.01","99.83","0.01","95.63","0.01","966.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{4-Bromo-2-[2-(5-bromo-2- oxidobenzylideneaminomethyl)phenyliminomethyl]phenolato- κ^4^O,N,N',O'}nickel(II)","","- C21 H14 Br2 N2 Ni O2 -","- C21 H14 Br2 N2 Ni O2 -","- C42 H28 Br4 N4 Ni2 O4 -","2","1","HJ1022","Santu Chakraborty; B. Samanta; C. R. Chowdhury; S. Mitra; Alok K. Mukherjee","{4-Bromo-2-[2-(5-bromo-2-oxidobenzylideneaminomethyl)phenyliminomethyl]phenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","Acta Crystallographica Section C","2004","60","11","m578","m580","10.1107/S0108270104022899","","","0.71073","MoKα","","0.0476","0.0331","","","0.0759","0.0816","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014504","13.2233","0.0008","14.6535","0.0011","16.7275","0.0012","97.085","0.002","104.69","0.002","101.691","0.003","3017.6","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","catena-poly[[[acetonitrilesilver(I)]-di-μ-4-[N- (diphenylphosphino)aminomethyl]pyridine-κ^2^N^1^:P;κ^2^P:N^1^- [acetonitrilesilver(I)]-μ~3~- 4-[N,N-bis(diphenylphosphino)aminomethyl]pyridine-κ^3^N^1^:P:P'- bis[acetonitrilesilver(I)(Ag—Ag)]-μ~3~-4-[N,N- bis(diphenylphosphino)aminomethyl]pyridine-κ^3^P:P':N^1^] tetrakis(tetrafluoroborate) acetonitrile trisolvate]","","- C116 H116 Ag4 B4 F16 N16 P6 -","- C116 H116 Ag4 B4 F16 N18 P6 -","- C116 H116 Ag4 B4 F16 N18 P6 -","1","0.5","HJ1026","Feazell, Rodney P.; Carson, Cody E.; Klausmeyer, Kevin K.","Self-assembly of a mixed-ligand silver-based coordination polymer","Acta Crystallographica Section C","2004","60","11","m598","m600","10.1107/S0108270104025004","","","0.71073","MoKα","","0.0647","0.0377","","","0.0735","0.081","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014505","26.055","0.002","6.6734","0.0012","14.523","0.002","90","","94.788","0.008","90","","2516.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","8,19-Dimethyl-8,19-dihydro-8,19-ethanoanthra[2',3':2,3;6',7':2,3]di-1,4- dioxino[5,6-b;5,6-b]diquinoxaline","","- C34 H22 N4 O4 -","- C34 H22 N4 O4 -","- C136 H88 N16 O16 -","4","0.5","HJ1027","Masci, Bernardo; Thuéry, Pierre","8,19-Dimethyl-8,19-dihydro-8,19-ethanoanthra[2'',3'':2,3;6'',7'':2',3']di-1,4-dioxino[5,6-<i>b</i>;5',6'-<i>b</i>']diquinoxaline","Acta Crystallographica Section C","2004","60","11","o836","o838","10.1107/S010827010402462X","","","0.71073","MoKα","","0.1473","0.0641","","","0.1291","0.1674","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014506","13.648","0.003","13.254","0.003","15.358","0.006","90","","90","","90","","2778.1","1.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Chlorobis[N-(ethoxycarbonyl)-N'-(p-methoxyphenyl)thiourea-κS]copper(I)","","- C22 H28 Cl Cu N4 O6 S2 -","- C22 H28 Cl Cu N4 O6 S2 -","- C88 H112 Cl4 Cu4 N16 O24 S8 -","4","1","HJ1031","Su, Bi-Quan; Xian, Liang; Song, Hai-Bin; Sheng, Li","Chlorobis[<i>N</i>-ethoxycarbonyl-<i>N</i>'-(<i>p</i>-methoxyphenyl)thiourea-κ<i>S</i>]copper(I)","Acta Crystallographica Section C","2004","60","12","m661","m662","10.1107/S0108270104028215","","","0.71073","MoKα","","0.0904","0.039","","","0.0775","0.0948","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014507","23.0272","0.0005","7.5684","0.0002","7.8595","0.0002","90","","99.266","0.002","90","","1351.87","0.06","293","2","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","calcium disilver tetrathiocyanate dihydrate","calcium tetrathiocyanato diargentate dihydrate","","- C4 H4 Ag2 Ca N4 O2 S4 -","- C4 H4 Ag2 Ca N4 O2 S4 -","- C16 H16 Ag8 Ca4 N16 O8 S16 -","4","0.5","IZ1044","Güneş, Minna; Valkonen, Jussi","Ca[Ag~2~(SCN)~4~]·2H~2~O","Acta Crystallographica Section C","2004","60","11","i101","i103","10.1107/S0108270104019316","","","0.71073","MoKα","","","0.035","","","","0.1123","","","","","","1.166","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014508","7.818","0.001","5.931","0.001","10.634","0.002","90","","90","","90","","493.08","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","dithallium sulfate","","- O4 S Tl2 -","- O4 S Tl2 -","- O16 S4 Tl8 -","4","0.5","IZ1045","Wallez, Gilles; Jaulmes, Sylvie; Elfakir, Ammy; Souron, Jean-Paul; Quarton, Michel","β-Tl~2~SO~4~","Acta Crystallographica Section C","2004","60","11","i107","i109","10.1107/S0108270104022346","","","0.71069","MoKα","","0.0261","0.0251","","0.0653","","0.0644","","","1.039","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014509","8.4836","0.0004","18.9094","0.0009","12.8907","0.0006","90","","97.457","0.001","90","","2050.43","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromotetra-μ~2~-methoxo-di-μ~3~-methoxo-hexakis(tetrahydrofuran-d~8~- κO)tetramagnesium","","- C30 H18 Br2 D48 Mg4 O12 -","- C30 H66 Br2 Mg4 O12 -","- C60 H132 Br4 Mg8 O24 -","2","0.5","JZ1633","Walfort, Bernhard; Yousef, Rushdi I.; Rüffer, Tobias; Steinborn, Dirk","Dibromotetra-μ~3~-methoxo-di-μ~2~-methoxo-hexakis(tetrahydrofuran-<i>d</i>~8~)tetramagnesium","Acta Crystallographica Section C","2004","60","10","m482","m483","10.1107/S010827010401933X","","","0.71073","MoKα","","0.0513","0.0368","","","0.0914","0.099","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014510","12.341","0.001","10.3381","0.0009","21.024","0.002","90","","99.371","0.002","90","","2646.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis[1,3-bis(trimethylsilyl)allyl]cobalt(II)","bis[(1,2,3-η)-(2E)-1,3-bis(trimethylsilyl)prop-2-enyl]cobalt(II)","","- C18 H42 Co Si4 -","- C18 H42 Co Si4 -","- C72 H168 Co4 Si16 -","4","1","JZ1658","Smith, J. Dominic; Quisenberry, Keith T.; Hanusa, Timothy P.; Brennessel, William W.","Bis[1,3-bis(trimethylsilyl)allyl]cobalt(II), a stable electron-deficient allyl complex","Acta Crystallographica Section C","2004","60","10","m507","m508","10.1107/S0108270104020293","","","0.71073","MoKα","","0.0485","0.0405","","","0.1067","0.1111","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014511","5.783","0.002","8.229","0.002","10.827","0.003","105.65","0.03","97.48","0.03","97.689","0.009","484.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[diaquamanganese(II)]-μ-4,4-bipyridine-κ^2^N:N'-μ- (p-phenylenedioxydiacetato)-κ^2^O:O']","","- C20 H20 Mn N2 O8 -","- C20 H20 Mn N2 O8 -","- C20 H20 Mn N2 O8 -","1","0.5","JZ1660","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","A two-dimensional manganese(II) coordination polymer: poly[[diaquamanganese(II)]-μ-4,4-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ-(<i>p</i>-phenylenedioxydiacetato)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2004","60","10","m537","m539","10.1107/S0108270104021481","","","0.71074","MoKα","","0.096","0.058","","","0.097","0.107","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014512","9.1673","0.0018","10.401","0.002","11.026","0.002","90","","111.81","0.03","90","","976.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(pyridin-4-ol-κN)silver(I)]-μ-pyridin-4-olato-κ^2^N:O]","","- C10 H9 Ag N2 O2 -","- C10 H9 Ag N2 O2 -","- C40 H36 Ag4 N8 O8 -","4","1","JZ1667","Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhao, Hui","<i>catena</i>-Poly[[(pyridin-4-ol-κ<i>N</i>)silver(I)]-μ-pyridin-4-olato-κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2004","60","12","m651","m653","10.1107/S0108270104026757","","","0.71073","MoKα","","0.0332","0.0251","","","0.0541","0.0562","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014513","9.0727","0.0004","12.9327","0.0005","19.0201","0.0008","90","","90","","90","","2231.71","0.16","298","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","","- C6 H14 Cr2 N2 O7 -","- C6 H14 Cr2 N2 O7 -","- C48 H112 Cr16 N16 O56 -","8","1","NA1676","Jin, Zhi-Min; Li, Li; Wang, Hai-Bin; Hu, Mao-Lin; Shen, Liang","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","Acta Crystallographica Section C","2004","60","11","m572","m574","10.1107/S010827010402342X","","","0.71073","MoKα","","0.0306","0.0288","","","0.08","0.0814","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014514","10.201","0.0012","5.0606","0.0004","36.29","0.005","90","","99.692","0.01","90","","1846.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[6-(3-Chlorophenyl)-2,4-dioxoperhydropyrimidin-3-yl]ethyl morpholine-4-carbodithioate","","- C17 H20 Cl N3 O3 S2 -","- C17 H20 Cl N3 O3 S2 -","- C68 H80 Cl4 N12 O12 S8 -","4","1","OB1189","Köysal, Yavuz; Işık, Şamil; Septiog̃lu, Ebubekir; Ünsal Çalış","2-[6-(3-Chlorophenyl)-2,4-dioxoperhydropyrimidin-3-yl]ethyl morpholine-4-carbodithioate","Acta Crystallographica Section C","2004","60","10","o757","o758","10.1107/S0108270104018852","","","0.71073","MoKα","","0.0334","0.0318","","","0.1146","0.1206","","","","","","1.021","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014515","12.633","0.013","12.735","0.014","13.29","0.03","61.6","0.03","66.23","0.04","63.22","0.03","1630","4","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H68 N8 O22 Zn4 -","- C68 H68 N8 O22 Zn4 -","- C68 H68 N8 O22 Zn4 -","1","0.5","OB1191","Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","Tetrakis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(μ-salicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')-<i>quadro</i>-tetrazinc(II) decahydrate","Acta Crystallographica Section C","2004","60","10","m479","m481","10.1107/S010827010401950X","","","0.7107","MoKα","","","0.024","","","","0.066","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014516","38.293","0.006","13.246","0.002","12.888","0.002","90","","90","","90","","6537.2","1.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","1,4-Dimethylpyridinium hexakis(dimethylformamide-κO)calcium(II) tetracontaoxophosphidododecamolybdate","","- C25 H52 Ca Mo12 N7 O46 P -","- C25 H52 Ca Mo12 N7 O46 P -","- C100 H208 Ca4 Mo48 N28 O184 P4 -","4","1","OB1193","Xue-Jie Tan; Si-Xiu Sun; Jian-Ping Ma; Lian-Dong Liu; Yu-Bin Dong; Wen-Tao Yu; Dian-Xiang Xing","1,4-Dimethylpyridinium hexakis(dimethylformamide-κ<i>O</i>)calcium(II) dodecamolybdophosphate","Acta Crystallographica Section C","2004","60","10","m476","m478","10.1107/S0108270104019705","","","0.71073","MoKα","","0.0714","0.06","","","0.1209","0.1267","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014517","10.67","0.005","15.72","0.007","11.462","0.005","90","","90.627","0.007","90","","1922.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(nitrato-κ^2^O,O')silver(I)]-μ-2,2'-[1,4- phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)-κ^2^N^3^,N^3'^]","","- C14 H14 Ag N5 O3 S4 -","- C14 H14 Ag N5 O3 S4 -","- C56 H56 Ag4 N20 O12 S16 -","4","0.5","OB1194","Zheng, Yan","<i>catena</i>-Poly[[(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)]-μ-2,2'-[1,4-phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section C","2004","60","10","m471","m472","10.1107/S0108270104019183","","","0.71073","MoKα","","0.0371","0.0251","","","","0.0541","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014518","7.712","0.0015","11.771","0.002","12.523","0.003","85.27","0.03","75.38","0.03","75.82","0.03","1066.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaqua(sulfato-κO)[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N^1^,N^2^,N^6^]zinc(II) dihydrate","","- C18 H20 N6 O8 S Zn -","- C18 H20 N6 O8 S Zn -","- C36 H40 N12 O16 S2 Zn2 -","2","1","OB1195","Harvey, Miguel Angel; Baggio, Sergio; Baggio, Ricardo","Diaqua(sulfato-κ<i>O</i>)[2,4,6-tris(2-pyridyl)-1,3,5-triazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]zinc(II) dihydrate","Acta Crystallographica Section C","2004","60","10","m498","m500","10.1107/S0108270104019821","","","0.71073","MoKα","","0.183","0.0577","","","0.1045","0.1395","","","","","","0.916","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014519","19.871","0.004","6.1614","0.0011","13.475","0.002","90","","104.452","0.003","90","","1597.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-4-aminocyclohexane carboxylic acid hemihydrate","cis-4-ammoniocyclohexanecarboxylate hemihydrate","","- C7 H14 N O2.5 -","- C7 H14 N O2.5 -","- C56 H112 N8 O20 -","8","1","OB1197","Edward E. Ávila; Asiloé J. Mora; Gerzon E. Delgado; Belkis M. Ramírez; Alí Bahsas; Sonia Koteich","Hydrogen-bonding patterns in <i>cis</i>-4-ammoniocyclohexanecarboxylate hemihydrate","Acta Crystallographica Section C","2004","60","10","o759","o761","10.1107/S0108270104020943","","","0.71073","MoKα","","0.1028","0.0473","","","0.0928","0.1024","","","","","","0.974","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014520","9.418","0.001","22.4088","0.001","23.7508","0.0013","90","","92.098","0.003","90","","5009.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-poly[[heptakis(dimethylformamide-κO)di-μ~4~-oxo-tetra-μ~3~-oxo- hexadeca-μ~2~-oxo-tetraoxolanthanum(III)octamolybdenum(IV)]-μ-sodium(I)]","","- C21 H49 La Mo8 N7 Na O33 -","- C21 H49 La Mo8 N7 Na O33 -","- C84 H196 La4 Mo32 N28 Na4 O132 -","4","1","OB1198","Shu-Mei Chen; Can-Zhong Lu; Ya-Qin Yu; Quan-Zheng Zhang; Xiang He","<i>catena</i>-Poly[[heptakis(dimethylformamide-κ<i>O</i>)di-μ~4~-oxo-tetra-μ~3~-oxo-hexadeca-μ~2~-oxo-tetraoxolanthanum(III)octamolybdenum(IV)]-μ-sodium(I)]","Acta Crystallographica Section C","2004","60","11","m549","m550","10.1107/S010827010402147X","","","0.71073","MoKα","","","0.0379","","","0.094","0.0968","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014521","15.5951","0.0018","6.6087","0.0007","7.3635","0.0008","90","","96.979","0.002","90","","753.28","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquacobalt(II)]-di-μ-4-cyanobenzoato-κ^4^O:O']","","- C16 H12 Co N2 O6 -","- C16 H12 Co N2 O6 -","- C32 H24 Co2 N4 O12 -","2","0.5","OB1199","He, Hong-Yin; Chen, Jie; Wang, Xiao-Hua; Zhu, Long-Guan","Poly[[diaquacobalt(II)]-di-μ-4-cyanobenzoato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2004","60","10","m540","m542","10.1107/S0108270104021766","","","0.71073","MoKα","","0.0382","0.0354","","","0.0953","0.0967","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014522","8.711","0.011","10.05","0.013","10.224","0.013","90","","90","","90","","895","2","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","catena-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^N:N'] trifluoromethanesulfonate]","","- C3 H8 Ag F3 N2 O3 S -","- C3 H8 Ag F3 N2 O3 S -","- C12 H32 Ag4 F12 N8 O12 S4 -","4","0.5","OB1200","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>'] trifluoromethanesulfonate]","Acta Crystallographica Section C","2004","60","10","m515","m516","10.1107/S0108270104020839","","","0.71073","MoKα","","0.036","0.0334","","","0.0749","0.0764","","","","","","1.185","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014523","6.791","0.002","7.731","0.002","8.732","0.002","92.01","0.03","92.17","0.03","91.09","0.03","457.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-aminopyridine)bis[(trifluoroacetato)silver(I)]","","- C7 H6 Ag F3 N2 O2 -","- C7 H6 Ag F3 N2 O2 -","- C14 H12 Ag2 F6 N4 O4 -","2","1","OB1201","You, Zhong-Lu; Zhu, Hai-Liang","Bis(μ-2-aminopyridine)bis[(trifluoroacetato)silver(I)]","Acta Crystallographica Section C","2004","60","10","m517","m519","10.1107/S0108270104020785","","","0.71073","MoKα","","0.0324","0.0313","","","0.0825","0.0836","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014524","14.3665","0.001","17.1608","0.0018","19.762","0.003","90","","90","","90","","4872.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-[Bis(N-2-oxyphenylsalicylydene)]propane","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C232 H208 N16 O32 -","8","1","OB1202","Hökelek, Tuncer; Bilge, Selen; Demiriz, Şemsay; Özgüç, Bilgehan; Kılıç, Zeynel","1,3-Bis[2-(2-hydroxybenzylideneamino)phenoxy]propane","Acta Crystallographica Section C","2004","60","11","o803","o805","10.1107/S0108270104022565","","","1.5418","CuKα","","0.0804","0.0445","","","0.1172","0.1356","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014525","13.785","0.011","8.554","0.007","34.74","0.03","90","","90","","90","","4096","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-[(1E)-(4-Chlorophenyl)methyleneamino]-N-(3-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O S -","- C23 H21 Cl N2 O S -","- C184 H168 Cl8 N16 O8 S8 -","8","1","OB1203","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-[(<i>E</i>)-(4-Chlorophenyl)methyleneamino]-<i>N</i>-(<i>X</i>-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2004","60","11","o786","o788","10.1107/S0108270104021092","","","0.71073","MoKα","","0.1156","0.0597","","","0.1155","0.1358","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014526","17.511","0.004","12.519","0.003","9.232","0.002","90","","97.406","0.004","90","","2007","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(1E)-(4-Chlorophenyl)methyleneamino]-N-(2-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O S -","- C23 H21 Cl N2 O S -","- C92 H84 Cl4 N8 O4 S4 -","4","1","OB1203","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-[(<i>E</i>)-(4-Chlorophenyl)methyleneamino]-<i>N</i>-(<i>X</i>-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2004","60","11","o786","o788","10.1107/S0108270104021092","","","0.71073","MoKα","","0.0582","0.0477","","","0.1414","0.1572","","","","","","0.905","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014527","12.5563","0.0009","16.291","0.001","12.6208","0.0009","90","","96.896","0.006","90","","2563","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(1,10-phenanthroline-κ^2^N,N')(squarato-κO)copper(II) trihydrate","","- C28 H22 Cu N4 O7 -","- C28 H22 Cu N4 O7 -","- C112 H88 Cu4 N16 O28 -","4","1","SK1754","Bulut, Ahmet; Uçar, İbrahim; Yeşilel, Okan Zafer; İçbudak, Hasan; Ölmez, Halis; Büyükgüngör, Orhan","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(squarato-κ<i>O</i>)copper(II) trihydrate","Acta Crystallographica Section C","2004","60","10","m526","m528","10.1107/S0108270104020566","","","0.71073","MoKα","","0.0649","0.033","","","0.0628","0.0677","","","","","","0.817","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014528","6.875","0.0006","25.3741","0.0017","8.3964","0.0008","90","","96.303","0.008","90","","1455.9","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-(4-Oxo-4H-chromen-2-yl)(phenyl)methyl acetate","(±)-(4-Oxo-4H-chromen-2-yl)(phenyl)methyl acetate","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","SK1758","Małecka, Magdalena; Massa, Werner; Budzisz, Elżbieta","(±)-(4-Oxo-4<i>H</i>-chromen-2-yl)(phenyl)methyl acetate","Acta Crystallographica Section C","2004","60","10","o762","o764","10.1107/S0108270104020712","","","0.71073","MoKα","","0.056","0.0419","","","0.1107","0.1175","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014529","14.8737","0.0002","14.3865","0.0002","17.6287","0.0003","90","","90","","90","","3772.2","0.1","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cl N2 O5 -","- C20 H21 Cl N2 O5 -","- C160 H168 Cl8 N16 O40 -","8","1","","Linden, Anthony; Şafak, Cihat; Aydın, Fırat","Methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o711","o713","10.1107/s0108270104019468","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2014530","6.3647","0.0006","7.2807","0.0007","11.2743","0.001","90","","90","","90","","522.45","0.08","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","dicerium orthosilicate telluride","Dicerium orthosilicate telluride","","- Ce2 O4 Si Te -","- Ce2 O4 Si Te -","- Ce8 O16 Si4 Te4 -","4","0.5","SK1760","Deng, Bin; Yao, Ji-Yong; Ibers, James A.","Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te)","Acta Crystallographica Section C","2004","60","11","i110","i112","10.1107/S0108270104024230","","","0.71073","MoKα","","0.0237","0.0225","","","0.0561","0.0567","","","","","","1.339","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014531","6.225","0.0006","7.2354","0.0007","11.0739","0.001","90","","90","","90","","498.77","0.08","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","dicerium orthosilicate selenide","Dicerium orthosilicate selenide","","- Ce2 O4 Se Si -","- Ce2 O4 Se Si -","- Ce8 O16 Se4 Si4 -","4","0.5","SK1760","Deng, Bin; Yao, Ji-Yong; Ibers, James A.","Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te)","Acta Crystallographica Section C","2004","60","11","i110","i112","10.1107/S0108270104024230","","","0.71073","MoKα","","0.0221","0.0211","","","0.0583","0.0586","","","","","","1.492","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014532","4.6152","0.0004","20.504","0.002","8.7094","0.0009","90","","91.378","0.007","90","","823.93","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one","","- C7 H5 F3 N4 O -","- C7 H5 F3 N4 O -","- C28 H20 F12 N16 O4 -","4","1","SK1761","Boechat, Nubia; Dutra, Karen D. B.; Valverde, Alessandre; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one and hydrogen-bonded chains of rings in 5-amino-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole‒5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1), the co-crystal of a reaction product and one of its precursors","Acta Crystallographica Section C","2004","60","10","o733","o736","10.1107/S0108270104020256","","","0.71073","MoKα","","0.0961","0.065","","","0.1517","0.1728","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014533","5.0752","0.0004","22.182","0.002","12.396","0.0011","90","","91.32","0.0005","90","","1395.1","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-amino-5-trifluoromethyl-1H-1,2,4-triazole‒ 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (1/1)","","- C10 H8 F6 N8 O -","- C10 H8 F6 N8 O -","- C40 H32 F24 N32 O4 -","4","1","SK1761","Boechat, Nubia; Dutra, Karen D. B.; Valverde, Alessandre; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one and hydrogen-bonded chains of rings in 5-amino-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole‒5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1), the co-crystal of a reaction product and one of its precursors","Acta Crystallographica Section C","2004","60","10","o733","o736","10.1107/S0108270104020256","","","0.71073","MoKα","","0.0756","0.0457","","","0.0985","0.1096","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014534","10.53","0.005","7.362","0.005","17.546","0.005","90","","91.719","0.005","90","","1359.6","1.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)prop-2-en-1-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.1088","0.061","","","0.1158","0.1347","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014535","17.556","0.0004","5.0914","0.0002","15.4869","0.0004","90","","91.924","0.0016","90","","1383.51","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, monoclinic polymorph","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.0703","0.0449","","","0.1142","0.1284","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014536","9.5352","0.0002","10.6193","0.0003","14.7611","0.0004","89.14","0.0014","81.097","0.0017","75.754","0.0014","1430.83","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, triclinic polymorph","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.0699","0.0488","","","0.128","0.1371","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014537","7.342","0.0002","10.9241","0.0003","18.7176","0.0005","85.018","0.0011","83.228","0.0014","75.818","0.0014","1442.71","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","","- C17 H12 F3 N O3 -","- C17 H12 F3 N O3 -","- C68 H48 F12 N4 O12 -","4","2","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.0868","0.052","","","0.1374","0.157","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014538","10.2353","0.0006","7.7684","0.0004","23.0287","0.0014","90","","102.78","0.004","90","","1785.69","0.18","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(methylsulfonyl)amido-κN]bis(2-picoline-κN)copper(I)","","- C14 H20 Cu N3 O4 S2 -","- C14 H20 Cu N3 O4 S2 -","- C56 H80 Cu4 N12 O16 S8 -","4","1","SK1763","Jones, Peter G.; Zerbe, Eva-Maria; Wölper, Christoph","Polysulfonylamines. CLXXI. [Di(methanesulfonyl)amido-κ<i>N</i>]bis(2-picoline-κ<i>N</i>)copper(I)","Acta Crystallographica Section C","2004","60","10","m529","m531","10.1107/S0108270104020499","","","0.71073","MoKα","","0.0355","0.0261","","","0.0697","0.0729","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014539","7.492","0.0001","12.9293","0.0001","13.7904","0.0001","90","","90","","90","","1335.83","0.02","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","Diaquahexa-μ-cyano-ferrate(III)praseodymium(III) dihydrate","","- C6 H8 Fe N6 O4 Pr -","- C6 H8 Fe N6 O4 Pr -","- C24 H32 Fe4 N24 O16 Pr4 -","4","0.25","SK1764","Langer, Vratislav; Smrčok, Ľubomír; Masuda, Yoshio","Pseudo-merohedrally twinned praseodymium hexacyanoferrate(III) tetrahydrate","Acta Crystallographica Section C","2004","60","11","i104","i106","10.1107/S010827010402092X","","","0.71073","MoKα","","0.0176","0.0168","","","0.0383","0.0388","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014540","8.6201","0.0006","13.5104","0.0007","13.5612","0.001","90","","99.627","0.006","90","","1557.11","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mer-Diaquabis(1H-imidazole-κN^3^)(orotato-κ^2^N,O)nickel(II)","","- C11 H14 N6 Ni O6 -","- C11 H14 N6 Ni O6 -","- C44 H56 N24 Ni4 O24 -","4","1","SK1765","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Ölmez, Halis; Büyükgüngör, Orhan","<i>mer</i>-Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)(orotato-κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II)","Acta Crystallographica Section C","2004","60","11","m563","m566","10.1107/S0108270104022462","","","0.71073","MoKα","","0.0325","0.0271","","","0.0702","0.0718","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014541","17.0056","0.0017","10.7527","0.0011","15.7079","0.0016","90","","99.367","0.002","90","","2834","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","9-Chloro-8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H15 Cl F N O -","- C17 H15 Cl F N O -","- C136 H120 Cl8 F8 N8 O8 -","8","1","SK1768","Ravikumar, K.; Mahesh, M.; Narayana Reddy, V. V.","Imino Diels‒Alder adducts. I. Two furo[3,2-<i>c</i>]quinoline diastereoisomers","Acta Crystallographica Section C","2004","60","12","o887","o889","10.1107/S0108270104023789","","","0.71073","MoKα","","0.075","0.0533","","","0.1328","0.1468","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014542","8.1796","0.0006","17.9041","0.0012","9.6562","0.0007","90","","91.017","0.001","90","","1413.91","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-Chloro-8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H15 Cl F N O -","- C17 H15 Cl F N O -","- C68 H60 Cl4 F4 N4 O4 -","4","1","SK1768","Ravikumar, K.; Mahesh, M.; Narayana Reddy, V. V.","Imino Diels‒Alder adducts. I. Two furo[3,2-<i>c</i>]quinoline diastereoisomers","Acta Crystallographica Section C","2004","60","12","o887","o889","10.1107/S0108270104023789","","","0.71073","MoKα","","0.0545","0.0495","","","0.1319","0.1362","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014543","9.6497","0.0007","12.1378","0.0005","16.5063","0.0011","90","","90","","90","","1933.3","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-(3-Methylpteridin-4-one-2-yl)glycine","","- C9 H9 N5 O3 -","- C9 H9 N5 O3 -","- C72 H72 N40 O24 -","8","1","SK1769","Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(3-Methyl-4-oxo-3,4-dihydropteridin-2-yl)glycine: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(30) rings","Acta Crystallographica Section C","2004","60","11","o795","o797","10.1107/S010827010402222X","","","0.71073","MoKα","","0.1075","0.0697","","","0.0969","0.106","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014544","12.3581","0.0009","16.7472","0.0013","14.743","0.0011","90","","93.156","0.002","90","","3046.6","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","di-μ-hydroxo-bis{[N,N'-bis(di-1-piperidylmethylene)propane-1,3-diamine- κ^2^N,N']copper(II)} bis(hexafluorophosphate)","","- C50 H94 Cu2 F12 N12 O2 P2 -","- C50 H94 Cu2 F12 N12 O2 P2 -","- C100 H188 Cu4 F24 N24 O4 P4 -","2","0.5","SK1771","Herres, Sonja; Flörke, Ulrich; Henkel, Gerald","The first di-μ-hydroxo-bridged binuclear copper complex containing a bis-guanidine ligand","Acta Crystallographica Section C","2004","60","12","m659","m660","10.1107/S0108270104023832","","","0.71073","MoKα","","0.0925","0.0553","","","0.1375","0.1614","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014545","8.6962","0.0003","20.5493","0.0006","21.7392","0.0005","69.597","0.002","88.587","0.002","78.962","0.003","3569.99","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trityl losartan","2-butyl-4-chloro-3-[2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-ylmethyl]- 1H-imidazol-5-ylmethanol","","- C41 H37 Cl N6 O -","- C41 H37 Cl N6 O -","- C164 H148 Cl4 N24 O4 -","4","2","SK1772","Sieroń, Lesław; Nagaraj, B.; Prabhuswamy, B.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Gaonkar, S. L.","Trityl losartan","Acta Crystallographica Section C","2004","60","11","o821","o823","10.1107/S0108270104024096","","","0.71073","MoKα","","0.0688","0.0483","","","0.1299","0.1431","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014546","18.91","0.001","5.1093","0.0002","17.0632","0.0009","90","","90.885","0.003","90","","1648.4","0.14","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Phenyl-4H,6H-1,2,4-oxadiazolin-5-one","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C72 H64 N16 O16 -","8","1","SK1774","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","3-Phenyl-4<i>H</i>,6<i>H</i>-1,2,4-oxadiazol-5-one","Acta Crystallographica Section C","2004","60","11","o818","o820","10.1107/S0108270104023406","","","0.71073","MoKα","","0.1019","0.0532","","","0.1157","0.1358","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014547","11.4147","0.0003","12.9907","0.0004","14.2937","0.0005","90","","90.29","0.002","90","","2119.51","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Barium clodronate","Poly[[tetraaqua(μ~7~-hydrogen dichloromethylenebisphosphonato)(μ~5~-hydrogen dichloromethylenebisphosphonato)tribarium(II)] monohydrate]","","- C2 H12 Ba3 Cl4 O17 P4 -","- C2 H12 Ba3 Cl4 O17 P4 -","- C8 H48 Ba12 Cl16 O68 P16 -","4","1","SK1775","Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","Poly[[tetraaqua(μ~7~-hydrogen dichloromethylenebisphosphonato)(μ~5~-hydrogen dichloromethylenebisphosphonato)tribarium(II)] monohydrate]","Acta Crystallographica Section C","2004","60","11","m592","m594","10.1107/S0108270104023704","","","0.71073","MoKα","","0.0312","0.0263","","","0.056","0.0574","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014548","21.247","0.0011","5.8263","0.0003","11.4131","0.0006","90","","98.197","0.003","90","","1398.41","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Bromophenyl)-6,7-dihydro-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","SK1778","Low, John N.; Cobo, Justo; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","6-(4-Bromophenyl)-6,7-dihydro-1,3-dioxolo[4,5-<i>g</i>]quinolin-8(5<i>H</i>)-one: bilayers built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","11","o827","o829","10.1107/S0108270104024564","","","0.71073","MoKα","","0.0712","0.0455","","","0.1095","0.1308","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014549","8.2208","0.0002","13.0786","0.0004","13.9233","0.0004","90","","90","","90","","1496.99","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrophthalimide","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C64 H32 N16 O32 -","8","1","SK1783","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Isomeric nitrophthalimides: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","12","o872","o875","10.1107/S0108270104026137","","","0.71073","MoKα","","0.0455","0.0392","","","0.0959","0.0989","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014550","5.3114","0.0003","5.6812","0.0005","24.645","0.002","90","","90","","90","","743.67","0.1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrophthalimide","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C32 H16 N8 O16 -","4","1","SK1783","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Isomeric nitrophthalimides: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","12","o872","o875","10.1107/S0108270104026137","","","0.71073","MoKα","","0.0623","0.0432","","","0.1013","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014551","13.583","0.0003","21.127","0.0005","6.817","0.0002","90","","116.552","0.0011","90","","1749.93","0.08","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KAPdimerneedle","Potassium hydrogen diphthalate dihydrate","","- C16 H15 K O10 -","- C16 H15 K O10 -","- C64 H60 K4 O40 -","4","0.5","SQ1160","Jason B. Benedict; Theresa Bullard; Werner Kaminsky; Bart Kahr","Potassium hydrogen diphthalate dihydrate: a new structure and correction to the literature","Acta Crystallographica Section C","2004","60","11","m551","m553","10.1107/S0108270104019043","","","0.71073","MoKα","","0.0447","0.0305","","","0.0767","0.0819","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014552","3.9069","0.0001","13.4984","0.0005","20.936","0.0009","90","","91.733","0.002","90","","1103.59","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,6-dimethoxy-2H-furo[2,3-h]-1-benzopyran-2-one","","- C13 H10 O5 -","- C13 H10 O5 -","- C52 H40 O20 -","4","1","SQ1167","Oliveira, P. E. S. de; Conserva, L.M.; De Simone, C.A.; Pereira, M.A.; Malta, V.R.S.; Imbroisi, D.O.","A pimpinellin monomer and dimer isolated from the roots of <i>Esenbeckia grandiflora</i>","Acta Crystallographica Section C","2004","60","12","o900","o902","10.1107/S0108270104023777","","","0.71073","MoKα","","0.0916","0.0557","","","0.1328","0.1529","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014553","9.205","0.002","14.285","0.004","17.978","0.005","84","0.01","83.28","0.01","77.66","0.01","2285.8","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5,5',6,6'-tetramethoxy-3,3',4,4'-tetrahydro-2H,2'H-3,3':4,4'- bi(furo[2,3-h]-1-benzopyran)-2,2'-dione","","- C26 H20 O10 -","- C26 H20 O10 -","- C104 H80 O40 -","4","2","SQ1167","Oliveira, P. E. S. de; Conserva, L.M.; De Simone, C.A.; Pereira, M.A.; Malta, V.R.S.; Imbroisi, D.O.","A pimpinellin monomer and dimer isolated from the roots of <i>Esenbeckia grandiflora</i>","Acta Crystallographica Section C","2004","60","12","o900","o902","10.1107/S0108270104023777","","","0.71073","MoKα","","0.1934","0.0764","","","0.1394","0.1825","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014554","5.8204","0.0004","7.4391","0.0007","11.2946","0.0008","72.537","0.006","81.447","0.006","87.282","0.006","461.31","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","calcium(II) thiosulphate hexahydrate","calcium(II) thiosulfate hexahydrate","","- Ca H12 O9 S2 -","- Ca H12 O9 S2 -","- Ca2 H24 O18 S4 -","2","1","SQ1168","Held, Peter; Bohatý, Ladislav","Calcium and strontium thiosulfate, CaS~2~O~3~·6H~2~O and SrS~2~O~3~·5H~2~O","Acta Crystallographica Section C","2004","60","10","i97","i100","10.1107/S0108270104017986","","","0.71073","MoKα","","0.0237","0.0192","","","0.0509","0.0529","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014555","21.005","0.003","8.1371","0.0006","10.587","0.001","90","","107.78","0.01","90","","1723.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","strontium(II) thiosulfate pentahydrate","strontium(II) thiosulfate pentahydrate","","- H10 O8 S2 Sr -","- H10 O8 S2 Sr -","- H80 O64 S16 Sr8 -","8","1","SQ1168","Held, Peter; Bohatý, Ladislav","Calcium and strontium thiosulfate, CaS~2~O~3~·6H~2~O and SrS~2~O~3~·5H~2~O","Acta Crystallographica Section C","2004","60","10","i97","i100","10.1107/S0108270104017986","","","0.71073","MoKα","","0.0969","0.0307","","","0.0615","0.0822","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014556","8.753","0.003","8.89","0.003","10.83","0.004","85.44","0.03","69.76","0.02","63.65","0.03","705.8","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-cyano-3-[4-(N,N-diethylamino)phenyl]prop-2-enethioamide","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C28 H34 N6 S2 -","2","1","SQ1169","Nesterov, Vladimir N.; Nesterov, Volodymyr V.","Polymorphism and solvolysis of 2-cyano-3-[4-(<i>N</i>,<i>N</i>-diethylamino)phenyl]prop-2-enethioamide","Acta Crystallographica Section C","2004","60","11","o781","o785","10.1107/S010827010402150X","","","0.71073","MoKα","","0.0556","0.035","","","0.0936","0.0984","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014557","9.167","0.0018","13.023","0.003","12.172","0.002","90","","93.97","0.03","90","","1449.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-cyano-3-[4-(N,N-diethylamino)phenyl]prop-2-enethioamide","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","SQ1169","Nesterov, Vladimir N.; Nesterov, Volodymyr V.","Polymorphism and solvolysis of 2-cyano-3-[4-(<i>N</i>,<i>N</i>-diethylamino)phenyl]prop-2-enethioamide","Acta Crystallographica Section C","2004","60","11","o781","o785","10.1107/S010827010402150X","","","0.71073","MoKα","","0.0607","0.0384","","","0.1005","0.1131","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014558","39.37","0.008","8.88","0.0018","17.056","0.003","90","","101.19","0.03","90","","5850","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-cyano-3-[4-(N,N-diethylamino)phenyl]prop-2-enethioamide acetonitrile 0.25-solvate","","- C14.5 H17.75 N3.25 S -","- C14.5 H17.75 N3.25 S -","- C232 H284 N52 S16 -","16","2","SQ1169","Nesterov, Vladimir N.; Nesterov, Volodymyr V.","Polymorphism and solvolysis of 2-cyano-3-[4-(<i>N</i>,<i>N</i>-diethylamino)phenyl]prop-2-enethioamide","Acta Crystallographica Section C","2004","60","11","o781","o785","10.1107/S010827010402150X","","","0.71073","MoKα","","0.1504","0.0503","","","0.1184","0.1485","","","","","","0.992","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014559","17.598","0.005","7.374","0.002","14.771","0.004","90","","101.894","0.004","90","","1875.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(quinoxaline-κN)cobalt(II)]-di-(μ-dicyanamide-κ^2^N^1^:N^5^)]","","- C20 H12 Co N10 -","- C20 H12 Co N10 -","- C80 H48 Co4 N40 -","4","0.5","SQ1171","Luo, Jun; Liu, Bao-Shu; Zhou, Xi-Geng; Weng, Lin-Hong; Li, Yan-Rong; Wu, Hui-Xia","<i>catena</i>-Poly[[bis(quinoxaline-κ<i>N</i>)cobalt(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] and <i>catena</i>-poly[[bis(quinoxaline-κ<i>N</i>)copper(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section C","2004","60","10","m520","m522","10.1107/S0108270104020657","","","0.71073","MoKα","","0.0714","0.0489","","","0.0971","0.105","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014560","18.205","0.004","7.2185","0.0016","14.766","0.003","90","","102.73","0.004","90","","1892.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-poly[[bis(quinoxaline-κN)copper(II)]-di-(μ-dicyanamide-κ^2^N^1^:N^5^)]","","- C20 H12 Cu N10 -","- C20 H12 Cu N10 -","- C80 H48 Cu4 N40 -","4","0.5","SQ1171","Luo, Jun; Liu, Bao-Shu; Zhou, Xi-Geng; Weng, Lin-Hong; Li, Yan-Rong; Wu, Hui-Xia","<i>catena</i>-Poly[[bis(quinoxaline-κ<i>N</i>)cobalt(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] and <i>catena</i>-poly[[bis(quinoxaline-κ<i>N</i>)copper(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section C","2004","60","10","m520","m522","10.1107/S0108270104020657","","","0.71073","MoKα","","0.0657","0.0406","","","0.0884","0.098","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014561","5.3049","0.0007","7.4485","0.0009","5.2537","0.0006","90","","90","","90","","207.59","0.04","295","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al Gd O3 -","- Al Gd O3 -","- Al4 Gd4 O12 -","4","0.5","SQ1172","Douglas du Boulay; Nobuo Ishizawa; Edward N. Maslen; Deceased 2 February 1997","GdAlO~3~ perovskite","Acta Crystallographica Section C","2004","60","12","i120","i122","10.1107/S0108270104025144","","","0.7","synchrotron","","0.0117","0.0117","","0.0085","","0.0085","","","2.0623","","","2.0623","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014562","7.992","0.002","12.704","0.003","9.471","0.002","90","","99.68","0.03","90","","947.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine","2,3-dimethoxystrychnidin-10-one","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C46 H52 N4 O8 -","2","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0427","0.0397","","","0.0864","0.0887","","","","","","1.097","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014563","12.765","0.003","7.136","0.0014","13.686","0.003","90","","114.35","0.03","90","","1135.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine acetone solvate","2,3-dimethoxystrychnidin-10-one acetone solvate","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C52 H64 N4 O10 -","2","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0306","0.0297","","","0.0798","0.0805","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014564","7.9297","0.0003","12.3289","0.0007","25.1631","0.001","90","","90","","90","","2460.06","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucine 2-propanol solvate dihydrate","2,3-dimethoxystrychnidin-10-one 2-propanol solvate dihydrate","","- C26 H38 N2 O7 -","- C26 H38 N2 O7 -","- C104 H152 N8 O28 -","4","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0318","0.029","","","0.0727","0.074","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014565","5.703","0.003","10.313","0.005","12.805","0.006","86.978","0.006","84.452","0.007","77.115","0.007","730.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[di-μ-benzoato-κ^4^O:O'-disilver(I)]-μ-N,N'- bis(2-fluorobenzylidene)butane-1,4-diamine-κ^2^N:N']","","- C32 H28 Ag2 F2 N2 O4 -","- C32 H28 Ag2 F2 N2 O4 -","- C32 H28 Ag2 F2 N2 O4 -","1","0.5","SQ1176","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[di-μ-benzoato-κ^4^<i>O</i>:<i>O</i>'-disilver(I)]-μ-<i>N</i>,<i>N</i>'-bis(2-fluorobenzylidene)butane-1,4-diamine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m567","m568","10.1107/S0108270104023066","","","0.71073","MoKα","","0.0948","0.0801","","","0.2007","0.2149","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014566","18.63","0.004","7.25","0.003","9.552","0.002","90","","101.17","0.03","90","","1265.7","0.7","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","catena-Poly[[[μ-pyrazine-κ^2^N:N'-disilver(I)]-di-μ-pyrazine-κ^4^N:N'] bis(trifluoromethanesulfonate) dihydrate]","","- C7 H8 Ag F3 N3 O4 S -","- C14 H16 Ag2 F6 N6 O8 S2 -","- C28 H32 Ag4 F12 N12 O16 S4 -","2","0.25","SQ1178","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>catena</i>-Poly[[[μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'-disilver(I)]-di-μ-pyrazine-κ^4^<i>N</i>:<i>N</i>'] bis(trifluoromethanesulfonate) dihydrate]","Acta Crystallographica Section C","2004","60","12","m620","m622","10.1107/S0108270104025089","","","0.71073","MoKα","","0.0479","0.0447","","","0.1111","0.1134","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014567","11.166","0.005","14.852","0.007","8.636","0.004","90","","97.89","0.04","90","","1418.6","1.1","297","1","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[(R)-3,5-dichloro-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O)]copper(II)","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","SQ1180","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(<i>R</i>)-3,5-dichloro-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II) and bis[(<i>R</i>)-3-ethoxy-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section C","2004","60","12","m640","m642","10.1107/S0108270104026575","","","0.7107","MoKα","","","0.0343","","","","0.093","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014568","9.227","0.004","42.38","0.01","8.035","0.003","90","","103.67","0.03","90","","3053","1.9","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis[(R)-3-ethoxy-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O)]copper(II)","","- C34 H36 Cu N2 O4 -","- C34 H36 Cu N2 O4 -","- C136 H144 Cu4 N8 O16 -","4","2","SQ1180","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(<i>R</i>)-3,5-dichloro-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II) and bis[(<i>R</i>)-3-ethoxy-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section C","2004","60","12","m640","m642","10.1107/S0108270104026575","","","0.7107","MoKα","","","0.0661","","","","0.242","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014569","14.552","0.005","4.61","0.002","15.989","0.005","90","","109.86","0.03","90","","1008.8","0.7","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","cyclo-(3-Methylsaligenyl)-5-O-[1-(2,4-difluoro-5-iodophenyl)-2 -deoxy-β-D-ribofuranosyl]-(S)-phosphate","(2S)-2-[1-(2,4-Difluoro-5-iodophenyl)-2-deoxy-β-D-ribofuranos-5-yl]-8- methyl-4H-1,3,2-benzodioxaphosphole 2-oxide","","- C19 H18 F2 I O6 P -","- C19 H18 F2 I O6 P -","- C38 H36 F4 I2 O12 P2 -","2","1","SX1133","Ohkura, Kazue; Sun, Wei-Yan; Seki, Koh-ichi; Knaus, Edward E.; Wiebe, Leonard I.","(2<i>S</i>)-2-[1-(2,4-Difluoro-5-iodophenyl)-2-deoxy-β-<small>D</small>-ribofuranos-5-yloxy]-8-methyl-4<i>H</i>-1,3,2-benzodioxaphosphole 2-oxide","Acta Crystallographica Section C","2004","60","11","o789","o791","10.1107/S0108270104021602","","","0.7107","MoKα","","","0.037","","","","0.096","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014570","5.0475","0.0009","10.0957","0.0009","13.735","0.003","88.674","0.012","83.414","0.019","85.922","0.01","693.5","0.2","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C24 H48 N4 O8 -","2","1","SX1143","Štefanić, Zoran; Meden, Anton; Lutz, Martin; Schreurs, Antoine M.M.; Kojić-Prodić, Biserka","The twinned crystal structure of <i>rac</i>-(<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>'-oxalyldivalinol","Acta Crystallographica Section C","2004","60","10","o754","o756","10.1107/S0108270104020141","","","0.71073","MoKα","","","0.0626","","","","0.1255","","","","","","1.212","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014571","6.2531","0.001","13.738","0.002","8.8997","0.0014","90","","98.281","0.003","90","","756.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(4R)-3-Allenyl-4-(diphenylmethyl)oxazolidin-2-one","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","SX1144","Tracey, Michael R.; Grebe, Tyler P.; Brennessel, William W.; Hsung, Richard P.","(4<i>R</i>)-3-Allenyl-4-(diphenylmethyl)oxazolidin-2-one, an unsubstituted allenamide","Acta Crystallographica Section C","2004","60","11","o830","o832","10.1107/S0108270104023121","","","0.71073","MoKα","","0.0424","0.0337","","","0.0751","0.079","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014572","10.523","0.003","6.0404","0.0015","11.231","0.003","90","","94.478","0.005","90","","711.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R,7S,8S,9S)-7-hydroxy-8-hydroxymethyl-4-methyl-perhydrocyclopenta[c]pyran- 1-one chloroform solvate","","- C11 H17 Cl3 O4 -","- C11 H17 Cl3 O4 -","- C22 H34 Cl6 O8 -","2","1","SX1145","Khera, Smriti; Carducci, Michael D.; Gu, Jian-Qiao; Timmermann, Barbara N.","(4<i>R</i>,4a<i>R</i>,6<i>S</i>,7<i>S</i>,7a<i>S</i>)-6-Hydroxy-7-hydroxymethyl-4-methylperhydrocyclopenta[<i>c</i>]pyran-1-one chloroform solvate from <i>Valeriana laxiflora</i>","Acta Crystallographica Section C","2004","60","11","o773","o775","10.1107/S0108270104021511","","","0.71073","MoKα","","0.1205","0.0621","","","0.0899","0.1042","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014573","9.248","0.001","9.317","0.001","11.612","0.001","90","","90","","90","","1000.53","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,8aS)-4a-Methyl-3-methyleneperhydrochromen-2-one","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","SX1146","Krawczyk, Henryk; Śliwiński, Marcin; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. II. (4a<i>S</i>,8a<i>S</i>)-4a-Methyl-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2004","60","12","o897","o899","10.1107/S0108270104027027","","","1.54178","CuKα","","0.029","0.0287","","","0.0876","0.0882","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014574","5.3382","0.0013","6.3827","0.0016","36.741","0.009","90","","90","","90","","1251.8","0.5","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Seryl-L-phenylalanine","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","1","SX1147","Helle, Ina Høydal; Løkken, Camilla Victoria; Görbitz, Carl Henrik; Dalhus, Bjørn","<small>L</small>-Seryl-<small>L</small>-phenylalanine","Acta Crystallographica Section C","2004","60","10","o771","o772","10.1107/S0108270104021523","","","0.71073","MoKα","","0.0438","0.0383","","","0.0955","0.0982","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014575","7.9765","0.0016","9.8921","0.0014","7.22","0.002","90","","102.22","0.02","90","","556.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(chloroacetoxy)butane","Butane-1,4-diyl bis(chloroacetate)","","- C8 H12 Cl2 O4 -","- C8 H12 Cl2 O4 -","- C16 H24 Cl4 O8 -","2","0.5","SX1149","Urpí, Lourdes; Martínez-Palau, Meritxell; Font-Bardia, Mercè; Puiggalí, Jordi","Butane-1,4-diyl bis(chloroacetate)","Acta Crystallographica Section C","2004","60","12","o847","o849","10.1107/S0108270104024709","","","0.71073","MoKα","","0.128","0.0529","","","0.1138","0.1383","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014576","5.274","0.0001","7.022","0.0002","24.233","0.0007","90","","90","","90","","897.45","0.04","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","L-Methioninium chloride","(S)-1-Carboxy-3-(methylsulfanyl)propanaminium chloride","","- C5 H12 Cl N O2 S -","- C5 H12 Cl N O2 S -","- C20 H48 Cl4 N4 O8 S4 -","4","1","SX1150","Chruszcz, Maksymilian; Cymborowski, Marcin; Gawlicka-Chruszcz, Anna; Yasukawa, Shoichi; Ferrara, Joseph D.; Minor, Wladek","<small>L</small>-Methioninium chloride and <small>L</small>-selenomethioninium chloride at 103K","Acta Crystallographica Section C","2004","60","12","o868","o871","10.1107/S0108270104025223","","","0.71073","MoKα","","0.0191","0.0186","","","0.0496","0.0498","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014577","5.237","0.0005","7.066","0.0003","25.096","0.0012","90","","90","","90","","928.67","0.11","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","L-Selenomethioninium chloride","(S)-1-Carboxy-3-(methylselanyl)propanaminium chloride","","- C5 H12 Cl N O2 Se -","- C5 H12 Cl N O2 Se -","- C20 H48 Cl4 N4 O8 Se4 -","4","1","SX1150","Chruszcz, Maksymilian; Cymborowski, Marcin; Gawlicka-Chruszcz, Anna; Yasukawa, Shoichi; Ferrara, Joseph D.; Minor, Wladek","<small>L</small>-Methioninium chloride and <small>L</small>-selenomethioninium chloride at 103K","Acta Crystallographica Section C","2004","60","12","o868","o871","10.1107/S0108270104025223","","","0.71073","MoKα","","0.0284","0.0264","","","0.068","0.0691","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014578","4.9302","0.0009","10.993","0.002","9.436","0.0016","90","","98.62","0.02","90","","505.63","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Aza-2'-deoxy-2'-arabinofluorouridine","2-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione","","- C8 H10 F N3 O5 -","- C8 H10 F N3 O5 -","- C16 H20 F2 N6 O10 -","2","1","SX1151","Seela, Frank; Chittepu, Padmaja; He, Junlin; Eickmeier, Henning","6-Aza-2'-deoxy-2'-arabinofluorouridine, a 2'-deoxyribonucleoside with an N-sugar conformation in the solid state and in solution","Acta Crystallographica Section C","2004","60","12","o884","o886","10.1107/S0108270104023649","","","0.71073","MoKα","","0.0348","0.0338","","","0.0931","0.0943","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014579","23.7595","0.0009","24.2234","0.0008","9.3546","0.0003","90","","90","","90","","5383.9","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,11,17,23-tetra-tert-butyl-25-methoxycarbonylmethoxy-26,27,28- trihydroxycalix[4]arene chloroform trisolvate","","- C50 H63 Cl9 O6 -","- C50 H63 Cl9 O6 -","- C200 H252 Cl36 O24 -","4","1","SX1158","Ben Othman, Amel; Cheriaa, Najah; Abidi, Rym; Vicens, Jacques; Thuéry, Pierre","Self-inclusion in 5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxy-25-(methoxycarbonylmethoxy)calix[4]arene chloroform trisolvate","Acta Crystallographica Section C","2004","60","12","o859","o861","10.1107/S0108270104026356","","","0.71073","MoKα","","0.0711","0.0475","","","0.1096","0.1253","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014580","12.95","0.003","8.036","0.003","20.436","0.006","90","","90.14","0.02","90","","2126.7","1.1","296","","","","","","","","","","","3","C 1 2 1","C 2y","5","Swertisin dihydrate","6-C-glucopyranosyl-7-O-methylapigenin dihydrate","","- C22 H26 O12 -","- C22 H26 O12 -","- C88 H104 O48 -","4","1","SX1162","Ohba, Shigeru; Yoshida, Kumi; Kondo, Tadao","Swertisin dihydrate","Acta Crystallographica Section C","2004","60","12","o893","o896","10.1107/S0108270104028355","","","0.71073","MoKα","","","0.0454","","","","0.1348","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014581","24.309","0.01","10.161","0.004","9.326","0.004","90","","100.677","0.007","90","","2263.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,2'-Diphenic Acid Benzidine Manganese(II)","Poly[manganese(II)-μ~3~-μ~2~-benzidine-k^2^N,N'-2,2'-biphenyldicarboxylato- κ^4^O:O',O'':O''']","","- C26 H20 Mn N2 O4 -","- C26 H20 Mn N2 O4 -","- C104 H80 Mn4 N8 O16 -","4","0.5","TA1439","Jiang, Min; Li, Jun; Zhang, Feng-Xing","Poly[manganese(II)-μ~2~-benzidine-κ^2^<i>N</i>:<i>N</i>'-μ~3~-biphenyl-2,2'-dicarboxylato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']","Acta Crystallographica Section C","2004","60","10","m501","m503","10.1107/S0108270104020050","","","0.71073","MoKα","","0.0685","0.0415","","","0.0778","0.083","","","","","","0.865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014582","9.458","0.003","10.381","0.003","12.838","0.003","88.402","0.005","74.831","0.004","63.064","0.004","1078.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[bis(μ~4~-dimethylglyoximato)bis(μ~2~- dimethylglyoximato)bis(dimethylglyoxime)tetracopper(II) diperchlorate dihydrate","","- C24 H46 Cl2 Cu4 N12 O22 -","- C24 H46 Cl2 Cu4 N12 O22 -","- C24 H46 Cl2 Cu4 N12 O22 -","1","0.5","TA1453","Zhang, Bao-Feng; Xie, Cheng-Zhi; Liu, Xuan-Wen; Wang, Xiao-Qing; Wang, Ru-Ji; Shen, Guang-Qiu; Shen, De-Zhong","A novel one-dimensional zigzag coordination polymer of copper(II) with dimethylglyoxime","Acta Crystallographica Section C","2004","60","10","m546","m548","10.1107/S0108270104021456","","","0.71073","MoKα","","0.0662","0.0444","","","0.0849","0.0929","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014583","9.37","0.002","9.793","0.002","13.86","0.004","98.02","0.02","93.61","0.03","99.63","0.02","1236.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)] trans-bis(2-{[(E)-(5-formyl-2- oxido-κO-phenyl)methylidene]amino-κN}ethanesulfonato(2-))copper(II) hexahydrate","","- C44 H52 Cu3 N6 O20 S2 -","- C44 H46 Cu3 N6 O20 S2 -","- C44 H46 Cu3 N6 O20 S2 -","1","0.5","TA1454","Jiang, Yi-Min; Zeng, Ju-Lan; Yu, Kai-Bei","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] <i>trans</i>-bis(2-{[(<i>E</i>)-5-formyl-2-oxido-κ<i>O</i>-benzylidene]amino-κ<i>N</i>}ethanesulfonato(2‒))copper(II) hexahydrate","Acta Crystallographica Section C","2004","60","10","m543","m545","10.1107/S0108270104021468","","","0.71073","MoKα","","0.0467","0.0342","","","0.0894","0.0919","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014584","8.072","0.005","8.279","0.005","11.327","0.005","76.195","0.005","73.134","0.005","74.199","0.005","686.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquadichloro(di-2-pyridyldiazene)copper(II) monohydrate","","- C10 H12 Cl2 Cu N4 O2 -","- C10 H12 Cl2 Cu N4 O2 -","- C20 H24 Cl4 Cu2 N8 O4 -","2","1","TA1463","Uçar, İbrahim; Arslan, Figen; Bulut, Ahmet; İçbudak, Hasan; Ölmez, Hali̇s; Büyükgüngör, Orhan","Aquadichloro(di-2-pyridyldiazene)copper(II) monohydrate","Acta Crystallographica Section C","2004","60","10","m523","m525","10.1107/S0108270104020840","","","0.71069","MoKα","","0.0555","0.0432","","","0.0956","0.1019","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014585","7.6931","0.0008","7.6931","0.0008","14.623","0.003","90","","90","","120","","749.5","0.19","296","2","296","2","","","","","","","","5","P 31","P 31","144","dipotassium hydrogen chromatoarsenate","dipotassium hydrogen chromatoarsenate","","- As Cr2 H K2 O10 -","- As Cr2 H K2 O10 -","- As3 Cr6 H3 K6 O30 -","3","1","TA1472","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Wu, P.; Photinos, P.; Abrahams, S. C.","K~2~[HCr~2~AsO~10~]: redetermination of phase II and the predicted structure of phase I","Acta Crystallographica Section C","2004","60","12","i113","i116","10.1107/S0108270104026368","","","0.71073","MoKα","","0.0505","0.0503","","","0.1292","0.1293","","","","","","1.292","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014586","7.6963","0.0009","7.6963","0.0009","14.6171","0.0011","90","","90","","120","","749.82","0.14","294","2","294","1","","","","","","","","5","P 32","P 32","145","dipotassium hydrogen chromatoarsenate","dipotassium hydrogen chromatoarsenate","","- As Cr2 H K2 O10 -","- As Cr2 H K2 O10 -","- As3 Cr6 H3 K6 O30 -","3","1","TA1472","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Wu, P.; Photinos, P.; Abrahams, S. C.","K~2~[HCr~2~AsO~10~]: redetermination of phase II and the predicted structure of phase I","Acta Crystallographica Section C","2004","60","12","i113","i116","10.1107/S0108270104026368","","","0.71073","MoKα","","0.0228","0.0206","","","0.0524","0.0531","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014587","10.5794","0.0004","10.5794","0.0004","14.0773","0.0012","90","","90","","90","","1575.58","0.16","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","N,N'-bis(ethoxythiocarbonyl)terephthalamide","O,O'-diethyl N,N'-(p-phenylenedicarbonyl)dithiocarbamate","","- C14 H16 N2 O4 S2 -","- C14 H16 N2 O4 S2 -","- C56 H64 N8 O16 S8 -","4","0.5","TA1474","Blewett, Gavin; Esterhuysen, Catharine; Bredenkamp, Martin W.; Koch, Klaus R.","The first bipodal thiocarbamic acid ester, <i>O</i>,<i>O</i>'-diethyl <i>N</i>,<i>N</i>'-(<i>p</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2004","60","12","o862","o864","10.1107/S0108270104026587","","","0.71073","MoKα","","0.0444","0.0413","","","0.1025","0.1042","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014588","9.554","0.0005","15.4561","0.0011","18.4412","0.0009","90","","90","","90","","2723.2","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[chloro(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-1,3- imidazolato-κ^2^N:N']","","- C15 H11 Cl Cu N4 -","- C15 H11 Cl Cu N4 -","- C120 H88 Cl8 Cu8 N32 -","8","1","TA1475","Hu, Mao-Lin; Cai, Xiao-Qing; Shi, Qian; Cheng, Ya-Qian","<i>catena</i>-Poly[[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-imidazolato-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m575","m577","10.1107/S010827010402311X","","","0.71073","MoKα","","0.0359","0.0297","","","0.0708","0.0737","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014589","10.511","0.003","13.707","0.004","15.551","0.005","72.785","0.004","82.336","0.004","78.048","0.005","2087.5","1.1","297","2","566","2","","","","","","","","6","P -1","-P 1","2","μ-iminodiacetato-1:2κ^4^O,N,O':O''-tris(1,10-phenanthroline)- 1κ^4^N,N';2κ^2^N,N'-dicopper(II) diperchlorate methanol solvate","μ-iminodiacetato-1:2κ^4^O,N,O':O''-tris(1,10-phenanthroline)- 1κ^4^N,N';2κ^2^N,N'-dicopper(II) diperchlorate methanol solvate","","- C41 H33 Cl2 Cu2 N7 O13 -","- C41 H33 Cl2 Cu2 N7 O13 -","- C82 H66 Cl4 Cu4 N14 O26 -","2","1","TR1091","Wei, Yi-Bin; Yuan, Cai-Xia; Yang, Pin","[Cu(phen)~2~(μ-IDA)Cu(phen)](ClO~4~)~2~·CH~3~OH: tridentate and monodentate binding to two copper(II) species by a bridging ligand","Acta Crystallographica Section C","2004","60","10","m512","m514","10.1107/S010827010402102X","","","0.71073","MoKα","","0.1248","0.0774","","","0.1592","0.179","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014590","10.6758","0.0012","13.5533","0.0015","21.255","0.002","90","","90","","90","","3075.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,R)-Tricarbonyl{η^6^-2-[1-diphenylphosphino-1- (diphenylphosphino)ethyl]benzene}chromium(0)","","- C35 H28 Cr O3 P2 -","- C35 H28 Cr O3 P2 -","- C140 H112 Cr4 O12 P8 -","4","1","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.0481","0.0416","","","0.0946","0.0979","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014591","14.3886","0.0006","14.3886","0.0006","76.056","0.004","90","","90","","90","","15746","1.2","110","2","110","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","(R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1- (diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate","","- C42.75 H39 B Cr F4 O3.75 P2 Rh -","- C42.75 H39 B Cr F4 O3.75 P2 Rh -","- C684 H624 B16 Cr16 F64 O60 P32 Rh16 -","16","2","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.1151","0.071","","","0.1552","0.1741","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014592","11.262","0.002","14.116","0.003","14.226","0.003","90","","107.81","0.03","90","","2153.2","0.8","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1- (diphenylphosphino)ethyl]benzene}[2(η^4^)-(Z,Z)-cycloocta-1,5- diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","","- C44.5 H46 B Cr F4 O4.5 P2 Rh -","- C44.5 H46 B Cr F4 O4.5 P2 Rh -","- C89 H92 B2 Cr2 F8 O9 P4 Rh2 -","2","1","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.044","0.0339","","","0.0705","0.0739","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014593","19.17","0.001","42.244","0.003","8.4475","0.0006","90","","90","","90","","6840.9","0.8","100","1","100","1","","","","","","","","4","F d d 2","F 2 -2d","43","","diphenyl(4-pyridyl)methyl methacrylate","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C352 H304 N16 O32 -","16","1","TR1099","Gobius du Sart, Gerrit; Alberda van Ekenstein, Gert O. R.; Meetsma, Auke; Ten Brinke, Gerrit","Two new polymorphs of diphenyl(4-pyridyl)methyl methacrylate","Acta Crystallographica Section C","2004","60","11","o824","o826","10.1107/S0108270104024217","","","0.71073","MoKα","","0.0438","0.0371","","","0.0823","0.0852","","","","","","1.064","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014594","16.712","0.002","11.891","0.001","17.724","0.002","90","","101.045","0.002","90","","3456.9","0.6","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diphenyl(4-pyridyl)methyl methacrylate","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","2","TR1099","Gobius du Sart, Gerrit; Alberda van Ekenstein, Gert O. R.; Meetsma, Auke; Ten Brinke, Gerrit","Two new polymorphs of diphenyl(4-pyridyl)methyl methacrylate","Acta Crystallographica Section C","2004","60","11","o824","o826","10.1107/S0108270104024217","","","0.71073","MoKα","","0.1494","0.1052","","","0.2443","0.265","","","","","","1.462","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014595","8.4713","0.0004","8.2489","0.0004","8.0805","0.0004","90","","96.093","0.001","90","","561.47","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diamine zinc(II) hydrogen phosphite","","- C2 H7 N O3 P Zn -","- C2 H7 N O3 P Zn -","- C8 H28 N4 O12 P4 Zn4 -","4","1","TR1100","Ritchie, Lyndsey K.; Harrison, William T. A.","Butane-1,4-diamine zinc(II) hydrogen phosphite","Acta Crystallographica Section C","2004","60","12","m634","m636","10.1107/S0108270104024862","","","0.71073","MoKα","","0.026","0.0191","","","0.0478","0.0494","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014596","10.001","0.002","22.861","0.005","10.844","0.002","90","","103.57","0.03","90","","2410.1","0.9","200","3","200","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^N,N')(oxalato-κ^2^O,O')cobalt(II) pentahydrate","","- C22 H26 Co N4 O9 -","- C22 H26 Co N4 O9 -","- C88 H104 Co4 N16 O36 -","4","1","TR1107","Šestan, Marijana; Giester, Gerald; Perić, Berislav","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) pentahydrate","Acta Crystallographica Section C","2004","60","11","m595","m597","10.1107/S0108270104025181","","","0.71073","MoKα","","0.0754","0.0403","","","0.1033","0.1366","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019352","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Madsen, Anders Østergaard; Sørensen, Henning Osholm; Flensburg, Claus; Stewart, Robert F.; Larsen, Sine","Modeling of the nuclear parameters for H atoms in X-ray charge-density studies","Acta Crystallographica Section A Foundations of Crystallography","2004","60","6","550","561","10.1107/S0108767304018306","","","0.71073","MoKα","","0.0151","","","","","0.0125","","","","","","0.646","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019366","26.232","0.005","10.399","0.002","19.618","0.004","90","","119.45","0.03","90","","4660","2","110","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","2,4,6,8-tertaphenylbarbaralane","","","- C33 H26 -","- C33 H26 -","- C264 H208 -","8","1","","Luger, Peter; Messerschmidt, Marc; Scheins, Stephan; Wagner, Armin","High-resolution synchrotron data collection for charge-density work at 100 and 20 K","Acta Crystallographica Section A Foundations of Crystallography","2004","60","5","390","396","10.1107/S0108767304014825","","","0.56","Synchrotron","","","0.032","","","","0.046","","","","","","1.86","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019367","11.9115","0.0003","7.1876","0.0002","16.6236","0.0004","90","","100.045","0.001","90","","1401.41","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N7 O2 S3 -","- C8 H15 N7 O2 S3 -","- C32 H60 N28 O8 S12 -","4","1","","Overgaard, Jacob; Hibbs, David E.","The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine","Acta Crystallographica Section A Foundations of Crystallography","2004","60","5","480","487","10.1107/S0108767304017891","","","0.7107","MoKα","","0.04","0.023","","","0.021","0.021","","","","","","1.7","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019368","16.98","0.002","5.285","0.001","17.639","0.002","90","","116.416","0.001","90","","1417.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 N7 O2 S3 -","- C8 H15 N7 O2 S3 -","- C32 H60 N28 O8 S12 -","4","1","","Overgaard, Jacob; Hibbs, David E.","The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine","Acta Crystallographica Section A Foundations of Crystallography","2004","60","5","480","487","10.1107/S0108767304017891","","","0.7107","MoKα","","0.04","0.024","","","0.021","0.021","","","","","","1.62","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019369","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Birkedal, Henrik; Madsen, Dennis; Mathiesen, Ragnvald H.; Knudsen, Kenneth; Weber, Hans-Peter; Pattison, Philip; Schwarzenbach, Dieter","The charge density of urea from synchrotron diffraction data","Acta Crystallographica Section A Foundations of Crystallography","2004","60","5","371","381","10.1107/S0108767304015120","","","0.5996","synchrotron","","0.0204","","","","","0.0104","","","","","","1.1661","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2102215","14.027","0.001","14.027","0.001","7.088","0.001","90","","90","","120","","1207.8","0.2","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C36 H54 N18 O18 -","6","0.333333","BK5003","Fridman, Natalya; Kapon, Moshe; Sheynin, Yana; Kaftory, Menahem","Different packing in three polymorphs of 2,4,6-trimethoxy-1,3,5-triazine","Acta Crystallographica Section B","2004","60","1","97","102","10.1107/S0108768103026284","","","0.71073","MoKα","","0.0379","0.032","","","0.0801","0.0818","","","","","","1.117","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102216","8.4484","0.0008","8.4322","0.0008","19.404","0.002","90","","90.539","0.007","90","","1382.3","0.2","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 Cl2 Fe N12 O8 -","- C20 H16 Cl2 Fe N12 O8 -","- C40 H32 Cl4 Fe2 N24 O16 -","2","1","BM5003","Money, Victoria A.; Radosavljevic Evans, Ivana; Elhaïk, Jerome; Halcrow, Malcolm A.; Howard, Judith A. K.","An X-ray powder diffraction study of the spin-crossover transition and structure of bis(2,6-dipyrazol-1-ylpyrazine)iron(II) perchlorate","Acta Crystallographica Section B","2004","60","1","41","45","10.1107/S0108768103027897","","","","","","","","","","","","","","3.58","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102217","10.1367","0.0003","10.1367","0.0003","11.705","0.0003","90","","90","","120","","1041.59","0.05","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","?","- Mo12 O48 Zr6 -","- Mo12 O48 Zr6 -","","","BM5004","Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans","Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~","Acta Crystallographica Section B","2004","60","1","32","40","10.1107/S0108768103025138","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102218","10.1043","0.0003","10.1043","0.0003","11.732","0.0003","90","","90","","120","","1037.33","0.05","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","?","- Hf6 Mo12 O48 -","- Hf6 Mo12 O48 -","","","BM5004","Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans","Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~","Acta Crystallographica Section B","2004","60","1","32","40","10.1107/S0108768103025138","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102219","5.846","0.0003","5.846","0.0003","5.9941","0.0003","90","","90","","120","","177.408","0.016","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","?","- Mo2 O8 Zr -","- Mo2 O8 Zr -","","","BM5004","Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans","Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~","Acta Crystallographica Section B","2004","60","1","32","40","10.1107/S0108768103025138","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102220","12.1473","0.0004","9.8811","0.0003","11.4068","0.0003","90","","96.649","0.0001","90","","1359.93","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(piperidino)pyrimidine","","- C14 H23 N5 -","- C14 H23 N5 -","- C56 H92 N20 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.0776","0.0494","","","0.1142","0.1281","","","","","","1.024","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102221","11.3545","0.0003","12.7528","0.0004","16.9511","0.0006","70.038","0.001","73.206","0.001","79.626","0.001","2199.62","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4,6-bis(3-pyridylmethoxy)pyrimidine","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C96 H90 N30 O12 -","6","3","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.1668","0.0583","","","0.114","0.148","","","","","","0.899","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102222","13.0037","0.0004","9.113","0.0003","12.4892","0.0003","90","","112.34","0.0012","90","","1368.92","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(morpholino)-5-nitrosopirimidine","","- C12 H18 N6 O3 -","- C12 H18 N6 O3 -","- C48 H72 N24 O12 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.0603","0.0426","","","0.1053","0.1141","","","","","","1.038","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102223","12.9416","0.0001","6.6816","0.0003","20.0033","0.0005","90","","113.302","0.0012","90","","1588.61","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(benzylamino)-5-nitrosopyrimidine","","- C18 H18 N6 O -","- C18 H18 N6 O -","- C72 H72 N24 O4 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.0799","0.0455","","","0.1059","0.1195","","","","","","1.013","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102224","6.881","0.002","9.14","0.003","24.4636","0.001","90","","90","","90","","1538.6","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Amino-5-nitroso-4,6-bis(3-pyridylmethoxy)pyrimidine","","- C16 H14 N6 O3 -","- C16 H14 N6 O3 -","- C64 H56 N24 O12 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.0922","0.0487","","","0.0882","0.1003","","","","","","1.004","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102225","9.6487","0.0001","14.8594","0.0002","7.3497","0.0002","90","","101.097","0.001","90","","1034.05","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(2-hydroxyethylamino)-5-nitrosopyrimidine","","- C8 H14 N6 O3 -","- C8 H14 N6 O3 -","- C32 H56 N24 O12 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.078","0.0656","","","0.169","0.1804","","","","","","1.039","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102226","8.8604","0.0002","6.8025","0.0001","27.8239","0.0006","90","","91.044","0.001","90","","1676.75","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclam/adamantane-1-carboxylic acid/water (1/2/4)","","- C32 H64 N4 O8 -","- C32 H64 N4 O8 -","- C64 H128 N8 O16 -","2","0.5","NA5008","Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions","Acta Crystallographica Section B","2004","60","1","65","75","10.1107/S0108768103026739","","","0.71073","MoKα","","0.0646","0.0453","","","0.1128","0.124","","","","","","1.045","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102227","19.6462","0.0008","9.0374","0.0004","15.2051","0.0007","90","","94.127","0.002","90","","2692.7","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cyclam/4-aminobenzoic acid/water (1/2/1)","","- C24 H40 N6 O5 -","- C24 H40 N6 O5 -","- C96 H160 N24 O20 -","4","0.5","NA5008","Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions","Acta Crystallographica Section B","2004","60","1","65","75","10.1107/S0108768103026739","","","0.71073","MoKα","","0.075","0.0473","","","0.1042","0.1172","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102228","9.149","0.0002","12.8557","0.0004","12.4022","0.0004","90","","113.854","0.0019","90","","1334.1","0.07","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","Cyclam/3-hydroxybenzoic acid/water (1/2/2)","","- C24 H40 N4 O8 -","- C24 H40 N4 O8 -","- C48 H80 N8 O16 -","2","1","NA5008","Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions","Acta Crystallographica Section B","2004","60","1","65","75","10.1107/S0108768103026739","","","0.71073","MoKα","","0.0459","0.0373","","","0.0981","0.1054","","","","","","0.964","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102229","9.7666","0.0003","13.9931","0.0006","15.9476","0.0006","90","","102.28","0.002","90","","2129.61","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclam/5-hydroxyisophthalic acid/methanol (1/1/1)","","- C19 H34 N4 O6 -","- C19 H34 N4 O6 -","- C76 H136 N16 O24 -","4","1","NA5008","Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions","Acta Crystallographica Section B","2004","60","1","65","75","10.1107/S0108768103026739","","","0.71073","MoKα","","0.1093","0.0613","","","0.1601","0.1929","","","","","","1.053","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102230","7.454","0.0007","7.6148","0.0011","12.5939","0.0017","95.85","0.006","97.04","0.008","110.038","0.008","658.52","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 Ca N10 O16 -","- C14 H32 Ca N10 O16 -","- C14 H32 Ca N10 O16 -","1","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.1647","0.0566","","","0.1128","0.1496","","","","","","0.903","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102231","24.9613","0.0004","6.9157","0.0001","14.6427","0.0002","90","","93.149","0.001","90","","2523.88","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Ba N10 O14 -","- C14 H28 Ba N10 O14 -","- C56 H112 Ba4 N40 O56 -","4","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0828","0.0784","","","0.2058","0.2076","","","","","","1.187","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102232","30.2259","0.0011","6.4043","0.0002","7.3667","0.0003","90","","94.61","0.002","90","","1421.4","0.09","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H36 Ca N10 O16 -","- C18 H36 Ca N10 O16 -","- C36 H72 Ca2 N20 O32 -","2","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0785","0.0485","","","0.0872","0.096","","","","","","1.025","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102233","30.642","0.0005","6.4888","0.0001","7.3733","0.0001","90","","94.4319","0.0009","90","","1461.65","0.04","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H36 N10 O16 Sr -","- C18 H36 N10 O16 Sr -","- C36 H72 N20 O32 Sr2 -","2","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0282","0.0279","","","0.0688","0.069","","","","","","1.044","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102234","7.1387","0.0002","7.4974","0.0002","13.5644","0.0004","99.504","0.0009","94.308","0.001","99.6","0.0016","702.05","0.03","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H33.592 Ba N10 O17 -","- C16 H33.592 Ba N10 O17 -","- C16 H33.592 Ba N10 O17 -","1","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0311","0.0303","","","0.0698","0.0749","","","","","","1.014","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102235","12.9517","0.0003","7.702","0.0002","26.5416","0.0007","90","","97.277","0.0012","90","","2626.3","0.11","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 N12 O14 Sr -","- C18 H30 N12 O14 Sr -","- C72 H120 N48 O56 Sr4 -","4","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0681","0.0486","","","0.126","0.1344","","","","","","1.045","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102236","13.3918","0.0003","7.4669","0.0002","28.8211","0.0007","90","","103.131","0.001","90","","2806.62","0.12","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) glycylglycinato] diaquabariuium:","","- C18 H30 Ba N12 O14 -","- C18 H30 Ba N12 O14 -","- C72 H120 Ba4 N48 O56 -","4","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0382","0.0336","","","0.0834","0.0847","","","","","","1.236","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102237","7.5557","0.0003","13.9726","0.0006","29.4179","0.0012","90","","91.803","0.002","90","","3104.2","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H80.246 Ca2 N20 O28.123 -","- C40 H80 Ca2 N20 O28.123 -","- C80 H160 Ca4 N40 O56.246 -","2","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0402","0.0366","","","0.0832","0.0845","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102238","21.6978","0.0002","21.6978","0.0002","7.4057","0.0001","90","","90","","90","","3486.56","0.07","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H42 Ba N10 O15 S2 -","- C20 H42 Ba N10 O15 S2 -","- C80 H168 Ba4 N40 O60 S8 -","4","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0393","0.0359","","","0.0864","0.0885","","","","","","1.048","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102239","12.562","0.009","16.156","0.005","21.086","0.008","90","","90","0.003","90","","4279","4","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-monotiooxalyl-bis(L-leucine methyl ester)","","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","- C128 H224 N16 O40 S8 -","8","2","SN0036","Kojić-Prodić, Biserka; Perić, Berislav; Zoran Štefanić; Anton Meden; Makarević, Janja; Jokić, Milan; Žinić, Mladen","Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-monothiooxalyldileucine methyl ester and its dithio analogue","Acta Crystallographica Section B","2004","60","1","90","96","10.1107/S0108768103029173","","","1.54128","CuKα","","","0.0599","","","","0.174","","","","","","1.01","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102240","11.3877","0.0004","11.3877","0.0004","15.9829","0.0006","90","","90","","90","","2072.66","0.13","293","2","","","","","","","","","","5","P 41","P 4w","76","","N,N'-ditiooxalyl-bis(L-leucine methyl ester)","","- C16 H28 N2 O4 S2 -","- C16 H28 N2 O4 S2 -","- C64 H112 N8 O16 S8 -","4","1","SN0036","Kojić-Prodić, Biserka; Perić, Berislav; Zoran Štefanić; Anton Meden; Makarević, Janja; Jokić, Milan; Žinić, Mladen","Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-monothiooxalyldileucine methyl ester and its dithio analogue","Acta Crystallographica Section B","2004","60","1","90","96","10.1107/S0108768103029173","","","0.71069","MoKα","","","0.0381","","","","0.1115","","","","","","1.098","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102241","6.614","0.003","18.552","0.007","10.377","0.004","90","","107.47","0.03","90","","1214.6","0.9","291","1","291","1","","","","","","","","4","","","","quininium (R)-mandelate","6'-methoxy (8,9R)-cinchonan-9-ol","","- C28 H32 N2 O5 -","","","2","","SN5002","Schönleber, Andreas; Chapuis, Gervais","Quininium (<i>R</i>)-mandelate, a structure with large <i>Z</i>' described as an incommensurately modulated structure in (3+1)-dimensional superspace","Acta Crystallographica Section B","2004","60","1","108","120","10.1107/S0108768103027605","","","0.71069","MoKα","","0.1604","0.0742","","","0.0721","0.0794","","","","","","1.25","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102242","13.799","0.0006","5.6915","0.0002","9.4197","0.0004","90","","102.356","0.004","90","","722.66","0.05","298","","298","","100","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","0.97","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102243","13.7854","0.0012","5.6547","0.0006","9.4204","0.0009","90","","102.497","0.01","90","","716.94","0.12","298","","","","288000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102244","2.9005","0.0008","2.9005","","2.829","0.0013","90","","90","","120","","20.611","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102245","3.562","0.0008","3.562","","3.562","","90","","90","","90","","45.194","0.01","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102246","13.759","0.0009","5.5526","0.0005","9.4305","0.0006","90","","102.923","0.009","90","","702.22","0.09","298","","","","1162000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102247","2.8995","0.0006","2.8995","","2.8302","0.001","90","","90","","120","","20.607","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102248","3.5587","0.0005","3.5587","","3.5587","","90","","90","","90","","45.069","0.006","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102249","13.7496","0.0014","5.5234","0.0008","9.4344","0.0011","90","","103.019","0.014","90","","698.07","0.15","298","","","","1443000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102250","2.8978","0.0009","2.8978","","2.8306","0.0014","90","","90","","120","","20.585","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102251","3.556","0.0008","3.556","","3.556","","90","","90","","90","","44.96","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102252","13.7473","0.0014","5.5007","0.0008","9.4358","0.0012","90","","103.104","0.016","90","","694.95","0.16","298","","","","1663000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102253","2.899","0.0009","2.899","","2.8304","0.0013","90","","90","","120","","20.6","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102254","3.5551","0.0008","3.5551","","3.5551","","90","","90","","90","","44.93","0.03","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102255","13.7371","0.0011","5.4905","0.0006","9.4299","0.0009","90","","103.068","0.01","90","","692.82","0.12","298","","","","1804000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102256","2.8994","0.0012","2.8994","","2.8273","0.0018","90","","90","","120","","20.583","0.009","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102257","3.5554","0.0009","3.5554","","3.5554","","90","","90","","90","","44.94","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102258","5.4614","0.0002","5.46139","","20.0706","0.0011","90","","90","","120","","518.44","0.03","298","","","","1930000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102259","2.8974","0.0006","2.8974","","2.8295","0.001","90","","90","","120","","20.571","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102260","3.5543","0.0006","3.5543","","3.5543","","90","","90","","90","","44.9","0.02","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102261","13.8108","0.0014","5.6952","0.0007","9.4315","0.0009","90","","102.358","0.01","90","","724.65","0.14","298","","","","100","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102262","2.9017","0.0009","2.9017","","2.8339","0.0014","90","","90","","120","","20.664","0.008","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102263","3.5439","0.0011","3.5439","","3.5439","","90","","90","","90","","44.51","0.05","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102264","13.7849","0.0018","5.5692","0.0007","9.4445","0.001","90","","102.887","0.016","90","","706.8","0.16","298","","","","1000000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102265","2.903","0.0009","2.903","","2.8315","0.0014","90","","90","","120","","20.666","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102266","3.5421","0.0011","3.5421","","3.5421","","90","","90","","90","","44.44","0.05","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102267","5.4552","0.0002","5.45515","","20.0656","0.0013","90","","90","","120","","517.13","0.04","298","","","","2270000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3.00004 -","- O24 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102268","2.8993","0.0006","2.8993","","2.8314","0.001","90","","90","","120","","20.613","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102269","3.5382","0.0007","3.5382","","3.5382","","90","","90","","90","","44.294","0.009","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102270","5.4236","0.00019","5.4236","","19.9856","0.0011","90","","90","","120","","509.12","0.03","298","","","","3460000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3.00004 -","- O24 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102271","2.8974","0.0006","2.8974","","2.8297","0.0009","90","","90","","120","","20.572","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102272","3.5347","0.0007","3.5347","","3.5347","","90","","90","","90","","44.16","0.03","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102273","5.3925","0.0003","5.39246","","19.908","0.0015","90","","90","","120","","501.34","0.05","298","","","","4840000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O24 P6 Pb9 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102274","2.8952","0.0009","2.8952","","2.8294","0.0013","90","","90","","120","","20.539","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102275","3.5323","0.0008","3.5323","","3.5323","","90","","90","","90","","44.08","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102276","5.3651","0.0003","5.36513","","19.8407","0.0017","90","","90","","120","","494.59","0.05","298","","","","6260000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O24 P6 Pb9 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102277","2.8916","0.0009","2.8916","","2.8298","0.0015","90","","90","","120","","20.491","0.013","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102278","3.5276","0.0009","3.5276","","3.5276","","90","","90","","90","","43.897","0.011","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102279","13.8041","0.0014","5.6877","0.0007","9.4318","0.001","90","","102.373","0.011","90","","723.32","0.14","298","","","","100","","","","","","","3","C 1 2/c 1","-C 2yc","15","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102280","2.9017","0.0007","2.9017","","2.8286","0.0011","90","","90","","120","","20.626","0.006","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102281","3.5513","0.001","3.5513","","3.5513","","90","","90","","90","","44.79","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102282","13.7881","0.0015","5.5967","0.0007","9.4441","0.0009","90","","102.788","0.013","90","","710.7","0.14","298","","","","750000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102283","2.9003","0.0007","2.9003","","2.8311","","90","","90","","120","","20.625","0.006","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102284","3.5507","0.001","3.5507","","3.5507","","90","","90","","90","","44.77","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102285","13.7645","0.0014","5.5059","0.0007","9.4551","0.001","90","","103.126","0.015","90","","697.84","0.14","298","","","","1500000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102286","2.9008","0.0006","2.9008","","2.8295","0.001","90","","90","","120","","20.62","0.05","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102287","3.5474","0.0009","3.5474","","3.5474","","90","","90","","90","","44.64","0.04","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102288","5.4624","0.0002","5.4624","","20.0769","0.0011","90","","90","","120","","518.79","0.03","298","","","","1730000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102289","2.8987","0.0005","2.8987","","2.8295","0.0008","90","","90","","120","","20.589","0.004","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102290","3.5456","0.0006","3.5456","","3.5456","","90","","90","","90","","44.57","0.03","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102291","5.4415","0.0003","5.44152","","20.0312","0.0014","90","","90","","120","","513.66","0.05","298","","","","2240000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102292","2.8982","0.0006","2.8982","","2.8314","0.001","90","","90","","120","","20.596","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102293","3.5442","0.0008","3.5442","","3.5442","","90","","90","","90","","44.52","0.03","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102294","5.4274","0.0003","5.4274","","19.9933","0.0014","90","","90","","120","","510.03","0.05","298","","","","2620000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102295","2.8984","0.0006","2.8984","","2.8288","0.001","90","","90","","120","","20.58","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102296","3.5433","0.0009","3.5433","","3.5433","","90","","90","","90","","44.485","0.004","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102297","5.4368","0.0002","5.4368","","20.0175","0.001","90","","90","","120","","512.42","0.03","298","","","","2370000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102298","2.8979","0.0005","2.8979","","2.8289","0.0007","90","","90","","120","","20.574","0.004","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102299","3.5409","0.0005","3.5409","","3.5409","","90","","90","","90","","44.397","0.003","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102300","5.4041","0.0003","5.4041","","19.9364","0.0015","90","","90","","120","","504.22","0.05","298","","","","3290000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O24 P6 Pb9 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102301","2.8945","0.0007","2.8945","","2.8293","0.0011","90","","90","","120","","20.528","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102302","3.5355","0.0008","3.5355","","3.5355","","90","","90","","90","","44.19","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102303","6.0079","0.0015","5.192","0.0013","8.407","0.002","90","","108.254","0.004","90","","249.04","0.11","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 N2 -","- C4 H10 N2 -","- C8 H20 N4 -","2","0.5","AV5005","Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon","Structures of piperazine, piperidine and morpholine","Acta Crystallographica Section B","2004","60","2","219","227","10.1107/S0108768104003672","","","0.71073","MoKα","","0.0433","0.0359","","0.0867","0.0853","0.0867","","","","","","0.9357","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2102304","5.2311","0.0005","8.2292","0.0007","11.137","0.001","90","","90","","90","","479.42","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O -","- C4 H9 N O -","- C16 H36 N4 O4 -","4","1","AV5005","Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon","Structures of piperazine, piperidine and morpholine","Acta Crystallographica Section B","2004","60","2","219","227","10.1107/S0108768104003672","","","0.71073","MoKα","","0.0486","0.0441","","0.1057","0.1016","0.1057","","","","","","1.1148","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2102305","8.6989","0.0007","5.2642","0.0004","12.0097","0.001","90","","96.8","0.001","90","","546.09","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N -","- C5 H11 N -","- C20 H44 N4 -","4","1","AV5005","Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon","Structures of piperazine, piperidine and morpholine","Acta Crystallographica Section B","2004","60","2","219","227","10.1107/S0108768104003672","","","0.71073","MoKα","","0.0465","0.0415","","0.1195","0.1171","0.1195","","","","","","1.0187","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102306","9.06","0.001","5.447","0.001","21.56","0.002","90","","95.31","0.01","90","","1059.4","0.2","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Na2 O5 S2 -","- Na2 O5 S2 -","- Na16 O40 S16 -","8","2","BK0141","Carter, Kay L.; Siddiquee, Tasneem A.; Murphy, Kristen L.; Bennett, Dennis W.","The surprisingly elusive crystal structure of sodium metabisulfite","Acta Crystallographica Section B","2004","60","2","155","162","10.1107/S0108768104003325","","","0.71073","MoKα","","","0.0405","","","","0.1148","","","","","","1.147","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102307","6.073","0.001","5.47","0.001","8.318","0.001","90","","103.16","0.01","90","","269.06","0.07","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Na2 O5 S2 -","- Na2 O5.075 S2 -","- Na4 O10.15 S4 -","2","1","BK0141","Carter, Kay L.; Siddiquee, Tasneem A.; Murphy, Kristen L.; Bennett, Dennis W.","The surprisingly elusive crystal structure of sodium metabisulfite","Acta Crystallographica Section B","2004","60","2","155","162","10.1107/S0108768104003325","","","0.71073","MoKα","","","0.04","","","","0.1096","","","","","","1.067","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102308","31.536","","6.496","","17.59","","90","","113.92","","90","","3293.96","","","","","","","","","","","","","3","C 1 2/c 1","","15","","","","- C19 H21 N5 -","- C19 N5 -","- C152 N40 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102309","9.692","","67.57","","17.028","","90","","90","","90","","11151.4","","","","","","","","","","","","","4","F d d 2","","43","","","","- C34 H32 O2 Sn -","- C34 H32 O2 Sn -","- C544 H512 O32 Sn16 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102310","22.233","","9.566","","16.017","","90","","123.78","","90","","2831.42","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd N4 O8 S2 -","- C28 H24 Cd N4 O8 S2 -","- C112 H96 Cd4 N16 O32 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102311","25.252","","9.394","","15.356","","90","","120.21","","90","","3147.98","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C37 H34 N4 Ni O4 -","- C36 H30 N4 Ni O4 -","- C144 H120 N16 Ni4 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102312","6.388","","15.594","","7.874","","90","","109.15","","90","","740.96","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102313","12.878","","12.878","","10.938","","90","","90","","120","","1570.96","","","","","","","","","","","","","5","P 3 1 c","","159","","","","- C33 H27 N9 O4 Re2 -","- C33 H27 N9 O4 Re2 -","- C66 H54 N18 O8 Re4 -","2","0.333333","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102314","7.51","","17.295","","13.685","","90","","94.6","","90","","1771.76","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 S6 Zn -","- C12 H14 N2 S6 Zn -","- C48 H56 N8 S24 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102315","9.278","","12.75","","19.5881","","90","","103.35","","90","","2254.55","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B2 Cu F8 N6 -","- C20 H18 B2 Cu F8 N6 -","- C80 H72 B8 Cu4 F32 N24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102316","5.374","","8.396","","61.99","","90","","90.06","","90","","2796.99","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H54 N2 O2 -","- C27 H54 N2 O2 -","- C108 H216 N8 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102317","34.77","","11.19","","11.544","","90","","102.89","","90","","4378.31","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Mo2 N2 O15 -","- C12 H28 Mo2 N2 O15 -","- C96 H224 Mo16 N16 O120 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102318","21.867","","8.648","","15.033","","90","","119.75","","90","","2468.14","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H42 Cl2 O P2 Ru -","- C19 H42 Cl2 O P2 Ru -","- C76 H168 Cl8 O4 P8 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102319","13.9","","10.83","","18.39","","90","","94.08","","90","","2761.36","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C18 H48 Li3 Lu O6 -","- C18 Li3 Lu O6 -","- C72 Li12 Lu4 O24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102320","14.544","","6.32","","18.542","","90","","121.32","","90","","1455.98","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C14 H14 F6 N2 P -","- C14 F6 N2 P -","- C56 F24 N8 P4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102321","21.656","","8.41","","21.078","","90","","128.27","","90","","3013.9","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C22 H49 I2 N4 O5.5 -","- C22 I2 N4 O7 -","- C88 I8 N16 O28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102322","30.134","","9.806","","17.34","","90","","114.39","","90","","4666.59","","","","","","","","","","","","","3","C 1 2/c 1","","15","","","","- C24 H30 Si3 -","- C24 Si3 -","- C192 Si24 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102323","27.645","","8.03","","10.167","","90","","99.42","","90","","2226.53","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 -","- C24 H48 -","- C96 H192 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102324","13.99","","11.623","","11.96","","90","","114.35","","90","","1771.77","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C18 H17 Co O8 -","- C18 H18 Co O8 -","- C72 H72 Co4 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102325","29.472","","10.781","","12.12","","90","","98.95","","90","","3804.09","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H25 Br N2 O2 S Si2 -","- C12 H25 Br N2 O2 S Si2 -","- C96 H200 Br8 N16 O16 S8 Si16 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102326","25.498","","5.438","","15.136","","90","","121.18","","90","","1795.56","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl2 N4 O Pd -","- C14 H22 Cl2 N4 O Pd -","- C56 H88 Cl8 N16 O4 Pd4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102327","14.39","","11.418","","22.908","","90","","95.08","","90","","3749.11","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C32 H28 N10 O18 Zn -","- C32 N10 O18 Zn -","- C128 N40 O72 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102328","15.02","","9.9514","","19.723","","90","","112.18","","90","","2729.85","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C22 H20 Cu2 N6 S6 -","- C22 Cu2 N6 S6 -","- C88 Cu8 N24 S24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102329","23.144","","6.4466","","7.1648","","90","","91.16","","90","","1068.77","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C12 H8 Mn O5 -","- C12 H6 Mn O5 -","- C48 H24 Mn4 O20 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102330","23.611","","6.4346","","6.9529","","90","","91.38","","90","","1056.03","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C12 H8 Cd O5 -","- C12 H6 Cd O5 -","- C48 H24 Cd4 O20 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102331","11.482","","10.035","","19.669","","90","","91.13","","90","","2265.86","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cr O4 -","- C14 H12 Cr O4 -","- C112 H96 Cr8 O32 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102332","24.724","","7.81","","17.457","","90","","123.88","","90","","2798.5","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 N Ni S4 -","- C26 H40 N Ni S4 -","- C104 H160 N4 Ni4 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102333","14.209","","19.533","","12.085","","90","","119.04","","90","","2932.45","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Fe N7 O S3 -","- C26 H22 Fe N7 O S3 -","- C104 H88 Fe4 N28 O4 S12 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102334","27.107","","8.282","","14.332","","90","","114.88","","90","","2918.92","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 P -","- C17 H15 N2 P -","- C136 H120 N16 P8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102335","20.333","","11.641","","14.344","","90","","132.77","","90","","2492.35","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C28 H28 B2 Cl2 Zr -","- C28 B2 Cl2 Zr -","- C112 B8 Cl8 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102336","12.812","","19.261","","22.277","","90","","102.56","","90","","5365.78","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C54 H86 B Cl P4 Ru -","- C52 H84 B P4 Ru -","- C208 H336 B4 P16 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102337","8.882","","24.565","","6.387","","90","","90","","90","","1393.56","","","","","","","","","","","","","4","I m a 2","","46","","","","- C9 H7 I3 S2 -","- C9 I3 S2 -","- C36 I12 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102338","18.093","","10.657","","17.531","","90","","95.85","","90","","3362.67","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cd Cl2 N8 O8 -","- C30 H32 Cd Cl2 N8 O8 -","- C120 H128 Cd4 Cl8 N32 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102339","15.605","","13.473","","15.962","","90","","117.12","","90","","2986.98","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au Cl O6 P2 -","- C30 H32 Au Cl O6 P2 -","- C120 H128 Au4 Cl4 O24 P8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102340","33.205","","34.327","","8.442","","90","","90","","90","","9622.43","","","","","","","","","","","","","4","F d d 2","","43","","","","- C28 H32 N2 O3 -","- C28 H31 N2 O3 -","- C448 H496 N32 O48 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102341","16.705","","16.883","","10.667","","90","","107.01","","90","","2876.81","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Co N2 O4 -","- C32 H30 Co N2 O4 -","- C128 H120 Co4 N8 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102342","7.4127","","34.03","","6.1829","","90","","90","","90","","1559.66","","","","","","","","","","","","","3","A b a 2","","41","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102343","9.761","","14.521","","10.2151","","90","","109.04","","90","","1368.67","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N6 O2 -","- C12 H16 N6 O2 -","- C48 H64 N24 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102344","21.324","","11.456","","14.495","","90","","97.37","","90","","3511.7","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 N7 O16 Pr -","- C26 H34 N7 O16 Pr -","- C104 H136 N28 O64 Pr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102345","12.309","","17.153","","19.496","","90","","103.45","","90","","4003.42","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 O2 Si3 Sm -","- C34 H62 O2 Si3 Sm -","- C136 H248 O8 Si12 Sm4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102346","24.079","","9.973","","14.828","","90","","120.57","","90","","3065.87","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 O4 Zn -","- C32 H50 O4 Zn -","- C128 H200 O16 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102347","17.063","","6.836","","16.492","","90","","122.49","","90","","1622.59","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cl2 Zr -","- C16 H22 Cl2 Zr -","- C64 H88 Cl8 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102348","28.639","","12.548","","12.355","","90","","90","","90","","4439.92","","","","","","","","","","","","","6","I m a 2","","46","","","","- C57 H38 Cl2 N6 O2 Zn -","- C57 H38 Cl2 N6 O2 Zn -","- C228 H152 Cl8 N24 O8 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2102349","18.274","","12.012","","16.477","","90","","93.88","","90","","3608.53","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C28 H34 N10 O6 S4 Sn -","- C28 H34 N10 O12 S4 Sn -","- C112 H136 N40 O48 S16 Sn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102350","23.981","","16.733","","15.42","","90","","90","","90","","6187.65","","","","","","","","","","","","","6","F d d 2","","43","","","","- C26 H36 Cl2 P2 Ru S2 -","- C26 H30 Cl2 P2 Ru S2 -","- C208 H240 Cl16 P16 Ru8 S16 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102351","10.712","","29.834","","12.108","","90","","112.76","","90","","3568.19","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 N2 O4 Rh -","- C38 H48 N2 O4 Rh -","- C152 H192 N8 O16 Rh4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102352","22.147","","15.092","","17.352","","90","","115.11","","90","","5251.67","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C54 H45 F20 Ga Sn2 -","- C54 F20 Ga Sn2 -","- C216 F80 Ga4 Sn8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102353","13.646","","24.618","","17.083","","90","","95.72","","90","","5710.24","","","","","","","","","","","","","9","C 1 2/c 1","","15","","","","- C49.5 H43 B Cl3 F4 N3 Os P4 S4 -","- C50 H40 B Cl4 N3 Os P4 S4 -","- C200 H160 B4 Cl16 N12 Os4 P16 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102354","19.605","","11.84","","18.611","","90","","96.58","","90","","4291.59","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 N2 P4 Si2 Sn -","- C38 H52 N2 P4 Si2 Sn -","- C152 H208 N8 P16 Si8 Sn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102355","26.982","","5.6806","","7.439","","90","","105.54","","90","","1098.52","","","","","","","","","","","","","3","C 1 2/c 1","","15","","","","- C14 H11 N3 -","- C15 N2 -","- C60 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102356","22.694","","31.366","","8.4986","","90","","90","","90","","6049.47","","","","","","","","","","","","","5","F d d 2","","43","","","","- C32 H30 As2 Mg O6 -","- C32 H30 As2 Mg O6 -","- C256 H240 As16 Mg8 O48 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102357","22.521","","14.974","","10.656","","90","","107.76","","90","","3422.26","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H56 Al3 Cl O4 -","- C26 H56 Al3 Cl O4 -","- C104 H224 Al12 Cl4 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","208362","2020-10-21","18:00:00",""
"2102358","11.913","","15.882","","8.24","","90","","124.06","","90","","1291.58","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Ni O2 S7 -","- C7 H4 Ni O2 S7 -","- C28 H16 Ni4 O8 S28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102359","44.188","","9.8658","","19.6725","","90","","99.03","","90","","8469.93","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C43 H46.5 Mo N1.5 O S4 -","- C42 H45 Mo N O S4 -","- C336 H360 Mo8 N8 O8 S32 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102360","14.283","","13.828","","14.345","","90","","102.84","","90","","2762.37","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 Ni O4 S2 -","- C30 H28 N2 Ni O4 S2 -","- C120 H112 N8 Ni4 O16 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102361","14.5203","","19.937","","16.385","","90","","108.83","","90","","4489.45","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 D6 S2 Si4 -","- C42 H64 D6 S2 Si4 -","- C168 H256 D24 S8 Si16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102362","14.579","","20.084","","16.301","","90","","108.12","","90","","4536.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 D6 Se2 Si4 -","- C42 H64 D6 Se2 Si4 -","- C168 H256 D24 Se8 Si16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102363","20.115","","11.652","","42.481","","90","","92.08","","90","","9950.14","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 O2 P2 Pd -","- C60 H60 O2 P2 Pd -","- C480 H480 O16 P16 Pd8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102364","19.589","","18.167","","24.55","","90","","109.07","","90","","8257.22","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C93 H98 N8 O11 -","- C87 N8 O9 -","- C348 N32 O36 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102365","35.88","","7.201","","6.907","","90","","91.19","","90","","1784.19","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C16 H15 Cs O4 S2 -","- C16 H10 Cs O4 S2 -","- C64 H40 Cs4 O16 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102366","18.543","","4.561","","15.342","","90","","129.14","","90","","1006.38","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H16 N2 O8 P2 -","- C3 H16 N2 O8 P2 -","- C12 H64 N8 O32 P8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102367","13.83","","11.916","","14.945","","90","","106.91","","90","","2356.42","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C22 H14 Cu N4 O6 S2 -","- C22 Cu N4 O6 S2 -","- C88 Cu4 N16 O24 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102368","17.326","","9.26","","7.959","","90","","112.3","","90","","1181.43","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C3 H12 Li2 N6 O7 S -","- C3 Li2 N6 O7 S -","- C12 Li8 N24 O28 S4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102369","38.271","","9.973","","36.093","","90","","123.59","","90","","11475.5","","","","","","","","","","","","","8","C 1 2/c 1","","15","","","","- C106 H64 Cl4 N2 O30 P4 Pd2 Ru12 -","- C106 Cl4 N2 O30 P4 Pd2 Ru12 -","- C424 Cl16 N8 O120 P16 Pd8 Ru48 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102370","31.343","","29.969","","23.979","","90","","90","","90","","22523.9","","","","","","","","","","","","","7","F d d 2","","43","","","","- C106 H60 N2 O32 P4 Pd4 Ru12 -","- C106 H60 N2 O32 P4 Pd4 Ru12 -","- C848 H480 N16 O256 P32 Pd32 Ru96 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","189126","2020-10-21","18:00:00",""
"2102371","8.286","","29.498","","12.225","","90","","90","","90","","2988.04","","","","","","","","","","","","","5","F d d 2","","43","","","","- C10 H14 Mg N6 O7 -","- C10 H14 Mg N6 O7 -","- C80 H112 Mg8 N48 O56 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102372","22.787","","6.367","","9.906","","90","","110.58","","90","","1345.49","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Ca N6 O5 -","- C10 H10 Ca N6 O5 -","- C40 H40 Ca4 N24 O20 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102373","16.65","","9.229","","17.65","","90","","114.98","","90","","2458.44","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C4 H29 Cu2 O23 P4 -","- C4 H6 Cu2 O24 P4 -","- C16 H24 Cu8 O96 P16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102374","15.538","","23.07","","14.521","","90","","120.9","","90","","4466.42","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H62 N4 Rh2 -","- C51 H62 N4 Rh2 -","- C204 H248 N16 Rh8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102375","8.7315","","15.993","","18.719","","90","","96.47","","90","","2597.33","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N6 Zr -","- C28 H32 N6 Zr -","- C112 H128 N24 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102376","27.5597","","18.4326","","20.1604","","90","","123.95","","90","","8495.52","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H74 Cl2 N20 O13 Zn3 -","- C80 H74 Cl2 N20 O13 Zn3 -","- C320 H296 Cl8 N80 O52 Zn12 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102377","16.212","","14.4198","","25.146","","90","","92.01","","90","","5874.86","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 P4 Pb S6 -","- C64 H54 P4 Pb S6 -","- C256 H216 P16 Pb4 S24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102378","34.102","","8.431","","14.375","","90","","90.48","","90","","4132.87","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C24 H23 Cr Fe O5 -","- C24 H21 Cr Fe O5 -","- C192 H168 Cr8 Fe8 O40 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102379","17.9075","","16.731","","7.7049","","90","","93.71","","90","","2303.63","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu2 N6 O7 -","- C22 H20 Cu2 N6 O7 -","- C88 H80 Cu8 N24 O28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102380","10.108","","13.722","","23.804","","90","","98.01","","90","","3269.45","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Rh2 -","- C38 H46 Rh2 -","- C152 H184 Rh8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102381","15.561","","19.636","","13.776","","90","","95.71","","90","","4188.45","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C48 H52 Cl2 N2 O2 Zr -","- C48 H46 Cl2 N2 O2 Zr -","- C192 H184 Cl8 N8 O8 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102382","17.388","","12.174","","14.152","","90","","114.88","","90","","2717.69","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Cl2 N6 Ni O2 -","- C24 H30 Cl2 N6 Ni O2 -","- C96 H120 Cl8 N24 Ni4 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102383","16.1695","","11.8116","","7.0266","","90","","99.53","","90","","1323.47","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C10 H13 Cu N3 O6 S -","- C10 H9 Cu N3 O6 S -","- C40 H36 Cu4 N12 O24 S4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102384","19.287","","16.831","","18.189","","90","","118.21","","90","","5203.17","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H34 F10 P2 Pt -","- C54 H34 F10 P2 Pt -","- C216 H136 F40 P8 Pt4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102385","16.354","","16.035","","19.793","","90","","90","","90","","5190.44","","","","","","","","","","","","","7","F d d 2","","43","","","","- C6 H14 Ge3 In N2 O S8 -","- In4 S8 -","- In32 S64 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102386","10.903","","13.228","","18.035","","90","","95.26","","90","","2590.14","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C20 H27 Cd N11 O6 -","- C18 H24 Cd N10 O6 -","- C72 H96 Cd4 N40 O24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102387","42.084","","20.589","","9.925","","90","","90","","90","","8599.69","","","","","","","","","","","","","5","F d d 2","","43","","","","- C26 H18 Fe N2 S2 -","- C26 H18 Fe N2 S2 -","- C416 H288 Fe16 N32 S32 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102388","20.359","","7.717","","20.62","","90","","117.02","","90","","2886.01","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Fe2 O4 Si2 -","- C26 H36 Fe2 O4 Si2 -","- C104 H144 Fe8 O16 Si8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102389","21.72","","8.633","","15.515","","90","","119.45","","90","","2533.29","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C19 H43 Cl2 Ir O P2 -","- C19 H42 Cl2 Ir O P2 -","- C76 H168 Cl8 Ir4 O4 P8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102390","11.4","","20.186","","4.569","","90","","90","","90","","1051.42","","","","","","","","","","","","","4","F d d 2","","43","","","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C24 H64 N16 O8 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102391","10.668","","15.026","","13.817","","90","","96.74","","90","","2199.52","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C12 H30 N9 Nd O9 -","- C12 N9 Nd O9 -","- C48 N36 Nd4 O36 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102392","16.674","","29.469","","9.552","","90","","90","","90","","4693.53","","","","","","","","","","","","","5","F d d 2","","43","","","","- C16 H32 Cl3 Gd O4 -","- C16 H32 Cl3 Gd O4 -","- C128 H256 Cl24 Gd8 O32 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102393","26.633","","10.204","","15.907","","90","","110.33","","90","","4053.65","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C16 H52 Co4 N12 O14 S8 -","- C16 Co4 N12 O14 S8 -","- C64 Co16 N48 O56 S32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102394","15.645","","13.51","","18.56","","90","","103.59","","90","","3813.08","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 O12 -","- C44 H44 O12 -","- C176 H176 O48 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","208362","2020-10-21","18:00:00",""
"2102395","17.725","","4.402","","25.88","","90","","94.21","","90","","2013.85","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Br4 F2 N2 Sn2 -","- C12 H16 Br4 F2 N2 Sn2 -","- C48 H64 Br16 F8 N8 Sn8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102396","20.558","","7.254","","13.79","","90","","100.47","","90","","2022.23","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H22 I4 N2 Pt2 -","- C8 H22 I4 N2 Pt2 -","- C32 H88 I16 N8 Pt8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102397","23.0821","","9.9109","","17.6074","","90","","119","","90","","3522.92","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 Ir2 N2 -","- C42 H44 Ir2 N2 -","- C168 H176 Ir8 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102398","32.252","","8.561","","13.72","","90","","90","","90","","3788.22","","","","","","","","","","","","","4","F d d 2","","43","","","","- C16 H26 N6 Ti -","- C16 H26 N6 Ti -","- C128 H208 N48 Ti8 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102399","12.856","","23.531","","9.979","","90","","134.55","","90","","2151.31","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C14 H36 Cu N6 O4 -","- C14 H36 Cu N7 O7 -","- C56 H144 Cu4 N28 O28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102400","15.879","","45.775","","6.078","","90","","90","","90","","4417.86","","","","","","","","","","","","","5","F d d 2","","43","","","","- C24 H22 Cu N2 O5 -","- C24 Cu N2 O5 -","- C192 Cu8 N16 O40 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102401","13.098","","52.076","","9.772","","90","","90","","90","","6665.4","","","","","","","","","","","","","4","F d d 2","","43","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C304 H240 N16 O80 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102402","17.852","","7.674","","12.763","","90","","129.29","","90","","1353.24","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 F2 Ge N2 O2 -","- C12 H20 F2 Ge N2 O2 -","- C48 H80 F8 Ge4 N8 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102403","9.199","","12.632","","12.532","","90","","93.7","","90","","1453.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Ge N6 O4 -","- C10 H14 Ge N6 O4 -","- C40 H56 Ge4 N24 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102404","29.014","","24.945","","11.7128","","90","","90","","90","","8477.19","","","","","","","","","","","","","5","F d d 2","","43","","","","- C11 H32 B10 Br P -","- C11 B10 Br P -","- C176 B160 Br16 P16 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102405","17.843","","19.036","","16.685","","90","","119.17","","90","","4948.48","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C52 H40 Cd F8 N6 O10 -","- C52 Cd F8 N6 O10 -","- C208 Cd4 F32 N24 O40 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102406","13.5632","","9.4138","","19.424","","90","","92","","90","","2478.57","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C16 H16 F12 Hg N8 P2 -","- C16 H10 F12 Hg N8 P2 -","- C64 H40 F48 Hg4 N32 P8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102407","6.381","","14.153","","17.73","","90","","81.8","","90","","1584.83","","","","","","","","","","","","","3","C 1 2/c 1","","15","","","","- C18 H24 N2 -","- C18 N2 -","- C72 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102408","18.741","","10.446","","19.27","","90","","114.64","","90","","3428.96","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Li2 O4 Si4 -","- C24 H56 Li2 O4 Si4 -","- C96 H224 Li8 O16 Si16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102409","15.657","","16.468","","14.069","","90","","101.64","","90","","3552.94","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C36 H34 Cl2 N8 Ru -","- C36 H32 Cl2 N8 Ru -","- C144 H128 Cl8 N32 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102410","15.928","","4.983","","16.17","","90","","91.33","","90","","1283.06","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 O2 -","- C20 H10 O2 -","- C80 H40 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102411","20.49","","12.39","","21.171","","90","","91.54","","90","","5372.76","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C40 H51 Au Cl12 O17 -","- C40 H40 Au Cl12 O12 -","- C160 H160 Au4 Cl48 O48 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102412","15.286","","10.143","","10.49","","90","","93.77","","90","","1622.91","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C80 H48 Cu4 N8 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102413","17.51","","10.394","","9.373","","90","","95.88","","90","","1696.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Mn N2 O4 -","- C20 H12 Mn N2 O4 -","- C80 H48 Mn4 N8 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102414","30.292","","11.845","","17.881","","90","","102.98","","90","","6251.92","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C67 H84 Al4 N4 O4 -","- C52 H28 Al4 N4 O4 -","- C208 H112 Al16 N16 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102415","19.696","","10.603","","21.82","","90","","116.07","","90","","4093.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Cl2 Mg O24 -","- C28 H52 Cl2 Mg O24 -","- C112 H208 Cl8 Mg4 O96 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102416","13.098","","14.61","","16.146","","90","","92.97","","90","","3085.58","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 Br2 P2 Pd2 -","- C24 H54 Br2 P2 Pd2 -","- C96 H216 Br8 P8 Pd8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102417","7.763","","13.893","","17.611","","90","","93.75","","90","","1895.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cl4 S2 Sn -","- C15 H16 Cl4 S2 Sn -","- C60 H64 Cl16 S8 Sn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102418","22.2292","","7.4107","","13.0246","","90","","99.84","","90","","2114.03","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Fe N2 S4 -","- C20 H24 Fe N2 S4 -","- C80 H96 Fe4 N8 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102419","25.124","","12.855","","12.36","","90","","95.07","","90","","3976.28","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N9 -","- C18 H20 N9 -","- C144 H160 N72 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102420","16.809","","8.889","","21.232","","90","","101.47","","90","","3109.03","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 N4 O13 Sr -","- C24 H48 N4 O13 Sr -","- C96 H192 N16 O52 Sr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102421","12.538","","11.095","","14.864","","90","","104.07","","90","","2005.69","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Au B F4 N2 -","- C20 H22 Au B F4 N2 -","- C80 H88 Au4 B4 F16 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102422","19.865","","6.93","","33.57","","90","","98.47","","90","","4570.99","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H33 Cl2 N Ru -","- C22 H33 Cl2 N Ru -","- C176 H264 Cl16 N8 Ru8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102423","9.597","","9.597","","17.029","","90","","90","","120","","1358.29","","","","","","","","","","","","","6","P -3 1 c","","163","","","","- C18 H42 Cl2 Mn N8 O8 -","- C18 H42 Cl2 Mn N8 -","- C36 H84 Cl4 Mn2 N16 -","2","0.166667","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102424","28.358","","15.105","","15.822","","90","","102.52","","90","","6616.15","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C32.5 H30.75 Cl2 Cu N4.25 O8 -","- C32 H30 Cl2 Cu N4 O8 -","- C256 H240 Cl16 Cu8 N32 O64 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102425","20.6686","","17.449","","17.0768","","90","","106.16","","90","","5915.35","","","","","","","","","","","","","7","C 1 2/c 1","","15","","","","- C48 H61 F12 Ir2 N O13 S7 -","- C52 H68 F12 Ir2 N O14 S7 -","- C208 H272 F48 Ir8 N4 O56 S28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102426","18.702","","36.317","","8.502","","90","","90","","90","","5774.56","","","","","","","","","","","","","5","F d d 2","","43","","","","- C22 H34 N8 Ni O10 -","- C22 H34 N8 Ni O10 -","- C176 H272 N64 Ni8 O80 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102427","17.445","","8.1602","","20.762","","90","","94.28","","90","","2947.33","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C26 H48 Cl2 N2 Si2 Ti -","- C26 Cl2 N2 Si2 Ti -","- C104 Cl8 N8 Si8 Ti4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102428","14.755","","11.169","","11.723","","90","","93.01","","90","","1929.27","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Cl2 N4 Sn -","- C14 H26 Cl2 N4 Sn -","- C56 H104 Cl8 N16 Sn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102429","9.303","","67.316","","15.607","","90","","90","","90","","9773.74","","","","","","","","","","","","","5","F d d 2","","43","","","","- C28 H26 O3 S Si -","- C28 H26 O3 S Si -","- C448 H416 O48 S16 Si16 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102430","25.345","","7.201","","11.137","","90","","108.02","","90","","1932.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O10 Zn -","- C18 H18 O10 Zn -","- C72 H72 O40 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102431","9.807","","15.232","","4.54","","90","","90","","90","","678.186","","","","","","","","","","","","","3","A m a 2","","40","","","","- C7 H6 N4 -","- C7 H7 N4 -","- C28 H28 N16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102432","15.95","","19.598","","18.534","","90","","90.61","","90","","5793.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C63 H72 O12 -","- C63 H72 O12 -","- C252 H288 O48 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102433","13.309","","9.591","","16.449","","90","","94.83","","90","","2092.2","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C22 H32 Cl2 Zr -","- C22 Cl2 Zr -","- C88 Cl8 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102434","18.829","","12.206","","17.233","","90","","97.28","","90","","3928.68","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 Cu N10 O6 S4 -","- C34 H36 Cu N10 O6 S4 -","- C136 H144 Cu4 N40 O24 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102435","17.908","","3.717","","14.87","","90","","95.3","","90","","985.575","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl2 Fe N2 S2 -","- C6 H6 Cl2 Fe N2 S2 -","- C24 H24 Cl8 Fe4 N8 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102436","20.645","","6.414","","12.186","","90","","121.29","","90","","1378.93","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N4 O4 -","- C12 H18 N4 O4 -","- C48 H72 N16 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102437","17.598","","10.0198","","14.9081","","90","","99.12","","90","","2595.49","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cl2 Mo N2 O2 -","- C24 H36 Cl2 Mo N2 O2 -","- C96 H144 Cl8 Mo4 N8 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102438","22.958","","19.861","","8.724","","90","","90","","90","","3977.87","","","","","","","","","","","","","4","F d d 2","","43","","","","- C20 H36 O2 S -","- C20 O4 S2 -","- C160 O32 S16 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102439","32.668","","23.772","","13.688","","90","","90","","90","","10629.9","","","","","","","","","","","","","7","F d d 2","","43","","","","- C38 H60 Ag2 F12 N12 O6 P2 -","- C38 H52 Ag2 F12 N12 O6 P2 -","- C304 H416 Ag16 F96 N96 O48 P16 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102440","22.178","","17.612","","19.575","","90","","117.66","","90","","6772.18","","","","","","","","","","","","","7","C 1 2/c 1","","15","","","","- C60 H70 N10 O13 P2 Pd2 S2 -","- C60 H12 N10 O19 P2 Pd2 S2 -","- C240 H48 N40 O76 P8 Pd8 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102441","15.587","","8.856","","21.78","","90","","93.85","","90","","2999.69","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N2 -","- C36 H40 N2 -","- C144 H160 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102442","13.316","","13.5443","","16.085","","90","","108.47","","90","","2751.59","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Cl2 Co N12 O8 -","- C18 H30 Cl2 Co N12 O8 -","- C72 H120 Cl8 Co4 N48 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102443","18.536","","15.225","","18.433","","90","","91.35","","90","","5200.54","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N4 Ni Si2 -","- C24 H30 N4 Ni Si2 -","- C192 H240 N32 Ni8 Si16 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102444","18.928","","8.3716","","20.174","","90","","104","","90","","3101.77","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C30 H42 N4 Ni Si2 -","- C30 H38 N4 Ni Si2 -","- C120 H152 N16 Ni4 Si8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102445","38.593","","12.709","","14.175","","90","","95.51","","90","","6920.41","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Cl3 Fe N12 O14 -","- C22 H30 Cl3 Fe N12 O14 -","- C176 H240 Cl24 Fe8 N96 O112 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102446","15.3413","","10.1378","","18.8657","","90","","113.11","","90","","2698.67","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cu N6 O8 S4 -","- C20 H22 Cu N6 O8 S4 -","- C80 H88 Cu4 N24 O32 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102447","21.777","","9.763","","21.705","","90","","115.23","","90","","4174.45","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Co F12 N4 O8 -","- C36 H36 Co F12 N4 O8 -","- C144 H144 Co4 F48 N16 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102448","16.959","","10.6103","","10.4614","","90","","107.68","","90","","1793.51","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Mn O10 -","- C16 H18 Mn O10 -","- C64 H72 Mn4 O40 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102449","45.646","","10.97","","11.982","","90","","97.22","","90","","5952.25","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C29 H46 O4 S -","- C29 H48 O4 S -","- C232 H384 O32 S8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102450","19.7343","","11.0721","","14.668","","90","","91.98","","90","","3203.05","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Cl8 N4 Pd -","- C24 H34 Cl8 N4 Pd -","- C96 H136 Cl32 N16 Pd4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102451","24.894","","11.134","","15.615","","90","","111.74","","90","","4020.17","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 B F4 N O2 -","- C26 H16 B F4 N O2 -","- C208 H128 B8 F32 N8 O16 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102452","24.6435","","7.009","","14.649","","90","","115.15","","90","","2290.39","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N4 O2 P2 S4 -","- C20 H22 N4 O2 P2 S4 -","- C80 H88 N16 O8 P8 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102453","19.07","","17.916","","23.934","","90","","108.96","","90","","7733.59","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C96 H90 F2 N8 O8 -","- C96 H46 F2 N8 O8 -","- C384 H184 F8 N32 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102454","16.454","","15.1066","","22.046","","90","","107.98","","90","","5212.23","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C29 H24 Cl2 N3 O P -","- C29 H22 Cl4 N3 O P -","- C232 H176 Cl32 N24 O8 P8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102455","18.834","","16.257","","20.366","","90","","112.35","","90","","5767.31","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Au2 Co2 O6 P4 -","- C56 H44 Au2 Co2 O6 P4 -","- C224 H176 Au8 Co8 O24 P16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102456","12.426","","15.357","","12.823","","90","","93.18","","90","","2443.2","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C24 H46 N4 Ru -","- C24 H42 N4 Ru -","- C96 H168 N16 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102457","22.964","","13.206","","16.105","","90","","108.43","","90","","4633.54","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C16 H48 N4 S14 Sn6 -","- S14 Sn6 -","- S56 Sn24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102458","15.86","","9.098","","12.228","","90","","101.05","","90","","1731.72","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H10 O6 -","- C26 H10 O6 -","- C104 H40 O24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102459","23.105","","9.615","","24.103","","90","","118.88","","90","","4688.66","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 F12 N2 O2 P4 Ru -","- C44 H40 F12 N2 O2 P4 Ru -","- C176 H160 F48 N8 O8 P16 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102460","20.194","","12.319","","18.204","","90","","124.92","","90","","3713.24","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C30 H36 Cl2 N8 Ni2 O13 -","- C30 H28 Cl2 N8 Ni2 O13 -","- C120 H112 Cl8 N32 Ni8 O52 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102461","21.305","","11.47","","14.436","","90","","97.41","","90","","3498.24","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 N7 Nd O16 -","- C26 H34 N7 Nd O16 -","- C104 H136 N28 Nd4 O64 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102462","16.698","","64.74","","9.592","","90","","90","","90","","10369.2","","","","","","","","","","","","","4","F d d 2","","43","","","","- C28 H36 Fe2 O3 -","- C28 H36 Fe2 O3 -","- C448 H576 Fe32 O48 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199553","2020-10-21","18:00:00",""
"2102463","42.155","","17.544","","8.67","","90","","90","","90","","6412.05","","","","","","","","","","","","","5","F d d 2","","43","","","","- C30 H50 B Li2 N5 -","- C30 H50 B Li2 N5 -","- C240 H400 B8 Li16 N40 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102464","8.517","","15.921","","9.624","","90","","115.59","","90","","1177","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 B2 Cr N2 -","- C6 H24 B2 Cr N2 -","- C24 H96 B8 Cr4 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102465","7.858","","29.601","","20.564","","90","","90","","90","","4783.28","","","","","","","","","","","","","5","F d d 2","","43","","","","- C28 H18 Cr2 Fe O6 -","- C28 H18 Cr2 Fe O6 -","- C224 H144 Cr16 Fe8 O48 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102466","15.848","","45.803","","7.023","","90","","90","","90","","5097.9","","","","","","","","","","","","","7","F d d 2","","43","","","","- C12 H26 F12 N8 O3 P2 Pt -","- C12 F12 N8 O3 P2 Pt -","- C96 F96 N64 O24 P16 Pt8 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102467","21.762","","9.685","","22.073","","90","","114.94","","90","","4218.4","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C36 H36 F12 Mn N4 O8 -","- C36 F12 Mn N4 O8 -","- C144 F48 Mn4 N16 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102468","22.079","","11.562","","21.302","","90","","112.25","","90","","5033.01","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C41 H37 F18 Gd N4 O10 -","- C41 F18 Gd N4 O10 -","- C164 F72 Gd4 N16 O40 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102469","20.932","","20.932","","17.688","","90","","90","","120","","6711.67","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C22 H57 Cl4 Cu3 N9 O19 -","- C22 Cl4 Cu3 N9 O10 -","- C132 Cl24 Cu18 N54 O60 -","6","0.333333","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","203908","2020-10-21","18:00:00",""
"2102470","13.442","","22.223","","20.912","","90","","94.38","","90","","6228.62","","","","","","","","","","","","","7","C 1 2/c 1","","15","","","","- C60 H42 Ag2 Cd2 N12 O4 S6 -","- C60 Ag2 Cd2 N12 O4 S6 -","- C240 Ag8 Cd8 N48 O16 S24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102471","20.462","","20.517","","12.867","","90","","90","","90","","5401.81","","","","","","","","","","","","","5","F d d 2","","43","","","","- C16 H41 Cl2 N5 Si4 -","- C16 H41 Cl2 N5 Si4 -","- C128 H328 Cl16 N40 Si32 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102472","9.2758","","10.736","","9.853","","90","","106.51","","90","","940.756","","","","","","","","","","","","","7","P 1 21 1","","4","","","","- C12 H19 I N2 O6 S Si -","- C12 H19 I N2 O6 S Si -","- C24 H38 I2 N4 O12 S2 Si2 -","2","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102473","8.5317","","9.7835","","11.7665","","112.46","","102.76","","96.79","","862.577","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 As2 Li2 O6 -","- C36 H40 As2 Li2 O6 -","- C36 H40 As2 Li2 O6 -","1","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2102474","27.506","","10.44","","19.595","","90","","121.49","","90","","4798.28","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H78 Na O6 Sb -","- C46 H78 Na O6 Sb -","- C184 H312 Na4 O24 Sb4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102475","13.033","","16.865","","21.579","","90","","94.19","","90","","4730.42","","","","","","","","","","","","","6","P 1 2/n 1","","13","","","","- C46 H38 Cd F8 N6 O6 -","- C46 Cd F8 N6 O6 -","- C184 Cd4 F32 N24 O24 -","4","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102476","15.583","","27.28","","13.401","","90","","90","","90","","5696.82","","","","","","","","","","","","","6","P n n n","","48","","","","- C64 H40 Cd F12 N6 O6 -","- C68 Cd2 F12 N8 O8 -","- C272 Cd8 F48 N32 O32 -","4","","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102477","7.5542","0.0006","11.3112","0.0009","13.4773","0.001","90","","95.92","0.006","90","","1145.45","0.15","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4(5)-nitro-5(4)-methoxy-1H-imidazole","","- C4 H5 N3 O3 -","- C4 H5 N3 O3 -","- C32 H40 N24 O24 -","8","1","BK5004","Kubicki, Maciej","Two tautomers in one crystal: 4(5)-nitro-5(4)-methoxyimidazole","Acta Crystallographica Section B","2004","60","2","191","196","10.1107/S0108768104003179","","","0.71073","MoKα","","0.0404","0.0311","","","0.076","0.0795","","","","","","1.103","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102478","7.5542","0.0006","11.3112","0.0009","13.4773","0.001","90","","95.92","0.006","90","","1145.45","0.15","90","1","90","1","","","","","","","","4","C 1 c 1","C -2yc","9","","4(5)-nitro-5(4)-methoxy-1H-imidazole","","- C4 H5 N3 O3 -","- C4 H5 N3 O3 -","- C32 H40 N24 O24 -","8","2","BK5004","Kubicki, Maciej","Two tautomers in one crystal: 4(5)-nitro-5(4)-methoxyimidazole","Acta Crystallographica Section B","2004","60","2","191","196","10.1107/S0108768104003179","","","0.71073","MoKα","","0.0386","0.0285","","","0.0701","0.0735","","","","","","1.06","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102479","15.0687","0.0001","17.6502","0.0002","29.4386","0.0003","90","","90","","90","","7829.65","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2003vt02vh02b","","","- C56 H122 N2 O51 -","- C56 H92 N2 O51 -","- C224 H368 N8 O204 -","4","1","BM5006","Llamas-Saiz, Antonio L.","Crystal structure of the supramolecular linear polymer formed by the self-assembly of mono-6-deoxy-6-adamantylamide-β-cyclodextrin","Acta Crystallographica Section B","2004","60","2","204","210","10.1107/S0108768104003775","","","1.5418","CuKα","","0.0887","0.085","","","0.244","0.25","","","","","","1.05","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102480","12.871","0.003","23.939","0.005","5.887","0.0012","90","","90","","90","","1813.9","0.7","305","2","305","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.1026","0.0446","","","0.1112","0.1331","","","","","","0.963","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102481","12.874","0.002","23.94","0.003","5.888","0.001","90","","90","","90","","1814.7","0.5","294","2","294","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.0396","0.0332","","","0.0776","0.0812","","","","","","1.045","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102482","12.882","0.001","23.533","0.002","5.7815","0.0008","90","","90","","90","","1752.7","0.3","145","2","145","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.0284","0.0269","","","0.0641","0.0651","","","","","","1.117","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102483","12.875","0.003","23.416","0.005","5.75","0.0012","90","","90","","90","","1733.5","0.7","90","0.2","90","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.0313","0.0298","","","0.0725","0.0738","","","","","","1.078","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102484","7.5284","0.0012","5.8848","0.0009","10.436","0.002","90","","90","","90","","462.35","0.14","175","","175","","","","","","","","","4","","","","","ammonium tetrafluoroberyllate","","- Be F4 H8 N2 -","","","4","","CK5001","Palatinus, Lukáš; Amami, Mongi; van Smaalen, Sander","Structure of incommensurate ammonium tetrafluoroberyllate studied by structure refinements and the maximum entropy method","Acta Crystallographica Section B","2004","60","2","127","137","10.1107/S0108768104000874","","","0.71","synchrotron","","0.0622","0.0341","","","0.0384","0.0399","","","","","","1.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2102485","9.951","0.001","12.201","0.001","11.844","0.001","100.4","0.01","102.9","0.01","102.9","0.01","1325.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","diphenyl [(3-phenylthioureido)phenylpropyl]phosphonate","","- C28 H27 N2 O3 P S -","- C28 H27 N2 O3 P S -","- C56 H54 N4 O6 P2 S2 -","2","1","DE5004","Chęcińska, Lilianna; Fábián, László; Kudzin, Zbigniew H.","Structural studies of (<i>N</i>-phenylthioureidoalkyl- and -aryl)phosphonates","Acta Crystallographica Section B","2004","60","2","211","218","10.1107/S0108768104002770","","","1.54178","CuKα","","0.0628","0.0411","","","0.1126","0.1186","","","","","","0.944","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102486","9.953","0.001","10.046","0.001","12.701","0.001","96.66","0.01","104.45","0.01","99.84","0.01","1194.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","diphenyl [1-(3-phenylthioureido)benzyl]phosphonate","","- C26 H23 N2 O3 P S -","- C26 H23 N2 O3 P S -","- C52 H46 N4 O6 P2 S2 -","2","1","DE5004","Chęcińska, Lilianna; Fábián, László; Kudzin, Zbigniew H.","Structural studies of (<i>N</i>-phenylthioureidoalkyl- and -aryl)phosphonates","Acta Crystallographica Section B","2004","60","2","211","218","10.1107/S0108768104002770","","","1.54178","CuKα","","0.0986","0.038","","","0.0819","0.0903","","","","","","0.999","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102487","10.688","0.003","9.888","0.002","22.961","0.002","90","","97.79","0.001","90","","2404.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diphenyl [2,2-dimethyl-1-(3-phenylthioureido)propyl]phosphonate","","- C24 H27 N2 O3 P S -","- C24 H27 N2 O3 P S -","- C96 H108 N8 O12 P4 S4 -","4","1","DE5004","Chęcińska, Lilianna; Fábián, László; Kudzin, Zbigniew H.","Structural studies of (<i>N</i>-phenylthioureidoalkyl- and -aryl)phosphonates","Acta Crystallographica Section B","2004","60","2","211","218","10.1107/S0108768104002770","","","1.54178","CuKα","","0.0605","0.0451","","","0.134","0.1372","","","","","","1.063","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102488","5.2951","0.0003","8.1213","0.0004","27.256","0.002","90","","90","","90","","1172.09","0.12","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Tryptophan Formic acid","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","LC5002","Scheins, Stephan; Dittrich, Birger; Messerschmidt, Marc; Luger, Peter; Paulmann, Carsten","Atomic volumes and charges in a system with a strong hydrogen bond: <small>L</small>-tryptophan formic acid","Acta Crystallographica Section B","2004","60","2","184","190","10.1107/S0108768104001739","","","0.54","Synchrotron","","","0.0223","","","","0.0234","","","","","","1.2389","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102489","10.56","0.004","10.56","0.004","11.952","0.011","90","","116.216","","90","","1195.7","1.3","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","Sulfuric acid octahydrate","","","- H18 O12 S -","- H18 O12 S -","- H72 O48 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102490","10.56","0.004","10.56","0.004","11.952","0.011","90","","116.216","","90","","1195.7","1.3","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","Sulfuric acid octahydrate","","","- H18 O12 S -","- H18 O12 S -","- H72 O48 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102491","6.8182","0.001","26.876","0.005","5.936","0.001","90","","121.42","","90","","928.2","0.3","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","","","- H15 O10.5 S -","- H15 O10.5 S -","- H60 O42 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102492","6.8182","0.001","26.876","0.005","5.936","0.001","90","","121.42","","90","","928.2","0.3","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","","","- H15 O10.5 S -","- H15 O10.5 S -","- H60 O42 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2102493","15.2124","0.0005","18.958","0.0004","23.3561","0.0007","86.713","0.002","85.727","0.002","81.563","0.002","6637","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol‒1,4-diazabicyclo[2.2.2]octane (4/1)","","- C78 H76 N2 O4 Si4 -","- C78 H76 N2 O4 Si4 -","- C312 H304 N8 O16 Si16 -","4","2","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.1916","0.0727","","","0.1693","0.2252","","","","","","0.955","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102494","8.6418","0.0002","14.1263","0.0003","16.3149","0.0004","64.5048","0.001","84.1339","0.001","79.7744","0.0013","1768.42","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol‒1,2-bis(4-pyridyl)ethene (4/1)","","- C84 H74 N2 O4 Si4 -","- C84 H74 N2 O4 Si4 -","- C84 H74 N2 O4 Si4 -","1","0.5","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.0626","0.0414","","","0.0985","0.1094","","","","","","1.021","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2102495","14.6528","0.001","8.1361","0.0004","16.7852","0.001","90","","117.868","0.004","90","","1769","0.19","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triphenylsilanol‒N,N'-dimethylpiperazine (2/1)","","- C42 H46 N2 O2 Si2 -","- C42 H46 N2 O2 Si2 -","- C84 H92 N4 O4 Si4 -","2","0.5","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.0813","0.0472","","","0.115","0.1326","","","","","","1.034","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2102496","8.7793","0.0004","14.3503","0.0007","16.8948","0.0006","76.612","0.002","88.287","0.002","83.816","0.002","2058.58","0.16","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol‒1,2-bis(4-pyridyl)ethane‒water (2/1/1)","","- C48 H46 N2 O3 Si2 -","- C48 H46 N2 O3 Si2 -","- C96 H92 N4 O6 Si4 -","2","1","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.1193","0.0586","","","0.1284","0.1552","","","","","","1.018","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102497","8.9058","0.0004","13.9098","0.0008","16.9083","0.0008","75.053","0.003","88.509","0.003","86.951","0.003","2020.67","0.18","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol‒4,4'-bipyridyl‒water (2/1/2)","","- C46 H44 N2 O4 Si2 -","- C46 H44 N2 O4 Si2 -","- C92 H88 N4 O8 Si4 -","2","1","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.1066","0.052","","","0.1082","0.1312","","","","","","1.013","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102498","18.46948","0.00006","16.1745","0.00005","16.82131","0.00005","90","","90","","90","","5025.11","0.03","293","","293","","","","","","","","","2","C m c e","-C 2ac 2","64","","magnesium iridium","","- Ir Mg -","- Ir Mg -","- Ir152 Mg152 -","152","9.5","AV5006","Cerný, Radovan; Renaudin, Guillaume; Favre-Nicolin, Vincent; Hlukhyy, Viktor; Pöttgen, Rainer","Mg~1+<i>x~</i>Ir~1{-~<i>x</i>} (<i>x</i> = 0, 0.037 and 0.054), a binary intermetallic compound with a new orthorhombic structure type determined from powder and single-crystal X-ray diffraction","Acta Crystallographica Section B","2004","60","3","272","281","10.1107/S0108768104009346","","","0.50012","synchrotron","","","","","","","","","","","","","","","","","has coordinates","198532","2020-10-21","18:00:00",""
"2102499","5.8164","0.0003","5.8164","0.0003","5.8164","0.0003","90","","90","","90","","196.772","0.018","","","293","2","","","","","","","","2","F 2 3","","","","","","- Cu2 Se -","- Cu8.24 Se4 -","- Cu8.24 Se4 -","","","AV5007","Machado, K. D.; de Lima, J. C.; Grandi, T. A.; Campos, C. E. M.; Maurmann, C. E.; Gasperini, A. A. M.; Souza, S. M.; Pimenta, A. F.","Structural study of Cu~2{-~<i>x</i>}Se alloys produced by mechanical alloying","Acta Crystallographica Section B","2004","60","3","282","286","10.1107/S0108768104007475","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102500","5.7762","0.0003","5.7762","0.0003","5.7762","0.0003","90","","90","","90","","192.72","0.017","","","293","2","","","","","","","","2","F m -3 m","","","","","","- Cu1.8 Se -","- Cu7.36 Se4 -","- Cu7.36 Se4 -","","","AV5007","Machado, K. D.; de Lima, J. C.; Grandi, T. A.; Campos, C. E. M.; Maurmann, C. E.; Gasperini, A. A. M.; Souza, S. M.; Pimenta, A. F.","Structural study of Cu~2{-~<i>x</i>}Se alloys produced by mechanical alloying","Acta Crystallographica Section B","2004","60","3","282","286","10.1107/S0108768104007475","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102501","7.0281","0.001","6.9388","0.0009","11.5612","0.0015","90","","106.735","0.012","90","","539.92","0.13","295","1","295","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C20 H16 Br2 N6 O4 -","2","0.5","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0343","0.0291","","","0.0718","0.0745","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102502","7.018","0.0014","6.916","0.0012","11.546","0.002","90","","106.41","0.015","90","","537.57","0.17","250","1","250","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C20 H16 Br2 N6 O4 -","2","0.5","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0576","0.0422","","","0.0917","0.0996","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102503","6.9955","0.0009","6.8657","0.0008","22.99","0.002","90","","106.356","0.01","90","","1059.5","0.2","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0925","0.0492","","","0.1225","0.1366","","","","","","1.127","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102504","6.9854","0.0012","6.8362","0.0009","22.945","0.002","90","","106.466","0.013","90","","1050.8","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0947","0.0435","","","0.0838","0.0947","","","","","","1.017","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102505","6.9723","0.0005","6.8169","0.0004","22.9","0.0012","90","","106.478","0.006","90","","1043.72","0.12","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0407","0.0329","","","0.0651","0.0678","","","","","","1.069","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102506","6.9654","0.001","6.8215","0.001","11.3983","0.0017","92.683","0.013","106.506","0.012","90.277","0.012","518.6","0.14","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C20 H16 Br2 N6 O4 -","2","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0605","0.0578","","","0.16","0.1613","","","","","","1.114","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102507","6.9923","0.0012","6.8497","0.001","22.9702","0.0016","90","","106.419","0.014","90","","1055.3","0.3","170","1","170","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.1008","0.0453","","","0.0886","0.0997","","","","","","1.01","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102508","7.3422","0.0004","12.9876","0.0007","13.9429","0.0008","90","","90","","90","","1329.56","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Di-μ-hydroxobis[cis-diammineplatinum(II)] bis(perchlorate)","","- Cl2 H14 N4 O10 Pt2 -","- Cl2 H12 N4 O10 Pt2 -","- Cl8 H48 N16 O40 Pt8 -","4","1","BM5007","Sakai, Ken; Konno, Yosuke; Takayama, Noboru; Takahashi, Satoru","First bent form for the hydroxo-bridged <i>cis</i>-diammineplatinum(II) dimer [Pt~2~(NH~3~)~4~(μ-OH)~2~](ClO~4~)~2~","Acta Crystallographica Section B","2004","60","3","255","262","10.1107/S0108768104004513","","","0.71073","MoKα","","0.0264","0.0238","","","0.0551","0.0562","","","","","","0.977","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102509","6.963","0.001","12.4686","0.0016","14.854","0.0015","90","","101.01","0.01","90","","1265.9","0.3","0","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","cis-Diaqua-(2,2-bipyridyl-N,N')-copper sulfate","","- C10 H12 Cu N2 O6 S -","- C10 Cu N2 O6 S -","- C40 Cu4 N8 O24 S4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102510","9.515","0.007","11.909","0.009","13.003","0.01","90","","90","","90","","1473.4","1.9","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","Dinitro-(1,4,7,10-tetra-azacyclododecane) cobalt(iii) chloride monhydrate","","- C8 H22 Cl Co N6 O5 -","- C8 H22 Cl Co N6 O5 -","- C32 H88 Cl4 Co4 N24 O20 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoKα","","0.0289","0.028","","","0.0877","0.0877","","","","","","1.455","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102511","13.1422","0.0015","12.1676","0.0015","34.638","0.004","90","","90","","90","","5538.9","1.1","0","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","3',6'-O-(1,1,3,3-Tetraisopropyl-disiloxane-1,3-diyl)-neplancin A","","- C23 H39 N5 O4 Si2 -","- C23 N5 O4 Si2 -","- C184 N40 O32 Si16 -","8","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102512","27.869","0.001","5.771","0.003","11.758","0.005","90","","91.43","0.01","90","","1890.5","1.3","0","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(R*,R*)-4,4'-Bi(1-t-butylcyclohexen-3-one)","","- C20 H30 O2 -","- C20 O2 -","- C80 O8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102513","18.63","0.0018","16.61","0.002","16.972","0.003","90","","108.02","0.009","90","","4994.3","1.2","0","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","N-(3-Aminpropyl)-N'-3-(anthracen-9-ylmethyl)aminpropylethane-1,2-diamin)- chloro-copper chloride monhydrate","","- C23 H34 Cl2 Cu N4 O -","- C23 H34 Cl2 Cu N4 O -","- C184 H272 Cl16 Cu8 N32 O8 -","8","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2102514","19.036","0.01","6.508","0.002","29.178","0.018","90","","90","","90","","3615","3","0","","","","","","","","","","","6","C 2 2 21","C 2c 2","20","","Calcium bis(phenxypenicillin) dihydrate","","- C32 H38 Ca N4 O12 S2 -","- C32 Ca N4 O12 S2 -","- C128 Ca4 N16 O48 S8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102515","15.151","0.019","22.13","0.02","6.874","0.005","90","","90","","90","","2305","4","0","","","","","","","","","","","5","C m c 21","C 2c -2","36","","tris(Methyltriethylammonium) bis(dicarbonyl-(4,4',5,5'-tetracyan-2,2'-bi -imidazole-N,N')-iridium) dicyan-(4,4',5,5'-tetracyan-2,2'-bi-imidazole-N,N') -platinum acetonitrile solvate.","","- C21 H18 M N10 O2 -","- C21 H21 N10 O2 Pt -","- C84 H84 N40 O8 Pt4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2102516","6.707","0.001","17.023","0.004","22.938","0.002","90","","90","","90","","2618.9","0.8","0","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","4-(2-Chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone","","- C13 H12 Cl N O4 -","- C13 H12 Cl N O4 -","- C104 H96 Cl8 N8 O32 -","8","","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102517","23.1914","0.001","8.65","0.001","21.9","0.001","90","","90","","90","","4393.3","0.6","0","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Insine 5'-monphosphate nnahydrate","","- C10 H33 N4 O18.5 P -","- C10 N4 O18 P -","- C80 N32 O144 P8 -","8","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102518","8.626","0.002","28.871","0.008","8.868","0.003","90","","99.02","0.02","90","","2181.2","1.1","0","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-((mu!2$-Acetato-O,O')-(acetato-O,O')-(pyridine)-zinc(ii))","","- C18 H22 N2 O8 Zn2 -","- C18 N2 O8 Zn2 -","- C72 N8 O32 Zn8 -","4","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102519","11.78","0.002","9.734","0.002","8.401","0.002","90","","104.05","0.02","90","","934.5","0.3","0","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","bis(Pyridine)-tetra-aqua-iron(ii) diacetate","","- C14 H24 Fe N2 O8 -","- C14 H24 Fe N2 O8 -","- C28 H48 Fe2 N4 O16 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2102520","17.257","0.004","5.533","0.001","18.053","0.004","90","","98.14","0.02","90","","1706.4","0.6","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","trans-(1,4,8,11-Tetra-azacyclotetradecane)-dioxo-rhenium hexafluorophosphate","","- C10 H24 F6 N4 O2 P Re -","- C10 F6.04 N4 O2 P Re -","- C40 F24.16 N16 O8 P4 Re4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.086","0.0771","","","0.1851","0.1919","","","","","","1.319","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102521","20.939","0.002","25.243","0.004","16.048","0.001","90","","90","","90","","8482.4","1.7","0","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","bis(mu!4$-N,N-Diethylcarbamato-O,O',O'',O''')-tetrakis(mu!3$-N,N-diethylcarba- mato-O,O',O'')-hexakis(mu!2$-N,N-diethylcarbamato-O,O')-hexa-iron","","- C60 H120 Fe6 N12 O24 -","- C60 Fe6 N12 O24 -","- C240 Fe24 N48 O96 -","4","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102522","29.327","0.012","16.743","0.007","19.458","0.006","90","","90","","90","","9554","6","0","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","bis(2,2'-bis(p-tolylphosphin)-1,1-binaphthyl)-palladium(0) benzene solvate","","- C120 H104 P4 Pd -","- C120 P4 Pd -","- C480 P16 Pd4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102523","30.123","0.013","7.564","0.006","11.044","0.006","90","","91.27","0.01","90","","2516","3","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","bis(4-Amin-N-2-thiazolylbenzenesulfonamide-N)-dichloro-methanl-copper(ii) bis(Sulfathiazole-N)-dichloro-methanl-copper(ii)","","- C19 H22 Cl2 Cu N6 O5 S4 -","- C19 Cl2 Cu N6 O5 S4 -","- C76 Cl8 Cu4 N24 O20 S16 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoKα","","0.055","0.053","","","0.1556","0.1562","","","","","","1.163","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102524","15.2963","0.0019","6.2028","0.0007","17.815","0.0018","90","","106.196","0.004","90","","1623.2","0.3","0","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(tetrakis(mu!2$-4-Aminbenzoato)-diaqua-di-cadmium tetrahydrate)","","- C14 H18 Cd N2 O7 -","- C14 Cd N2 O7 -","- C56 Cd4 N8 O28 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102525","10.391","0.002","7.252","0.003","20.662","0.002","90","","97.47","0.02","90","","1543.8","0.7","0","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Ferrocenylmethylene-2-phenyl-4H-oxazol-5-one","","- C20 H15 Fe N O2 -","- C20 H15 Fe N O2 -","- C80 H60 Fe4 N4 O8 -","4","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2102526","13.303","0.003","7.835","0.002","18.169","0.004","90","","90","","90","","1893.7","0.8","0","","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","bis((mu!2$-Chloro)-diaqua-(2,4-pentanedione-O,O')-magnesium) diaqua-bis(2,4-pe ntanedione-O,O')-magnesium dichloride","","- C20 H44 Cl6 Mg3 O14 -","- C20 Cl6 Mg3 O14 -","- C40 Cl12 Mg6 O28 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.166","0.129","","","0.4471","0.4726","","","","","","2.65","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102527","20.639","0.003","16.657","0.003","6.705","0.003","90","","90","","90","","2305.1","1.2","0","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tris((mu!2$-Cyan)-tetracarbonyl-rhenium)","","- C12 N6 O12 Re3 -","- C12 N6 O12 Re3 -","- C48 N24 O48 Re12 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102528","5.628","0.001","7.207","0.002","13.126","0.002","90","","100.12","0.06","90","","524.1","0.2","0","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(4'-Cyanphenylthio)-5-methylthiadiazole","","- C10 H7 N3 S2 -","- C10 H7 N3 S2 -","- C20 H14 N6 S4 -","2","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102529","11.183","0.003","11.183","0.003","3.525","0.002","90","","90","","90","","440.8","0.3","0","","","","","","","","","","","4","P 42/m","-P 4c","84","","trans-bis(mu!2$-Chloro)-dichloro-dicarbonyl-di-platinum(ii)","","- C2 Cl4 O2 Pt2 -","- C2 Cl4 O2 Pt2 -","- C4 Cl8 O4 Pt4 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102530","7.11","0.004","6.993","0.004","7.678","0.004","90","","117.04","0.04","90","","340","0.3","0","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dihydro-1H-pyrrolizine-3,5(2H,6H)-dione","","- C7 H9 N O2 -","- C7 N O2 -","- C14 N2 O4 -","2","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102531","17.514","0.004","10.639","0.002","20.106","0.004","90","","102.29","0.03","90","","3660.5","1.4","0","","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dichloro-(S-methyl beta-N-((2-hydroxyphenyl)ethylidene)dithiocarbazato)-bis (triphenylphosphine)-rhenium(v)","","- C38 H33 Cl2 N2 P2 Re S2 -","- C38 Cl2 N2 P2 Re S2 -","- C152 Cl8 N8 P8 Re4 S8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.0498","0.0492","","","0.2545","0.2588","","","","","","1.182","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102532","16.409","0.003","10.506","0.004","7.825","0.003","90","","90","","90","","1349","0.8","0","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","bis(eta$6!-Benzene)-chromium hydroxide trihydrate","","- C12 H19 Cr O4 -","- C12 H12 Cr O4 -","- C48 H48 Cr4 O16 -","4","","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102533","11.0341","0.001","16.814","0.002","10.844","0.001","90","","90","","90","","2011.9","0.4","0","","","","","","","","","","","6","C m c m","-C 2c 2","63","","mer,trans-Trichloro-phenylimido-bis(trimethylphosphine)-rhenium","","- C12 H23 Cl3 N P2 Re -","- C12 H23 Cl3 N P2 Re -","- C48 H92 Cl12 N4 P8 Re4 -","4","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199781","2020-10-21","18:00:00",""
"2102534","11.2624","","9.711","","25.998","","90","","90","","90","","2843.38","","0","","","","","","","","","","","3","C m c m","-C 2c 2","63","","mu!3$-eta$4!,eta$4!-Buta-1,3-dien-1,4-diyl)-(mu!2$-hydrido)-tris (eta$4!-cyclo-octa-1,5-diene)-tri-iridium","","- C12 H13 Ir3 -","- C12 Ir3 -","- C48 Ir12 -","4","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102535","15.592","0.002","8.642","0.002","16.677","0.002","90","","114.773","0.009","90","","2040.4","0.6","0","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bis(1,4-Dimethyl-9-triptycyl)ethyne chloroform solvate","","- C48 H36 Cl6 -","- C48 Cl6 -","- C96 Cl12 -","2","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102536","13.869","0.004","10.851","0.003","12.799","0.005","90","","90","","90","","1926.2","1.1","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","tris(1,2-Di-imidobenzene)-technetium(vii) pertechnetate","","- C18 H18 N6 O4 Tc2 -","- C18 N6 Tc2 -","- C72 N24 Tc8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.1215","0.1215","","","0.6052","0.6059","","","","","","3.25","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102537","8.929","0.002","8.437","0.002","7.542","0.002","90","","92.65","0.03","90","","567.6","0.2","0","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","bis(n-propylamine)dichloropalladium(II)","","- C6 H18 Cl2 N2 Pd -","- C6 H18 Cl2 N2 Pd -","- C12 H36 Cl4 N4 Pd2 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102538","11.253","0.002","13.75","0.002","29.289","0.006","78.01","0.02","89.72","0.02","81.16","0.02","4378.6","1.4","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","1-(perfluorobutyl)undecanoic acid","","- C15 H21 F9 O2 -","- C15 H21 F9 O2 -","- C150 H210 F90 O20 -","10","5","DE5003","Lehmler, Hans-Joachim; Parkin, Sean; Brock, Carolyn Pratt","Packing conflicts in the <i>Z</i>' = 5 structure of CF~3~(CF~2~)~3~(CH~2~)~10~COOH","Acta Crystallographica Section B","2004","60","3","325","332","10.1107/S0108768104005609","","","0.71073","MoKα","","0.1305","0.0495","","","0.0869","0.107","","","","","","0.97","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102539","14.0059","0.0001","5.1399","0.0001","41.9853","0.0006","90","","90","","90","","3022.48","0.08","78","2","78","2","","","","","","","","4","P n a 21","P 2c -2n","33","","alpha form of 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","","- C17 H12 N4 O4 -","- C17 H12 N4 O4 -","- C136 H96 N32 O32 -","8","2","OG0001","Ohashi, Yuji","Packing-dependent photochromism: the case of photoinduced intramolecular proton transfer in 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","Acta Crystallographica Section B","2004","60","3","343","349","10.1107/S0108768104005506","","","0.71073","MoKα","","0.1017","0.064","","","0.1564","0.1794","","","","","","1.033","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102540","20.836","0.0003","5.2746","0.0001","14.0971","0.0002","90","","104.457","0.001","90","","1500.24","0.04","78","2","78","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","gamma form of 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","","- C17 H12 N4 O4 -","- C17 H12 N4 O4 -","- C68 H48 N16 O16 -","4","1","OG0001","Ohashi, Yuji","Packing-dependent photochromism: the case of photoinduced intramolecular proton transfer in 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","Acta Crystallographica Section B","2004","60","3","343","349","10.1107/S0108768104005506","","","0.71073","MoKα","","0.0573","0.0489","","","0.1413","0.1526","","","","","","1.112","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102541","8.7336","0.0004","10.959","0.0007","17.2709","0.001","91.232","0.004","92.703","0.004","109.472","0.004","1555.53","0.16","345","2","345","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5009","Fernandes, Manuel A.; Levendis, Demetrius C.; Schoening, F. R. Ludwig","A new polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid: single-to-single-crystal phase transformation and mechanism","Acta Crystallographica Section B","2004","60","3","300","314","10.1107/S0108768104009048","","","0.71073","MoKα","","0.1022","0.0494","","","0.1262","0.1524","","","","","","1.021","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102542","8.7373","0.0005","11.0167","0.0008","17.295","0.001","91.187","0.004","92.775","0.005","108.938","0.004","1571.62","0.18","375","2","375","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5009","Fernandes, Manuel A.; Levendis, Demetrius C.; Schoening, F. R. Ludwig","A new polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid: single-to-single-crystal phase transformation and mechanism","Acta Crystallographica Section B","2004","60","3","300","314","10.1107/S0108768104009048","","","0.71073","MoKα","","0.1554","0.0492","","","0.1169","0.1569","","","","","","0.876","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102543","8.6759","0.0011","11.0003","0.0013","17.299","0.002","92.552","0.003","92.347","0.002","111.155","0.003","1535.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5009","Fernandes, Manuel A.; Levendis, Demetrius C.; Schoening, F. R. Ludwig","A new polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid: single-to-single-crystal phase transformation and mechanism","Acta Crystallographica Section B","2004","60","3","300","314","10.1107/S0108768104009048","","","0.71073","MoKα","","0.16","0.0678","","","0.1724","0.2202","","","","","","0.904","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102544","8.6452","0.0013","10.8577","0.0017","17.262","0.003","92.47","0.003","92.102","0.003","112.563","0.003","1492.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5009","Fernandes, Manuel A.; Levendis, Demetrius C.; Schoening, F. R. Ludwig","A new polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid: single-to-single-crystal phase transformation and mechanism","Acta Crystallographica Section B","2004","60","3","300","314","10.1107/S0108768104009048","","","0.71069","MoKα","","0.1075","0.053","","","0.117","0.1357","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102545","8.6452","0.0013","10.8577","0.0017","17.262","0.003","92.47","0.003","92.102","0.003","112.563","0.003","1492.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71069","MoKα","","0.1075","0.053","","","0.117","0.1357","","","","","","1.033","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102546","8.6164","0.001","10.8765","0.0014","17.292","0.002","93.157","0.002","92.001","0.002","112.657","0.003","1490.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71069","MoKα","","0.1136","0.0525","","","0.1176","0.1416","","","","","","1.002","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102547","8.4919","0.0013","10.9148","0.0017","17.372","0.003","96.027","0.003","91.772","0.003","111.956","0.003","1480.8","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71073","MoKα","","0.1386","0.0624","","","0.1421","0.1715","","","","","","1.034","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102548","8.3863","0.0013","10.9711","0.0018","17.427","0.003","98.323","0.003","91.809","0.003","111.336","0.003","1471.6","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71073","MoKα","","0.1169","0.0543","","","0.1181","0.1395","","","","","","0.985","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102549","8.3099","0.0012","11.0026","0.0016","17.471","0.003","99.768","0.003","91.912","0.003","110.392","0.003","1468.2","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71073","MoKα","","0.0878","0.0455","","","0.1014","0.1158","","","","","","1.007","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102550","7.6044","0.0001","7.6044","0.0001","2.9063","0.0001","90","","90","","120","","145.546","0.006","295","","295","","","","","","","","","2","P 63/m","-P 6c","176","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75022","synx","","0.0196","0.0196","","0.0146","","0.0146","","","2.0102","","","2.0102","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102551","7.6044","0.0001","7.6044","0.0001","2.9063","0.0001","90","","90","","120","","145.546","0.006","295","","295","","","","","","","","","2","P 63","P 6c","173","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75022","synx","","0.0184","0.0184","","0.0135","","0.0135","","","1.8771","","","1.8771","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102552","7.6015","0.0003","7.6015","0.0003","2.9061","0.0001","90","","90","","120","","145.425","0.013","200","","295","","","","","","","","","2","P 63/m","-P 6c","176","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0136","0.0136","","0.0114","","0.0114","","","1.8857","","","1.8857","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102553","7.6015","0.0003","7.6015","0.0003","2.9061","0.0001","90","","90","","120","","145.425","0.013","200","","295","","","","","","","","","2","P 63","P 6c","173","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0129","0.0129","","0.0106","","0.0106","","","1.7564","","","1.7564","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102554","7.602","0.0002","7.602","0.0002","2.906","0.0001","90","","90","","120","","145.439","0.009","150","","295","","","","","","","","","2","P 63/m","-P 6c","176","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0143","0.0143","","0.0136","","0.0136","","","1.8369","","","1.8369","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102555","7.602","0.0002","7.602","0.0002","2.906","0.0001","90","","90","","120","","145.439","0.009","150","","295","","","","","","","","","2","P 63","P 6c","173","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0149","0.0149","","0.0136","","0.0136","","","1.841","","","1.841","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102556","11.792","0.001","3.9214","0.0004","10.189","0.001","90","","100.596","0.002","90","","463.12","0.08","295","","295","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li3 O13 V6 -","- Li3 O13 V6 -","- Li6 O26 V12 -","2","0.25","BM5009","Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O.","Li~3+{δ~}V~6~O~13~: a short-range-ordered lithium insertion mechanism","Acta Crystallographica Section B","2004","60","4","382","387","10.1107/S0108768104013096","","","0.56083","AgKα","","0.0567","0.0567","","","0.0593","0.0593","","","","","","2.09","","","","has coordinates","133633","2020-10-21","18:00:00",""
"2102557","11.7236","0.0006","3.9155","0.0002","10.1521","0.0005","90","","100.592","0.002","90","","458.08","0.04","295","","295","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li3.25 O13 V6 -","- Li3.2478 O13 V6 -","- Li6.4956 O26 V12 -","2","0.25","BM5009","Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O.","Li~3+{δ~}V~6~O~13~: a short-range-ordered lithium insertion mechanism","Acta Crystallographica Section B","2004","60","4","382","387","10.1107/S0108768104013096","","","0.872","synchrotron","","0.0293","0.0293","","","0.048","0.048","","","","","","3.24","","","","has coordinates","133633","2020-10-21","18:00:00",""
"2102558","11.6666","0.0001","8.1343","0.0001","23.8366","0.0002","90","","99.6985","0.0006","90","","2229.75","0.04","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutyl)pentasulfane","","- C16 H24 Cl2 O2 S5 -","- C16 H24 Cl2 O2 S5 -","- C64 H96 Cl8 O8 S20 -","4","1","CK5003","Rae, David; Linden, Anthony; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","Bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)pentasulfane: an Occupancy Modulated Structure","Acta Crystallographica, Section B","2004","60","4","416","423","10.1107/S0108768104010699","","","0.71073","MoKα","","0.0517","0.0325","","","0.0782","0.0863","","","","","","1.035","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102559","11.6666","0.0001","8.1343","0.0001","23.8366","0.0002","90","","99.6985","0.0006","90","","2229.75","0.04","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutyl)pentasulfane","","- C16 H24 Cl2 O2 S5 -","- C16 H24 Cl2 O2 S5 -","- C64 H96 Cl8 O8 S20 -","4","1","CK5003","Rae, David; Linden, Anthony; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","Bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)pentasulfane: an Occupancy Modulated Structure","Acta Crystallographica, Section B","2004","60","4","416","423","10.1107/S0108768104010699","","","0.71073","MoKα","","","0.039","","","0.059","0.059","","","","","","1.42","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102560","4.185","0.0007","4.185","0.0007","4.185","0.0007","90","","90","","90","","73.3","0.02","190","1","190","1","","","","","","","","3","P m -3 m","-P 4 2 3","221","potassium manganese trifluoride","potassium manganese trifluoride","","- F3 K Mn -","- F3 K Mn -","- F3 K Mn -","1","0.0208333","LC5001","Ivanov, Yury; Tanaka, Kiyoaki","Electron density and electrostatic potential of KMnF~3~: A phase transition study","Acta Crystallographica, Section B","2004","60","3","359","368","10.1107/S0108768104009437","","","0.71069","MoKα","","","0.006","","","0.0086","0.0089","","","","","","0.99","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2102561","4.1869","0.0005","4.1869","0.0005","4.1869","0.0005","90","","90","","90","","73.4","0.02","240","1","240","1","","","","","","","","3","P m -3 m","-P 4 2 3","221","potassium manganese trifluoride","potassium manganese trifluoride","","- F3 K Mn -","- F3 K Mn -","- F3 K Mn -","1","0.0208333","LC5001","Ivanov, Yury; Tanaka, Kiyoaki","Electron density and electrostatic potential of KMnF~3~: A phase transition study","Acta Crystallographica, Section B","2004","60","3","359","368","10.1107/S0108768104009437","","","0.71069","MoKα","","","0.0064","","","0.009","0.0095","","","","","","1.02","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2102562","4.1893","0.0002","4.1893","0.0002","4.1893","0.0002","90","","90","","90","","73.52","0.01","298","1","298","1","","","","","","","","3","P m -3 m","-P 4 2 3","221","potassium manganese trifluoride","potassium manganese trifluoride","","- F3 K Mn -","- F3 K Mn -","- F3 K Mn -","1","0.0208333","LC5001","Ivanov, Yury; Tanaka, Kiyoaki","Electron density and electrostatic potential of KMnF~3~: A phase transition study","Acta Crystallographica, Section B","2004","60","3","359","368","10.1107/S0108768104009437","","","0.71069","MoKα","","","0.0053","","","0.0071","0.0076","","","","","","0.99","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2102563","7.7795","0.0002","19.6931","0.0006","4.90643","0.00011","90","","103.691","0.0015","90","","730.32","0.03","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","hygroscopic alpha-lactose","4-O-beta-D-galactopyranosyl-D-glucopyranose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","LC5007","Cyril Platteau; Jacques Lefebvre; Frederic Affouard; Patrick Derollez","<i>Ab initio</i> structure determination of the hygroscopic anhydrous form of α-lactose by powder X-ray diffraction","Acta Crystallographica Section B","2004","60","4","453","460","10.1107/S0108768104014375","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102564","3.6673","0.0006","9.7608","0.0019","11.8421","0.0015","97.647","0.013","90.219","0.013","100.537","0.016","412.87","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","2-hydroxyisophthalic acid","2-hydroxybenzene-1,2-dioic acid","","- C8 H8 O6 -","- C8 H8 O6 -","- C16 H16 O12 -","2","1","NA5013","Bawa, Shaleen; Coté, Marie L.; Dubois, Patrick; Lalancette, Roger A.; Thompson, Hugh W.","2-Hydroxyisophthalic acid: hydrogen-bonding patterns in the monohydrate and the tetraphenylphosphonium salt. An instance of dramatic acidity enhancement by symmetric, internally hydrogen-bonded anion stabilization","Acta Crystallographica Section B","2004","60","4","438","446","10.1107/S0108768104012686","","","0.71073","MoKα","","0.084","0.059","","","0.173","0.186","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102565","15.287","0.005","8.027","0.003","22.144","0.007","90","","101.15","0.02","90","","2666","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylphosphonium 2-hydroxyisophthalate","tetraphenylphosphonium 2-hydroxybenzene-1,3-dioate","","- C32 H25 O5 P -","- C32 H25 O5 P -","- C128 H100 O20 P4 -","4","1","NA5013","Bawa, Shaleen; Coté, Marie L.; Dubois, Patrick; Lalancette, Roger A.; Thompson, Hugh W.","2-Hydroxyisophthalic acid: hydrogen-bonding patterns in the monohydrate and the tetraphenylphosphonium salt. An instance of dramatic acidity enhancement by symmetric, internally hydrogen-bonded anion stabilization","Acta Crystallographica Section B","2004","60","4","438","446","10.1107/S0108768104012686","","","0.71073","MoKα","","0.133","0.063","","","0.113","0.137","","","","","","1.01","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102566","21.3279","0.0008","8.9299","0.0004","8.8382","0.0004","90","","99.4537","0.0017","90","","1660.43","0.12","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4'-Hexaacetato-6,6'-bis-O-methylsulfonyl-α,α'-trehalose","","- C26 H38 O21 S2 -","- C26 H38 O21 S2 -","- C52 H76 O42 S4 -","2","0.5","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.0575","0.0514","","","0.132","0.1453","","","","","","1.051","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102567","18.1484","0.0009","21.1046","0.0009","23.4224","0.0014","90","","90","","90","","8971.1","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2',3,3',4,4'-Hexaacetato-6,6'-bis-O-(4-toluenesulfonyl)-α,α'-trehalose","","- C38 H46 O21 S2 -","- C38 H46 O21 S2 -","- C304 H368 O168 S16 -","8","2","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.1322","0.0596","","","0.1118","0.1364","","","","","","0.961","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102568","12.2281","0.0004","15.5803","0.0006","18.1066","0.0008","90","","90","","90","","3449.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2',3,3',4,4'-Hexaacetato-6,6'-diazido-α,α'-trehalose ethanol solvate","","- C24.7 H34.1 N6 O15.35 -","- C24.7 H34.1 N6 O15.35 -","- C98.8 H136.4 N24 O61.4 -","4","1","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.1312","0.0704","","","0.1614","0.1909","","","","","","0.993","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102569","8.8385","0.0002","21.8363","0.0008","8.0831","0.0002","90","","90","","90","","1560.04","0.08","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2,2',3,3'-Tetraacetato-6,6'-bis(N-acetylamino)-α,α'-trehalose dihydrate","","- C24 H40 N2 O17 -","- C24 H40 N2 O17 -","- C48 H80 N4 O34 -","2","0.5","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.0706","0.0546","","","0.1381","0.1475","","","","","","1.12","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102570","8.6093","0.0002","8.6093","0.0002","22.1566","0.0008","90","","90","","90","","1642.25","0.08","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","6,6'-diamino-α,α'-trehalose dihydrate","","- C12 H28 N2 O11 -","- C12 H28 N2 O11 -","- C48 H112 N8 O44 -","4","0.5","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.0585","0.0434","","","0.1156","0.1256","","","","","","0.975","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102571","16.1564","0.0006","9.3589","0.0003","8.3326","0.0003","90","","96.333","0.001","90","","1252.25","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Iodo-N-(4-nitrobenzyl)aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","1","NA5018","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2004","60","4","472","480","10.1107/S0108768104012017","","","0.71073","MoKα","","0.0308","0.0277","","","0.0655","0.0668","","","","","","1.084","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102572","7.0966","0.0002","12.5908","0.0004","13.836","0.0006","90","","90","","90","","1236.27","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Iodo-N-(4-nitrobenzyl))aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","1","NA5018","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2004","60","4","472","480","10.1107/S0108768104012017","","","0.71073","MoKα","","0.042","0.0297","","","0.0469","0.0495","","","","","","1.013","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102573","21.2778","0.0015","8.1809","0.0005","7.2793","0.0004","90","","94.316","0.002","90","","1263.53","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Iodo-N-(3-nitrobenzyl))aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","1","NA5018","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2004","60","4","472","480","10.1107/S0108768104012017","","","0.71073","MoKα","","0.0727","0.0352","","","0.058","0.0652","","","","","","0.998","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102574","8.1685","0.0001","10.8834","0.0002","15.4372","0.0002","76.9219","0.0009","80.0727","0.0007","74.2167","0.0007","1277.36","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Iodo-N-(2-nitrobenzyl))aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","2","NA5018","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2004","60","4","472","480","10.1107/S0108768104012017","","","0.71073","MoKα","","0.0416","0.038","","","0.1034","0.106","","","","","","1.137","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102575","5.0472","0.0002","11.3381","0.0005","16.8796","0.0007","90","","94.331","0.003","90","","963.19","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-carboethoxy-6-benzyloxy-4-methoxymethyl-beta carboline","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C46 H44 N4 O8 -","2","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0543","0.0434","","","0.0978","0.1033","","","","","","1.077","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102576","9.9033","0.0005","11.5758","0.0004","17.1805","0.0009","90","","90","","90","","1969.55","0.16","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ZK91296","3-carboxyethoxy-5-benzyloxy-4-methoxymethyl-beta-carboline","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0785","0.0482","","","0.0974","0.1105","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102577","14.3632","0.0005","7.6804","0.0002","19.6712","0.0007","90","","90.934","0.0012","90","","2169.74","0.12","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-carbomethylamide-beta-carboline","3-carbomethylamide-beta-carboline","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0723","0.0482","","","0.1253","0.1484","","","","","","1.125","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102578","16.9891","0.0004","12.5409","0.0003","13.7967","0.0004","90","","121.896","0.0011","90","","2495.67","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","harmine hydrochloride","1-methyl-7-methoxy-beta-carboline hydrochloride hemihydrate","","- C13 H14 Cl N2 O1.5 -","- C13 H14 Cl N2 O1.5 -","- C104 H112 Cl8 N16 O12 -","8","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0819","0.0472","","","0.1058","0.1285","","","","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102579","10.5077","0.0009","13.2881","0.0012","13.515","0.0012","90","","101.924","0.001","90","","1846.3","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","knime","HIV protease inhibitor KNI272: iQoa-Mta-Apns-Thz-tBu methanol","","- C34 H45 N5 O7 S2 -","- C34 H45 N5 O7 S2 -","- C68 H90 N10 O14 S4 -","2","1","OG5001","Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki","Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide","Acta Crystallographica Section B","2004","60","4","433","437","10.1107/S0108768104013047","","","0.71073","MoKα","","0.0349","0.0333","","","0.0835","0.0846","","","","","","1.026","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102580","29.39","0.006","12.882","0.003","10.609","0.002","90","","103.373","0.003","90","","3907.7","1.4","90","0.2","90","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","HIV protease inhibitor KNI272: iQoa-Mta-Apns-Thz-tBu dimethylsuloxide","","- C35 H47 N5 O7 S3 -","- C35 H47 N5 O7 S3 -","- C140 H188 N20 O28 S12 -","4","1","OG5001","Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki","Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide","Acta Crystallographica Section B","2004","60","4","433","437","10.1107/S0108768104013047","","","0.71073","MoKα","","0.0526","0.0443","","","0.1136","0.1184","","","","","","0.992","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102581","10.6395","0.0007","13.213","0.0009","14.6921","0.001","90","","98.931","0.001","90","","2040.4","0.2","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","knia","HIV protease inhibitor KNI272: iQoa-Mta-Apns-Thz-tBu diacetone","","- C39 H53 N5 O8 S2 -","- C39 H53 N5 O8 S2 -","- C78 H106 N10 O16 S4 -","2","1","OG5001","Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki","Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide","Acta Crystallographica Section B","2004","60","4","433","437","10.1107/S0108768104013047","","","0.71073","MoKα","","0.0295","0.0286","","","0.0729","0.0736","","","","","","1.034","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102582","7.114","0.0002","3.57177","0.0001","6.2846","0.00017","90","","90.069","0.003","90","","159.689","0.008","293","","295","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","vanadium pentoxide","divanadium pentoxide","","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.5","SN0038","Filonenko, V. P.; Sundberg, M.; Werner, P.-E.; Zibrov, I. P.","Structure of a high-pressure phase of vanadium pentoxide, β-V~2~O~5~","Acta Crystallographica Section B","2004","60","4","375","381","10.1107/S0108768104012881","","neutron","1.47","neutron","","","","","","","","","","1.07","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102584","11.9503","0.0019","7.9347","0.0013","12.1664","0.0019","90","","118.321","0.003","90","","1015.6","0.3","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-benzylideneaniline","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0858","0.0461","","","0.1117","0.1354","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102585","11.8429","0.0009","7.7182","0.0005","12.1211","0.0009","90","","118.341","0.001","90","","975.14","0.12","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-benzylideneaniline","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0427","0.0351","","","0.0953","0.103","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102586","6.6639","0.0007","30.878","0.003","7.6091","0.0009","90","","133.576","0.002","90","","1134.3","0.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-benzylidene-4-carboxyaniline","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0698","0.0603","","","0.1536","0.1596","","","","","","1.112","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102587","6.6193","0.0005","30.381","0.002","7.5764","0.0006","90","","134.151","0.001","90","","1093.21","0.14","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-benzylidene-4-carboxyaniline","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0466","0.0448","","","0.1123","0.1134","","","","","","1.133","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102588","15.5033","0.0012","7.2979","0.0005","12.7983","0.0008","90","","123.625","0.001","90","","1205.74","0.15","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-nitroaniline","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.073","0.0441","","","0.1064","0.1253","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102589","15.4449","0.0013","7.107","0.0005","12.6557","0.0009","90","","123.37","0.001","90","","1160.15","0.15","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-nitroaniline","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0476","0.0368","","","0.1004","0.1095","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102590","12.8889","0.0008","7.1007","0.0004","14.0304","0.0008","90","","102.815","0.001","90","","1252.08","0.13","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-nitrobenzylidene)-4-methoxyaniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0675","0.0462","","","0.12","0.1414","","","","","","1.018","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102591","12.7478","0.0007","6.9429","0.0004","13.998","0.0008","90","","102.446","0.001","90","","1209.8","0.12","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-nitrobenzylidene)-4-methoxyaniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.042","0.0381","","","0.106","0.1108","","","","","","1.05","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102592","7.1098","0.0005","12.5649","0.0009","14.3814","0.001","72.617","0.001","83.926","0.001","86.144","0.001","1218.33","0.15","300","","300","","","","","","","","","4","P -1","-P 1","2","","N-(4-nitrobenzylidene)-4-methylaniline","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","2","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0791","0.0499","","","0.128","0.15","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102593","6.961","0.0004","12.3496","0.0007","14.3296","0.0008","73.168","0.001","82.719","0.001","85.061","0.001","1167.99","0.11","90","","90","","","","","","","","","4","P -1","-P 1","2","","N-(4-nitrobenzylidene)-4-methylaniline","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","2","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0411","0.0375","","","0.1066","0.1105","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102594","10.2529","0.0006","12.644","0.0007","18.2037","0.001","90","","95.998","0.001","90","","2347","0.2","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-methoxybenzylidene)aniline","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","2","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.1194","0.0566","","","0.113","0.1472","","","","","","1.012","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102595","10.0666","0.0013","12.6374","0.0017","17.732","0.002","90","","95.226","0.003","90","","2246.4","0.5","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-methoxybenzylidene)aniline","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","2","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0546","0.0425","","","0.1079","0.1176","","","","","","1.029","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102596","12.2403","0.0008","13.8088","0.0009","7.4287","0.0005","90","","90","","90","","1255.63","0.14","300","","300","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(4-methoxybenzylidene)-4-methylaniline","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0773","0.0545","","","0.1415","0.1614","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102597","12.0319","0.0017","13.819","0.0019","7.263","0.001","90","","90","","90","","1207.6","0.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(4-methoxybenzylidene)-4-methylaniline","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0356","0.0338","","","0.091","0.0925","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102598","14.6363","0.0011","10.8175","0.0008","14.7228","0.0011","90","","101.943","0.001","90","","2280.6","0.3","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-nitrobenzylidene)aniline","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.1245","0.0649","","","0.1367","0.1741","","","","","","1.032","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102599","14.4053","0.0011","10.7367","0.0008","14.7627","0.0012","90","","101.617","0.002","90","","2236.5","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-nitrobenzylidene)aniline","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0671","0.0466","","","0.1138","0.1309","","","","","","1.024","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102600","14.2105","0.0012","10.6596","0.0009","14.8045","0.0012","90","","101.228","0.002","90","","2199.6","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-nitrobenzylidene)aniline","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0463","0.0391","","","0.1059","0.112","","","","","","1.021","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102601","5.9663","0.0005","7.3989","0.0007","13.7221","0.0012","90","","99.12","0.002","90","","598.09","0.09","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0781","0.0599","","","0.1746","0.1948","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102602","5.9174","0.0005","7.2879","0.0006","13.7049","0.00011","90","","99.233","0.002","90","","583.37","0.07","200","","200","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0604","0.053","","","0.1412","0.1477","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102603","5.8827","0.0006","7.1953","0.0007","13.6919","0.0014","90","","99.385","0.002","90","","571.79","0.1","90","","90","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0628","0.0591","","","0.1378","0.1414","","","","","","0.602","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102604","9.8766","0.0007","4.8839","0.0004","12.0187","0.0009","90","","90.499","0.001","90","","579.72","0.08","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0645","0.0518","","","0.1371","0.1489","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102605","9.8649","0.0006","4.8663","0.0003","11.9484","0.0008","90","","90.518","0.001","90","","573.57","0.06","250","","250","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0565","0.0477","","","0.1271","0.1346","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102606","9.8565","0.0006","4.8494","0.0003","11.8748","0.0007","90","","90.561","0.001","90","","567.57","0.06","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0522","0.0454","","","0.1269","0.1342","","","","","","1.079","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102607","9.8477","0.0006","4.8327","0.0003","11.7991","0.0007","90","","90.631","0.001","90","","561.5","0.06","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0482","0.0433","","","0.1206","0.1261","","","","","","1.059","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102608","9.8184","0.0006","4.8159","0.0003","11.7536","0.0007","90","","90.689","0.001","90","","555.72","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0436","0.0406","","","0.1171","0.1207","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102609","9.7961","0.0006","4.8169","0.0003","11.7947","0.0007","90","","90.614","0.001","90","","556.52","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0457","0.0417","","","0.1185","0.1228","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102610","9.8177","0.0005","4.815","0.0003","11.7497","0.0006","90","","90.691","0.001","90","","555.39","0.05","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0442","0.0402","","","0.1145","0.1187","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102611","9.8781","0.0007","4.8848","0.0004","12.0214","0.0009","90","","90.488","0.001","90","","580.04","0.08","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0652","0.0508","","","0.1358","0.149","","","","","","1.059","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102612","9.8785","0.0007","4.8853","0.0003","12.0209","0.0008","90","","90.489","0.001","90","","580.1","0.07","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0685","0.0535","","","0.145","0.1584","","","","","","1.065","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102613","9.7951","0.0005","4.8164","0.0003","11.7933","0.0007","90","","90.617","0.001","90","","556.34","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0466","0.0426","","","0.12","0.1245","","","","","","1.054","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102614","4.2279","0.001","8.009","0.002","13.569","0.003","101.18","0.005","98.946","0.005","102.349","0.005","430.91","0.18","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","bi-(4-pyridyl-N-oxide).1,4-diiodo-2,3,5,6-tetrafluorobenzene","","- C16 H8 F4 I2 N2 O2 -","- C16 H8 F4 I2 N2 O2 -","- C16 H8 F4 I2 N2 O2 -","1","0.5","BS5005","Riccardo Bianchi; Alessandra Forni; Tullio Pilati","Experimental Electron Density Study of the Supramolecular Aggregation between 4,4'-dipyridyl-N,N'-dioxide and 1,4-diiodotetrafluorobenzene at 90K","Acta Crystallographica, Section B","2004","60","4","559","568","10.1107/S0108768104014557","","","0.71073","MoKα","","0.0272","","","","","0.0504","","","","","","1.014","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102615","16.0682","0.0006","16.0682","0.0006","11.5317","0.0009","90","","90","","120","","2578.4","0.2","105","2","105","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","L-Isoleucyl-L-isoleucine nitrate","","- C13.08 H25 N3 O6 -","- C13.081 H25 N3 O6 -","- C78.486 H150 N18 O36 -","6","1","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.1079","0.0682","","","0.1612","0.1808","","","","","","1.058","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102616","16.2957","0.0019","23.426","0.002","9.5842","0.0009","90","","90","","90","","3658.7","0.6","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-Isoleucyl-L-isoleucine L-Isoleucyl-L-isoleucinium nitrate acetonitrile solvate","","- C13.8 H27.2 N3.4 O4.7 -","- C13.812 H27.218 N3.399 O4.674 -","- C110.496 H217.744 N27.192 O37.392 -","8","2","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.0545","0.0472","","","0.1238","0.129","","","","","","1.14","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2102617","7.6341","0.0003","12.5335","0.0006","16.3923","0.0007","90","","90","","90","","1568.45","0.12","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Isoleucyl-L-isoleucine dihydrate","","- C12 H28 N2 O5 -","- C12 H28 N2 O5 -","- C48 H112 N8 O20 -","4","1","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.0333","0.0294","","","0.0782","0.0795","","","","","","1.048","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102618","6.7765","0.0015","9.718","0.002","11.882","0.003","81.58","0.003","80.484","0.003","88.35","0.003","763.4","0.3","105","2","105","2","","","","","","","","4","P 1","P 1","1","","Ammonium L-Leucyl-L-Leucinate","","- C12 H27 N3 O3 -","- C12 H27 N3 O3 -","- C24 H54 N6 O6 -","2","2","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.083","0.0443","","","0.0928","0.108","","","","","","0.983","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102619","11.667","0.011","10.803","0.011","15.868","0.016","90","","108.2","0.09","90","","1900","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","catechol dinosylate","2-{[(4-nitrophenoxy)sulfonyl]oxy}phenyl 4-nitrophenyl sulfate","","- C18 H12 N2 O10 S2 -","- C18 H12 N2 O10 S2 -","- C72 H48 N8 O40 S8 -","4","0.5","DE5007","Munro, Orde Quentin; Mariah, Lynette","Conformational analysis: crystallographic, molecular mechanics and quantum chemical studies of C—H···O hydrogen bonding in the flexible bis(nosylate) derivative of catechol","Acta Crystallographica Section B","2004","60","5","598","608","10.1107/S0108768104019846","","","0.71073","MoKα","","0.0524","0.0458","","","0.1111","0.1157","","","","","","1.145","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102620","10.634","0.001","9.131","0.001","11.03","0.001","90","","108.076","0.002","90","","1018.14","0.17","150","5","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Br2 Cl6 N2 O2 Pt -","- C10 H14 Br2 Cl6 N2 O2 Pt -","- C20 H28 Br4 Cl12 N4 O4 Pt2 -","2","0.5","DE5008","Zordan, Fiorenzo; Brammer, Lee","Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates","Acta Crystallographica Section B","2004","60","5","512","519","10.1107/S0108768104016064","","","0.71073","MoKα","","0.0283","0.0235","","","0.0662","0.0688","","","","","","0.997","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102621","7.968","0.002","7.32","0.002","18.243","0.004","90","","100.3","0.004","90","","1046.9","0.5","150","5","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H14 Cl6 I2 N2 O2 Pt -","- C10 H14 Cl6 I2 N2 O2 Pt -","- C20 H28 Cl12 I4 N4 O4 Pt2 -","2","0.5","DE5008","Zordan, Fiorenzo; Brammer, Lee","Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates","Acta Crystallographica Section B","2004","60","5","512","519","10.1107/S0108768104016064","","","0.71073","MoKα","","0.0594","0.039","","","0.0892","0.0969","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102622","7.395","0.002","11.002","0.002","13.727","0.003","97.453","0.003","95.101","0.003","103.968","0.003","1066.2","0.4","150","5","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 Cl6 I2 N2 O2 Pt -","- C10 H14 Cl6 I2 N2 O2 Pt -","- C20 H28 Cl12 I4 N4 O4 Pt2 -","2","1","DE5008","Zordan, Fiorenzo; Brammer, Lee","Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates","Acta Crystallographica Section B","2004","60","5","512","519","10.1107/S0108768104016064","","","0.71073","MoKα","","0.0744","0.0589","","","0.1821","0.1935","","","","","","1.034","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102623","4.797","0.002","7.673","0.002","15.654","0.004","96.98","0.02","97.03","0.02","103.34","0.02","549.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Br I N2 O3 -","- C8 H6 Br I N2 O3 -","- C16 H12 Br2 I2 N4 O6 -","2","1","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0342","0.0313","","0.0984","0.0853","","","","","1.088","1.088","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102624","13.644","0.001","9.55","0.001","8.754","0.001","90","","121.31","0.02","90","","974.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C28 H20 N12 O24 -","4","0.5","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.048","0.0342","","0.1465","0.1232","","","","0.811","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102625","7.7","0.002","8.329","0.002","8.694","0.002","87.89","0.01","65.1","0.01","67.33","0.01","461.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C14 H10 N6 O12 -","2","1","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0419","0.0368","","0.1112","0.1059","","","","1.063","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102626","9.686","0.002","11.368","0.002","9.976","0.002","90","","98.74","0.02","90","","1085.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C36 H36 N12 O20 -","4","1","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0597","0.0511","","0.1651","0.1519","","","","1.057","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102627","10.43","0.002","9.991","0.002","9.574","0.002","90","","99.51","0.01","90","","984","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0816","0.0482","","0.1573","0.135","","","","1.045","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102628","12.239","0.002","10.582","0.002","13.582","0.003","90","","90","","90","","1759","0.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C14 H14 N6 O8 -","- C14 H14 N6 O8 -","- C56 H56 N24 O32 -","4","0.5","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0426","0.0368","","0.1193","0.1098","","","","1.146","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102629","10.0091","0.0016","10.0091","0.0016","22.467","0.006","90","","90","","90","","2250.8","0.8","293","2","293","2","","","","","","","Synthetic","4","I 41/a c d :2","-I 4bd 2c","142","Barium copper cyclosilicate","Barium copper cyclosilicate","Colinowensite","- Ba Cu O6 Si2 -","- Ba Cu O6 Si2 -","- Ba16 Cu16 O96 Si32 -","16","0.5","NA5017","Sparta, Karine M.; Roth, Georg","Reinvestigation of the structure of BaCuSi~2~O~6~ – evidence for a phase transition at high temperature","Acta Crystallographica Section B","2004","60","5","491","495","10.1107/S0108768104011644","","","0.71069","MoKα","","0.0592","0.0283","","","0.0414","0.0424","","","","","","1.261","","","","has coordinates","282068","2023-03-26","10:12:31",""
"2102630","7.1104","0.0013","7.1104","0.0013","11.175","0.003","90","","90","","90","","565","0.2","640","2","640","2","","","","","","","Synthetic","4","I 4/m m m","-I 4 2","139","Barium copper cyclosilicate","Barium copper cyclosilicate","","- Ba Cu O6 Si2 -","- Ba Cu O6 Si2 -","- Ba4 Cu4 O24 Si8 -","4","0.125","NA5017","Sparta, Karine M.; Roth, Georg","Reinvestigation of the structure of BaCuSi~2~O~6~ – evidence for a phase transition at high temperature","Acta Crystallographica Section B","2004","60","5","491","495","10.1107/S0108768104011644","","","0.71069","MoKα","","0.0217","0.0153","","","0.0249","0.0251","","","","","","1.023","","","","has coordinates","282068","2023-03-26","10:12:31",""
"2102631","25.169","0.003","15.018","0.003","19.429","0.004","90","","93.3","0.02","90","","7332","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","Ba@C74","endohedral Barium fullerene [74]","","- C122 H56 Ba Co N4 -","- C122 Ba Co N4 -","- C488 Ba4 Co4 N16 -","4","1","NA5020","Karen Friese; Martin Panthöfer; Guang Wu; Martin Jansen","?","Acta Crystallographica, Section B","2004","60","4","520","527","10.1107/S010876810401451X","","","0.643","synchrotron","","0.265","0.1309","","","0.1455","0.1862","","","","","","2.44","","","","has coordinates","192328","2020-10-21","18:00:00",""
"2102632","12.2832","0.0006","18.0705","0.0015","10.4767","0.0003","90","","90.106","0.003","90","","2325.4","0.2","300","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B2 Br6 F8 Fe N24 -","- C18 H30 B2 Br6 F8 Fe N24 -","- C36 H60 B4 Br12 F16 Fe2 N48 -","2","0.5","NA5021","Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.","Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data","Acta Crystallographica Section B","2004","60","5","528","538","10.1107/S0108768104015356","","","0.999995","synchrotron","","","","","","","","","","6.38","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102633","11.9297","0.0007","17.8169","0.0008","10.2874","0.0003","90","","89.992","0.002","90","","2186.59","0.17","300","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B2 Br6 F8 Fe N24 -","- C18 H30 B2 Br6 F8 Fe N24 -","- C36 H60 B4 Br12 F16 Fe2 N48 -","2","0.5","NA5021","Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.","Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data","Acta Crystallographica Section B","2004","60","5","528","538","10.1107/S0108768104015356","","","0.999995","synchrotron","","","","","","","","","","6.62","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102634","12.6425","0.00019","18.0349","0.0003","10.64881","0.00015","90","","90.308","0.0011","90","","2427.96","0.06","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B2 F8 Fe I6 N24 -","- C18 H30 B2 F8 Fe I6 N24 -","- C36 H60 B4 F16 Fe2 I12 N48 -","2","0.5","NA5021","Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.","Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data","Acta Crystallographica Section B","2004","60","5","528","538","10.1107/S0108768104015356","","","0.75003","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102635","12.3177","0.0003","17.6766","0.0004","10.4685","0.0003","90","","90.5991","0.0017","90","","2279.23","0.1","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B2 F8 Fe I6 N24 -","- C18 H30 B2 F8 Fe I6 N24 -","- C36 H60 B4 F16 Fe2 I12 N48 -","2","0.5","NA5021","Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.","Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data","Acta Crystallographica Section B","2004","60","5","528","538","10.1107/S0108768104015356","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102636","9.082","0.001","7.847","0.0007","15.197","0.0008","90","","96.842","0.005","90","","1075.32","0.16","122.4","0.5","122.4","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium tetraaqua dimethanol dihydrogen phthalate","Magnesium tetraaqua dimethanol dihydrogen phthalate","","- C18 H26 Mg O14 -","- C18 H26 Mg O14 -","- C36 H52 Mg2 O28 -","2","0.5","NS5001","Langkilde, A.; Madsen, D.; Larsen, S.","Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion","Acta Crystallographica Section B","2004","60","5","502","511","10.1107/S0108768104018051","","","0.71073","MoKα","","0.0711","0.0435","","","0.1187","0.1481","","","","","","1.228","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102637","23.289","0.005","10.279","0.003","15.298","0.002","90","","93.8","0.02","90","","3654.1","1.4","122.4","0.5","122.4","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylammonium hydrogen phtalate","Diethylammonium hydrogen phthalate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C144 H204 N12 O48 -","12","3","NS5001","Langkilde, A.; Madsen, D.; Larsen, S.","Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion","Acta Crystallographica Section B","2004","60","5","502","511","10.1107/S0108768104018051","","","1.5418","CuKα","","0.0494","0.0346","","","0.0854","0.094","","","","","","1.03","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102638","7.179","0.003","9.0034","0.0017","24.61","0.004","90","","98.76","0.02","90","","1572.1","0.8","122.4","0.5","122.4","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2'-pyridylamino)-pyridinium hydrogen phthalate","2-(2'-pyridylamino)-pyridinium hydrogen phthalate","","- C18 H15 N3 O4 -","- C18 H14 N3 O4 -","- C72 H56 N12 O16 -","4","1","NS5001","Langkilde, A.; Madsen, D.; Larsen, S.","Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion","Acta Crystallographica Section B","2004","60","5","502","511","10.1107/S0108768104018051","","","0.7107","MoKα","","0.0734","0.054","","","0.1373","0.149","","","","","","1.176","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102639","11.279","0.002","20.634","0.004","19.542","0.004","90","","90","","90","","4548","1.5","10","2","10","2","","","","","","","","3","P b 21 a","P -2a -2ab","29","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C176 H320 N32 -","16","4","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.0485","0.04","","","0.0956","0.1015","","","","","","1.068","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102640","11.366","0.002","20.654","0.005","19.723","0.004","90","","90","","90","","4630","1.7","100","2","100","2","","","","","","","","3","P b 21 a","P -2a -2ab","29","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C176 H320 N32 -","16","4","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.1001","0.0787","","","0.1994","0.2257","","","","","","1.155","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102641","11.356","0.002","20.637","0.004","9.85","0.002","90","","90","","90","","2308.4","0.8","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C88 H160 N16 -","8","1","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.0972","0.0634","","","0.1419","0.1616","","","","","","1.081","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102642","11.482","0.001","21.13","0.002","9.992","0.001","90","","90","","90","","2424.2","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C88 H160 N16 -","8","1","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.154","0.0897","","","0.2633","0.3347","","","","","","0.985","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102643","7.3837","0.0008","7.4622","0.0006","13.3949","0.0012","96.204","0.007","98.046","0.008","90.943","0.008","726.12","0.12","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- Cr2 K2 O7 -","- Cr2 K2 O7 -","- Cr8 K8 O28 -","4","2","BK0147","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Stephens, J. E.; Wiegel, R. D.; Mengis, M.; Bauer, M. R.; Wu, P.; Photinos, P.; Abrahams, S. C.","Phase transitions in K~2~Cr~2~O~7~ and structural redeterminations of phase II","Acta Crystallographica, Section B: Structural Science","2004","60","6","705","715","10.1107/s010876810402333x","","","0.71073","MoKα","","0.053","0.029","","0.081","","0.042","","","1.86","","","1.95","","","","has coordinates","210927","2020-10-21","18:00:00",""
"2102644","7.3807","0.0009","7.4593","0.0011","13.391","0.0016","96.205","0.011","98.033","0.01","90.914","0.012","725.37","0.16","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- Cr2 K2 O7 -","- Cr2 K2 O7 -","- Cr8 K8 O28 -","4","2","BK0147","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Stephens, J. E.; Wiegel, R. D.; Mengis, M.; Bauer, M. R.; Wu, P.; Photinos, P.; Abrahams, S. C.","Phase transitions in K~2~Cr~2~O~7~ and structural redeterminations of phase II","Acta Crystallographica, Section B: Structural Science","2004","60","6","705","715","10.1107/s010876810402333x","","","0.71073","MoKα","","0.036","0.025","","0.074","","0.04","","","1.58","","","1.74","","","","has coordinates","210927","2020-10-21","18:00:00",""
"2102645","26.645","0.006","7.6902","0.0014","5.7223","0.0008","90","","90","","90","","1172.5","0.4","293","2","293","2","","","","","","","","4","C c c 2","C 2 -2c","37","","Bis(4-bromophenyl) ether","","- C12 H8 Br2 O -","- C12 H8 Br2 O -","- C48 H32 Br8 O4 -","4","0.5","BM5012","Eriksson, Lars; Eriksson, Johan; Hu, Jiwei","Di-<i>p</i>-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data","Acta Crystallographica Section B","2004","60","6","734","738","10.1107/S0108768104023225","","","0.71073","MoKα","","0.1488","0.0629","","","0.1172","0.1482","","","","","","1.005","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102646","10.735","0.002","11.067","0.003","14.259","0.004","75.65","0.017","83.84","0.02","61.096","0.019","1436.6","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H62 N10 O8 P6 -","- C58 H62 N10 O8 P6 -","- C58 H62 N10 O8 P6 -","1","0.5","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus‒nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.0661","0.0551","","","0.1453","0.152","","","","","","1.069","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102647","9.871","0.002","29.741","0.006","11.838","0.002","90","","106.18","0.03","90","","3337.7","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 N10 O8 P6 -","- C22 H46 N10 O8 P6 -","- C88 H184 N40 O32 P24 -","4","1","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus‒nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.1409","0.0629","","","0.1246","0.1541","","","","","","0.964","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102648","11.0388","0.0002","30.2194","0.0005","17.8858","0.0004","90","","93.002","0.001","90","","5958.3","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H68 N10 P6 -","- C64 H68 N10 P6 -","- C256 H272 N40 P24 -","4","0.5","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus‒nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.0608","0.0419","","","0.1008","0.1095","","","","","","1.023","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102649","13.112","0.003","15.16","0.003","17.546","0.004","81.67","0.03","74.73","0.03","67.08","0.03","3095.5","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H70 N18 O P6 -","- C58 H70 N18 O P6 -","- C116 H140 N36 O2 P12 -","2","1","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus‒nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.221","0.0662","","","0.1213","0.1683","","","","","","0.934","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102650","30.586","0.01","9.66","0.002","18.449","0.005","90","","94.599","0.01","90","","5433","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 N18 P6 -","- C42 H54 N18 P6 -","- C168 H216 N72 P24 -","4","1","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus‒nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.2388","0.1174","","","0.2218","0.2772","","","","","","1.103","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102651","13.476","0.003","14.437","0.003","16.34","0.003","111.28","0.03","96.87","0.03","93.69","0.03","2921","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H102 N18 P6 -","- C42 H102 N18 P6 -","- C84 H204 N36 P12 -","2","1","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus‒nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.0652","0.0412","","","0.0999","0.1104","","","","","","1.021","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102652","4.9863","0.0002","4.9863","0.0002","13.2142","0.0007","90","","90","","120","","284.53","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102653","4.9106","0.0002","4.9106","0.0002","13.2286","0.0009","90","","90","","120","","276.26","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102654","4.8593","0.0002","4.8593","0.0002","13.2329","0.0009","90","","90","","120","","270.6","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102655","4.786","0.0003","4.786","0.0003","13.237","0.001","90","","90","","120","","262.58","0.03","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102656","4.7189","0.0002","4.7189","0.0002","13.219","0.001","90","","90","","120","","254.92","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102657","4.6639","0.0002","4.6639","0.0002","13.192","0.001","90","","90","","120","","248.51","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102658","4.6382","0.0002","4.6382","0.0002","13.172","0.001","90","","90","","120","","245.4","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102659","4.6265","0.0003","4.6265","0.0003","13.163","0.001","90","","90","","120","","244","0.03","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102660","8.248","0.001","19.679","0.003","10.581","0.001","90","","90","","90","","1717.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-2-hydroxy-cycloheptanecarboxamide","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C64 H120 N8 O16 -","8","1","DE5011","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Cs. Gyarmati, Zsuzsanna","Different forms of antiparallel stacking of hydrogen-bonded antidromic rings in the solid state: polymorphism with virtually the same unit cell and two-dimensional isostructurality with alternating layers","Acta Crystallographica Section B","2004","60","6","755","762","10.1107/S0108768104024553","","","0.71073","MOkα","","0.0894","0.0453","","","0.1298","0.1451","","","","","","0.846","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102661","12.1008","0.0008","3.0113","0.0002","10.41","0.0006","90","","92.258","0.004","90","","379.04","0.04","299","","299","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.808 Na0.807 O10 Ti1.192 -","- Ga9.616 Na1.614 O20 Ti2.384 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0367","0.028","","","0.0672","0.0685","","","","","","1.17","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102662","12.0848","0.0012","3.0101","0.0003","10.4014","0.0009","90","","92.187","0.005","90","","378.09","0.06","173","","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.81 Na0.811 O10 Ti1.19 -","- Ga9.62 Na1.622 O20 Ti2.38 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0399","0.0293","","","0.0658","0.0673","","","","","","1.06","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102663","12.0828","0.0009","3.0099","0.0003","10.4045","0.0007","90","","92.192","0.004","90","","378.11","0.05","123","","123","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.804 Na0.804 O10 Ti1.196 -","- Ga9.608 Na1.608 O20 Ti2.392 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0392","0.0282","","","0.0634","0.0651","","","","","","1.04","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102664","12.1008","0.0008","3.0113","0.0002","10.41","0.0006","90","","92.258","0.004","90","","379.04","0.04","299","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga9.6 Na1.6 O20 Ti2.4 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0367","0.028","","","0.0677","0.069","","","","","","1.18","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102665","12.1008","0.0008","3.0113","0.0002","10.41","0.0006","90","","92.258","0.004","90","","379.04","0.04","299","","299","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.806 Na0.81 O10 Ti1.194 -","- Ga9.612 Na1.62 O20 Ti2.388 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0367","0.028","","","0.0672","0.0685","","","","","","1.17","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102666","12.0848","0.0012","3.0101","0.0003","10.4014","0.0009","90","","92.187","0.005","90","","378.09","0.06","173","","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.808 Na0.808 O10 Ti1.192 -","- Ga9.616 Na1.616 O20 Ti2.384 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0402","0.0296","","","0.0662","0.0678","","","","","","1.07","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102667","12.0848","0.0012","3.0101","0.0003","10.4014","0.0009","90","","92.187","0.005","90","","378.09","0.06","173","","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.812 Na0.82 O10 Ti1.188 -","- Ga9.624 Na1.64 O20 Ti2.376 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0399","0.0293","","","0.0657","0.0673","","","","","","1.06","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102668","12.0828","0.0009","3.0099","0.0003","10.4045","0.0007","90","","92.192","0.004","90","","378.11","0.05","123","","123","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.802 Na0.802 O10 Ti1.198 -","- Ga9.604 Na1.604 O20 Ti2.396 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0395","0.0285","","","0.0642","0.0659","","","","","","1.05","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102669","12.0828","0.0009","3.0099","0.0003","10.4045","0.0007","90","","92.192","0.004","90","","378.11","0.05","123","","123","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.804 Na0.8 O10 Ti1.196 -","- Ga9.608 Na1.6 O20 Ti2.392 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0392","0.0282","","","0.0634","0.0651","","","","","","1.04","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102670","16.075","0.003","15.88","0.003","5.6008","0.0009","90","","90","","90","","1429.7","0.4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Lithium bis(oxalato)borate hydrate","Lithium bis(oxalato)borate hydrate","","- C4 H2 B Li O9 -","- C4 H2 B Li O9 -","- C32 H16 B8 Li8 O72 -","8","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0928","0.0597","","","0.0797","0.0889","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102671","7.6346","0.0008","22.631","0.002","14.9338","0.0016","90","","91.879","0.002","90","","2578.9","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Lithium bis(oxalato)borate acetonitrile","Lithium bis(oxalato)borate acetonitrile","","- C18 H15 B2 Li2 N5 O16 -","- C18 H15 B2 Li2 N5 O16 -","- C72 H60 B8 Li8 N20 O64 -","4","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0662","0.0423","","","0.0848","0.0896","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102672","16.3987","0.0016","7.6308","0.0007","10.9904","0.0011","90","","121.201","0.002","90","","1176.4","0.2","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lithium bis(oxalato)borate acetone","Lithium bis(oxalato)borate acetone","","- C8 H8 B Li O9.33 -","- C8.002 H8.004 B Li O9.334 -","- C32.008 H32.016 B4 Li4 O37.336 -","4","0.5","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0611","0.0466","","","0.1227","0.1293","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102673","8.669","0.0007","8.8519","0.0007","9.3328","0.0008","114.159","0.002","94.764","0.002","106.412","0.002","610.46","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Lithium bis(oxalato)borate dimethoxyethylene","Lithium bis(oxalato)borate dimethoxyethylene","","- C8 H10 B Li O10 -","- C8 H10 B Li O10 -","- C16 H20 B2 Li2 O20 -","2","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0388","0.0346","","","0.0935","0.0959","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102674","9.1327","0.0014","9.6378","0.0015","14.812","0.002","80.64","0.003","79.414","0.003","70.642","0.003","1201.8","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Lithium bis(oxalato)borate 1,3-dioxolane hydrate","Lithium bis(oxalato)borate 1,3-dioxolane hydrate","","- C17 H20 B2 Li2 O23 -","- C17 H20 B2 Li2 O23 -","- C34 H40 B4 Li4 O46 -","2","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.1069","0.0575","","","0.1011","0.1098","","","","","","0.891","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102675","10.2343","0.0005","10.2343","0.0005","10.8245","0.0007","90","","90","","90","","1133.77","0.11","110","2","110","2","","","","","","","","5","I -4","I -4","82","Lithium tetrakis-ethylenecarbonate bis(oxalato)borate","Lithium tetrakis-ethylenecarbonate bis(oxalato)borate","","- C16 H16 B Li O20 -","- C16 H16 B Li O20 -","- C32 H32 B2 Li2 O40 -","2","0.25","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0241","0.0239","","","0.0498","0.0499","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106792","9.9462","","9.9462","","7.1983","","90","","90","","120","","616.701","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb1.56 Ca2.44) (Pb3.06 Ca2.94) (V O4)6 F2","","- Ca5.38 F2 O24 Pb4.62 V6 -","- Ca5.38 F2 O24 Pb4.62 V6 -","- Ca5.38 F2 O24 Pb4.62 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. I. Disequilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","138","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","159187","2020-10-21","18:00:00",""
"2106793","10.0011","","10.0011","","7.1993","","90","","90","","120","","623.615","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb1.12 Ca2.88) (Pb3.78 Ca2.22) (V O4)6 (F0.6 O0.7)","","- Ca5.1 F0.6 O24.7 Pb4.9 V6 -","- Ca5.1 F0.6 O24.7 Pb4.9 V6 -","- Ca5.1 F0.6 O24.7 Pb4.9 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. I. Disequilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","138","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","159188","2020-10-21","18:00:00",""
"2106794","10.0025","","10.0025","","7.1858","","90","","90","","120","","622.62","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb0.64 Ca3.36) (Pb4.14 Ca1.86) (V O4)6 (F0.6 O0.7)","","- Ca5.22 F0.6 O24.7 Pb4.78 V6 -","- Ca5.22 F0.6 O24.7 Pb4.78 V6 -","- Ca5.22 F0.6 O24.7 Pb4.78 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. I. Disequilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","138","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","159189","2020-10-21","18:00:00",""
"2106795","9.737","","9.7358","","7.00572","","90","","90","","120.002","","575.137","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Ca10 (V O4)6 (F0.9 O0.05)2","","- Ca10 F1.8 O24.1 V6 -","- Ca10 F1.8 O24.1 V6 -","- Ca10 F1.8 O24.1 V6 -","1","0.25","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106796","9.7835","","9.7835","","7.0318","","90","","90","","120","","582.889","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb0.57 Ca9.43) (V O4)6 (F0.9 O0.05)2","","- Ca9.43 F1.8 O24.1 Pb0.57 V6 -","- Ca9.46 F1.8 O24.1 Pb0.54 V6 -","- Ca9.46 F1.8 O24.1 Pb0.54 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159191","2020-10-21","18:00:00",""
"2106797","9.8208","","9.8208","","7.0521","","90","","90","","120","","589.037","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb1.33 Ca8.67) (V O4)6 (F0.81 O0.095)2","","- Ca8.67 F1.62 O24.19 Pb1.33 V6 -","- Ca8.72 F1.62 O24.2 Pb1.28 V6 -","- Ca8.72 F1.62 O24.2 Pb1.28 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159192","2020-10-21","18:00:00",""
"2106798","9.9175","","9.9175","","7.1154","","90","","90","","120","","606.086","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb3.01 Ca6.99) (V O4)6 (F0.79 O0.105)2","","- Ca6.99 F1.58 O24.21 Pb3.01 V6 -","- Ca7 F1.58 O24.22 Pb3 V6 -","- Ca7 F1.58 O24.22 Pb3 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159193","2020-10-21","18:00:00",""
"2106799","9.9174","","9.9174","","7.1199","","90","","90","","120","","606.457","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb3.06 Ca6.94) (V O4)6 (F0.85 O0.075)2","","- Ca6.94 F1.7 O24.15 Pb3.06 V6 -","- Ca6.94 F1.7 O24.14 Pb3.06 V6 -","- Ca6.94 F1.7 O24.14 Pb3.06 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159194","2020-10-21","18:00:00",""
"2106800","9.8441","","9.8441","","7.0635","","90","","90","","120","","592.792","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb1.76 Ca8.24) (V O4)6 (F0.75 O0.125)2","","- Ca8.24 F1.5 O24.25 Pb1.76 V6 -","- Ca8.28 F1.5 O24.26 Pb1.72 V6 -","- Ca8.28 F1.5 O24.26 Pb1.72 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159195","2020-10-21","18:00:00",""
"2106801","9.9559","","9.9559","","7.1508","","90","","90","","120","","613.827","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb3.82 Ca6.18) (V O4)6 (F0.73 O0.135)2","","- Ca6.18 F1.46 O24.27 Pb3.82 V6 -","- Ca6.18 F1.46 O24.28 Pb3.82 V6 -","- Ca6.18 F1.46 O24.28 Pb3.82 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159196","2020-10-21","18:00:00",""
"2106802","9.9856","","9.9856","","7.1825","","90","","90","","120","","620.233","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb4.42 Ca5.58) (V O4)6 (F0.85 O0.075)2","","- Ca5.58 F1.7 O24.15 Pb4.42 V6 -","- Ca5.58 F1.7 O24.15 Pb4.42 V6 -","- Ca5.58 F1.7 O24.15 Pb4.42 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159197","2020-10-21","18:00:00",""
"2106803","10.0233","","10.0233","","7.241","","90","","90","","120","","630.015","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb5.55 Ca4.45) (V O4)6 (F0.68 O0.16)2","","- Ca4.45 F1.36 O24.32 Pb5.55 V6 -","- Ca4.44 F1.36 O24.32 Pb5.56 V6 -","- Ca4.44 F1.36 O24.32 Pb5.56 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159198","2020-10-21","18:00:00",""
"2106804","10.0531","","10.0531","","7.3033","","90","","90","","120","","639.219","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb7 Ca3) (V O4)6 (F0.53 O0.235)2","","- Ca3 F1.06 O24.47 Pb7 V6 -","- Ca3.04 F1.06 O24.46 Pb6.96 V6 -","- Ca3.04 F1.06 O24.46 Pb6.96 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159199","2020-10-21","18:00:00",""
"2203030","8.0057","0.0006","11.7864","0.0009","13.6991","0.0011","109.164","0.001","102.19","0.001","96.484","0.001","1169.98","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2'-p-Chlorobenzoyl-1',2, 2',3,4',5',6',6a'-octahydro-1H-indan-2-spiro-3'- (3'H-pyrrolizine)-1'-spiro-3""-1H-indoline-1, 2"",3-trione.","","- C29 H21 Cl N2 O4 -","- C29 H21 Cl N2 O4 -","- C58 H42 Cl2 N4 O8 -","2","1","AC6067","P. R. Seshadri; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan","2'-(<i>p</i>-Chlorobenzoyl)-2,2',3,3',4',5',6',6a'-octahydro-1<i>H</i>-indan-2-spiro-3'-(1<i>H</i>-pyrrolizine)-1'-spiro-3''-indoline-1,2'',3-trione","Acta Crystallographica Section E","2004","60","1","o126","o128","10.1107/S1600536803025170","","","0.71073","MoKα","","0.071","0.0509","","","0.1289","0.1437","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203031","15.98","0.002","5.9373","0.0006","11.795","0.001","90","","113.842","0.002","90","","1023.59","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","cis-Dichlorobis(N,N,N',N'-tetramethyl-1,2-diaminoethane)palladium(II)","","- C6 H16 Cl2 N2 Pd -","- C6 H16 Cl2 N2 Pd -","- C24 H64 Cl8 N8 Pd4 -","4","1","AC6071","Boyle, Robert C.; Mague, Joel T.; Fink, Mark J.","<i>cis</i>-Dichloro(<i>N,N,N</i>'<i>,N</i>'-tetramethyl-1,2-diaminoethane)palladium(II)","Acta Crystallographica Section E","2004","60","1","m40","m41","10.1107/S1600536803027739","","","0.71073","MoKα","","0.0271","0.0258","","","0.0601","0.0607","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203032","15.5111","0.0014","11.0313","0.0009","12.7192","0.0012","90","","90","","90","","2176.4","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetra-μ-chloro-chloro(N,N,N',N'-tetramethylethane-1,2-diamine)(1,1,3- trimethyl-2-imidazolium)dicopper(I)copper(II)","","- C12 H29 Cl5 Cu3 N4 -","- C12 H29 Cl5 Cu3 N4 -","- C48 H116 Cl20 Cu12 N16 -","4","1","AC6072","Butcher, Ray J.; George, C.; Purdy, Andrew P.","Tetra-μ-chloro-chloro(<i>N,N,N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)(1,1,3-trimethyl-2-imidazolium)dicopper(I)copper(II)","Acta Crystallographica Section E","2004","60","1","m102","m104","10.1107/S1600536803027752","","","0.71073","MoKα","","0.0434","0.0342","","","0.0726","0.0766","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203033","6.8962","0.001","8.8884","0.0011","9.8343","0.0013","91.449","0.011","91.639","0.011","92.858","0.011","601.59","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(Benzyloxy)phthalonitrile","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C30 H20 N4 O2 -","2","1","AC6073","Dinçer, Muharrem; Ağar, Ayşen; Akdemir, Nesuhi; Ağar, Erbil; Özdemir, Namık","4-(Benzyloxy)phthalonitrile","Acta Crystallographica Section E","2004","60","1","o79","o80","10.1107/S1600536803027764","","","0.71073","MoKα","","0.0627","0.0394","","","0.0998","0.1071","","","","","","0.958","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203034","11.235","0.006","4.038","0.005","17.057","0.008","90","","118.66","0.03","90","","679","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-bromo-5-hydroxybenzaldehyde","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C28 H20 Br4 O8 -","4","1","AC6074","Ramos Silva, Manuela; Paixão, Jose A.; Matos Beja, Ana; Sobral, Abilio J. F. N.; Rocha Gonsalves, A. M. d'A.","A new polymorph of 2-bromo-5-hydroxybenzaldehyde","Acta Crystallographica Section E","2004","60","1","o84","o85","10.1107/S1600536803028083","","","0.71073","MoKα","","0.0567","0.0302","","","0.0718","0.0825","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203035","7.1865","0.0011","14.609","0.002","16.197","0.002","90","","90","","90","","1700.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichloromethyl[1-(2-pyridyl)ethanone benzoylhydrazonato]tin(IV)","","- C15 H15 Cl2 N3 O Sn -","- C15 H15 Cl2 N3 O Sn -","- C60 H60 Cl8 N12 O4 Sn4 -","4","1","AC6075","Affan, M. A.; Shamsuddin, Mustaffa. B.; M. Sukeri M. Yusof; Yamin, Bohari. M.","Dichloromethyl[1-(2-pyridyl)ethanone benzoylhydrazonato]tin(IV)","Acta Crystallographica Section E","2004","60","1","m126","m128","10.1107/S1600536803028976","","","0.71073","MoKα","","0.021","0.02","","","0.052","0.052","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203036","6.699","0.001","9.4253","0.0015","16.492","0.003","106.227","0.002","91.189","0.002","105.43","0.002","958.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-p-toluenesulfonamide","","- C19 H24 B N O4 S -","- C19 H24 B N O4 S -","- C38 H48 B2 N2 O8 S2 -","2","1","AC6076","Steve A. Westcott; Xiao-Feng He; Christopher M. Vogels; Andreas Decken","A sulfanilamide derivative containing a boronate ester group","Acta Crystallographica Section E","2004","60","1","o115","o116","10.1107/S1600536803028885","","","0.71073","MoKα","","0.0417","0.0398","","","0.1008","0.1022","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203037","4.9412","0.001","5.7963","0.0012","18.362","0.004","96.94","0.03","94.82","0.03","97.91","0.03","514.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetraaqua[(3-carboxyphenoxy)acetato]nickel(II)","","- C18 H22 Ni O14 -","- C18 H22 Ni O14 -","- C18 H22 Ni O14 -","1","0.5","BR6128","Shan Gao; Jian-Rong Li; Ji-Wei Liu; Chang-Sheng Gu; Li-Hua Huo","Tetraaqua[(3-carboxyphenoxy)acetato]nickel(II)","Acta Crystallographica Section E","2004","60","1","m22","m23","10.1107/S1600536803027442","","","0.71073","MoKα","","0.0378","0.0337","","","0.0821","0.084","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203038","10.676","0.002","6.716","0.001","12.812","0.002","90","","103.77","0.01","90","","892.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetrasodium pentanickel arsenic-phosphorus (2.67/3.35) twentytwooxide","","- As2.64 Na4 Ni5 O22 P3.36 -","- As2.64 Na4 Ni5 O22 P3.36 -","- As5.28 Na8 Ni10 O44 P6.72 -","2","0.5","BR6129","Ben Smail, Ridha; Jouini, Tahar","Na~4~Ni~5~[(As~1{-~<i>x</i>}P~<i>x~</i>)O~4~]~2~[(As~2<i>y~</i>P~2{-~2<i>y</i>})O~7~]~2~ (<i>x</i> = 0.27 and <i>y</i> = 0.295)","Acta Crystallographica Section E","2004","60","1","i1","i2","10.1107/S1600536803027375","","","0.71073","MoKα","","0.0325","0.0241","","","0.0622","0.0652","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203039","16.8535","0.0007","14.8719","0.0006","26.0014","0.0011","90","","106.567","0.001","90","","6246.5","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Pentafluoropropionato){tris[2-(dimethylaminomethyl)phenyl]phosphine}silver(I)","","- C30 H36 Ag F5 N3 O2 P -","- C30 H36 Ag F5 N3 O2 P -","- C240 H288 Ag8 F40 N24 O16 P8 -","8","2","BR6130","Yingzhong Shen; Hans Pritzkow; Bernhard Walfort; Tobias Rüffer; Heinrich Lang","P(C~6~H~4~CH~2~NMe~2~-2)~3~-stabilized mononuclear pentafluoropropionatosilver(I)","Acta Crystallographica Section E","2004","60","1","m91","m93","10.1107/S1600536803028320","","","0.71073","MoKα","","0.046","0.033","","","0.0731","0.0804","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203040","20.352","0.003","6.607","0.0016","15.501","0.002","90","","105.58","0.012","90","","2007.8","0.6","122","2","122","2","","","","","","","","4","C 1 2 1","C 2y","5","Quininium (R,R)-tartrate hydrate","Quininium (R,R)-tartrate hydrate","","- C44 H56 N4 O11 -","- C44 H50 N4 O11 -","- C88 H100 N8 O22 -","2","0.5","BT6358","Ryttersgaard, Carsten; Larsen, Sine","Bis(quininium) (<i>R</i>,<i>R</i>)-tartrate monohydrate","Acta Crystallographica Section E","2004","60","1","o4","o5","10.1107/S1600536803026849","","","0.71073","MoKα","","0.0789","0.0567","","","0.1389","0.154","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203041","7.8394","0.0006","11.676","0.0009","11.8628","0.001","85.657","0.001","89.752","0.001","83.726","0.002","1076.22","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-N-methyl-Spiro-[2 -3'] oxindole-spiro-[3-2""] indan-1"",3""dione 4-[2""'- chlorophenyl] pyrrolidine","","- C26 H19 Cl N2 O3 -","- C26 H19 Cl N2 O3 -","- C52 H38 Cl2 N4 O6 -","2","1","BT6385","P. R. Seshadri; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan","4'-(3-Chlorophenyl)-1-methyl-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-indan-2,1'',3''-trione","Acta Crystallographica Section E","2004","60","1","o51","o53","10.1107/S1600536803027302","","","0.71073","MoKα","","0.0751","0.0556","","","0.1566","0.1715","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203042","27.347","0.003","15.4675","0.001","15.5745","0.0017","90","","119.093","0.007","90","","5756.7","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,5-Bis(4-methylphenylsulfanyl)phthalonitrile","","- C22 H16 N2 S2 -","- C22 H16 N2 S2 -","- C264 H192 N24 S24 -","12","1.5","BT6387","Ocak, Nazan; Çoruh, Ufuk; Akdemir, Nesuhi; Kantar, Cihan; Aǧar, Erbil; Erdönmez, Ahmet","4,5-Bis(4-methylphenylsulfanyl)phthalonitrile","Acta Crystallographica Section E","2004","60","1","o33","o34","10.1107/S1600536803026710","","","0.71073","MoKα","","0.1379","0.04","","","0.0473","0.0599","","","","","","0.733","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203043","16.89","0.003","42.101","0.008","17.393","0.004","90","","101.66","0.03","90","","12113","4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(hydroxonium) μ~12~-phosphato-tetracosa-μ~2~-oxo-dodecaoxododecatungsten hexakis(benzo-15-crown-5)‒methanol‒water (1/1/1)","","- C85 H135 O75 P W12 -","- C85 H124 O75 P W12 -","- C340 H496 O300 P4 W48 -","4","1","CF6294","Almeida Paz, Filipe A.; Sousa, Filipa L.; Soares-Santos, Paula C. R.; Cavaleiro, Ana M. V.; Nogueira, Helena I. S.; Klinowski, Jacek; Trindade, Tito","A novel supramolecular organic‒inorganic adduct containing α-Keggin-type [PW~12~O~40~]^3{-^} anions and benzo-15-crown-5 molecules","Acta Crystallographica Section E","2004","60","1","m1","m5","10.1107/S1600536803024310","","","0.71073","MoKα","","0.0553","0.0388","","","0.0779","0.0834","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203044","10.256","0.003","15.738","0.005","20.98","0.006","90","","90","","90","","3386.4","1.8","145","2","145","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Pt(ttp)Cl]ClO4","[Bis(3-diphenylphosphinopropyl)phenylphosphine-κ^3^P,P',P'']chloroplatinum(II) perchlorate","","- C36 H37 Cl2 O4 P3 Pt -","- C36 H37 Cl2 O4 P3 Pt -","- C144 H148 Cl8 O16 P12 Pt4 -","4","1","CF6302","Klint, Søren T.; Simonsen, Ole; Andreasen, Lars V.; Bond, Andrew D.; Wernberg, Ole","[Bis(3-diphenylphosphinopropyl)phenylphosphine-κ^3^<i>P,P</i>',<i>P</i>'']chloroplatinum(II) perchlorate","Acta Crystallographica Section E","2004","60","1","m17","m19","10.1107/S160053680302720X","","","1.5418","CuKα","","0.0929","0.0921","","","0.2198","0.2212","","","","","","1.134","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203045","15.0923","0.0011","8.051","0.0005","26.928","0.002","90","","97.535","0.008","90","","3243.7","0.4","295","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C144 H168 N8 O24 -","8","1","CF6303","Kaynak, F. Betül; Özbey, Süheyla; Uludağ, Nesimi; Patır, Süleyman","Ethyl (3-ethyl-1-oxo-1,2,3,4-tetrahydrocarbazol-2-yl)acetate","Acta Crystallographica Section E","2004","60","1","o120","o122","10.1107/S1600536803028721","","","0.71073","MoKα","","","0.0469","","","","0.1454","","","","","","0.994","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203046","14.693","0.003","6.0684","0.0012","15.266","0.003","90","","90.58","0.03","90","","1361.1","0.5","291","1","291","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","CF6306","Kolev, Tsonko; Berends, Thorsten; Preut, Hans; Spiteller, Michael","3-(4-Hydroxystyryl)-1,1-dimethylcyclohex-3-en-5-one","Acta Crystallographica Section E","2004","60","1","o31","o32","10.1107/S1600536803027211","","","0.71073","MoKα","","0.1759","0.032","","","0.0681","0.1078","","","","","","0.958","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203047","7.7363","0.0007","9.526","0.0008","11.8422","0.001","90","","96.134","0.002","90","","867.73","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Teuscordin","15-hydroxy-15,16-epoxy-6α-neo-cleroda-3,13(16),14-triene-18,19:20,12-diolide","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","1","CF6307","S. Soundarya Devi; R. Malathi; S. S. Rajan; S. Aravind; G. N. Krishnakumari; K. Ravikumar","A neo-clerodane diterpene from <i>Teucrium tomentosum</i>","Acta Crystallographica Section E","2004","60","1","o117","o119","10.1107/S1600536803028745","","","0.71073","MoKα","","0.0453","0.0414","","","0.1079","0.1113","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203048","4.922","0.001","5.755","0.001","18.432","0.004","94.13","0.03","91.95","0.03","96.13","0.03","517.32","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetraaquabis(4-carboxyphenoxyacetato)magnesium(II)","","- C18 H22 Mg O14 -","- C18 H22 Mg O14 -","- C18 H22 Mg O14 -","1","0.5","CF6309","Shan Gao; Jian-Rong Li; Li-Hua Huo; Ji-Wei Liu; Chang-Sheng Gu","Tetraaquabis(4-carboxyphenoxyacetato)magnesium(II)","Acta Crystallographica Section E","2004","60","1","m100","m101","10.1107/S1600536803028757","","","0.71073","MoKα","","0.0797","0.0538","","","0.1272","0.1393","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203049","5.2319","0.0001","16.2576","0.0003","9.6044","0.0001","90","","96.53","0.001","90","","811.63","0.02","183","2","183","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(N-Salicylidene-DL-glutamato)(2-methylimidazole)copper(II)","","- C16 H17 Cu N3 O5 -","- C16 H17 Cu N3 O5 -","- C32 H34 Cu2 N6 O10 -","2","1","CF6312","Vratislav Langer; Eva Scholtzová; Dalma Gyepesová; Mária Kohútová; Aladár Valent","(<i>N</i>-Salicylidene-<small>D</small>,<small>L</small>-glutamato)(2-methylimidazole)copper(II)","Acta Crystallographica Section E","2004","60","1","m129","m132","10.1107/S1600536803028769","","","0.71073","MoKα","","0.0575","0.0458","","","0.1016","0.108","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203050","6.3367","0.0008","6.8936","0.0009","9.1801","0.0012","99.396","0.002","105.286","0.002","108.178","0.002","354.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(pyridine-4-carboxylato)cobalt(II) dihydrate","","- C12 H16 Co N2 O8 -","- C12 H16 Co N2 O8 -","- C12 H16 Co N2 O8 -","1","0.5","CF6313","Ze-Qun Yan","<i>trans</i>-Diaquabis(pyridine-4-carboxylato)cobalt(II) dihydrate","Acta Crystallographica Section E","2004","60","1","m116","m117","10.1107/S160053680302885X","","","0.71073","MoKα","","0.0499","0.0436","","","0.1084","0.1139","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203051","6.922","0.0008","10.131","0.0012","10.963","0.0013","76.013","0.002","74.869","0.002","85.318","0.002","720","0.15","93","2","93","2","","","","","","","","7","P -1","-P 1","2","Cadmium ferron tetrahydrate","Diaqua(μ-8-hydroxy-7-iodoquinoline-5-sulfonato)cadmium(II) dihydrate","","- C9 H12 Cd I N O8 S -","- C9 H11 Cd I N O8 S -","- C18 H22 Cd2 I2 N2 O16 S2 -","2","1","CI6309","Savarimuthu Francis; Packianathan Thomas Muthiah; Ray J. Butcher","A supramolecular ladder in diaqua(μ-8-hydroxy-7-iodoquinoline-5-sulfonato-κ^4^<i>N,O,O</i>',<i>O</i>'')cadmium(II) dihydrate","Acta Crystallographica Section E","2004","60","1","m62","m64","10.1107/S1600536803027818","","","0.71073","MoKα","","0.0658","0.0551","","","0.1541","0.1611","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203052","16.387","0.0016","9.5645","0.0012","11.3393","0.0019","90","","82.044","0.01","90","","1760.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 7-oxo-3-(pyrrolidin-1-yl)cycloocta-2,8-diene-1,2-dicarboxylate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","CI6310","Tuncer Hökelek; Ayşe Uzgören; Yavuz Ergün; Nazan Tunoğlu; Gürol Okay","Diethyl 7-oxo-3-(pyrrolidin-1-yl)cycloocta-2,8-diene-1,2-dicarboxylate","Acta Crystallographica Section E","2004","60","1","o48","o50","10.1107/S1600536803027132","","","0.71073","MoKα","","0.0864","0.0418","","","0.0985","0.1166","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203053","5.882","0.002","12.187","0.005","24.553","0.01","90","","90","","90","","1760.1","1.2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-tert-Butyl-4-methyl-6-(1-piperidiniomethyl)phenol chloride","","- C17 H28 Cl N O -","- C17 H28 Cl N O -","- C68 H112 Cl4 N4 O4 -","4","1","CI6311","Miao Du; Xiao-Jun Zhao; Ying Wang","2-<i>tert</i>-Butyl-4-methyl-6-(1-piperidiniomethyl)phenol chloride","Acta Crystallographica Section E","2004","60","1","o37","o39","10.1107/S1600536803027314","","","0.71073","MoKα","","0.0706","0.0441","","","0.0949","0.1048","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203054","11.951","0.004","7.639","0.002","11.507","0.004","90","","110.711","0.004","90","","982.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 Co N O7 S -","- C5 H11 Co N O7 S -","- C20 H44 Co4 N4 O28 S4 -","4","1","CI6312","Yu-Xia Zhang","A one-dimensional coordination polymer: <i>catena</i>-poly[[triaquapyridinecobalt(II)]-μ-sulfato]","Acta Crystallographica Section E","2004","60","1","m30","m31","10.1107/S1600536803027545","","","0.71073","MoKα","","0.0301","0.0225","","","0.0507","0.0531","","","","","","1.035","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203055","9.473","0.001","10.694","0.001","17.9","0.002","79.413","0.002","86.879","0.003","64.923","0.002","1613.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis[(2,2'-bipyridine-κ^2^N,N')manganese(II)]-di-μ-4- hydroxyisophthalato]","","- C36 H24 Mn2 N4 O10 -","- C36 H24 Mn2 N4 O10 -","- C72 H48 Mn4 N8 O20 -","2","1","CI6313","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","<i>catena</i>-Poly[bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')manganese(II)]-di-μ-4-hydroxyisophthalato]","Acta Crystallographica Section E","2004","60","1","m50","m52","10.1107/S1600536803027685","","","0.71073","MoKα","","0.054","0.039","","","0.108","0.118","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203056","10.8119","0.0007","12.1443","0.0008","12.2344","0.0008","63.679","0.001","68.124","0.001","79.095","0.001","1335.63","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","μ-Oxo-bis{diethoxy[salicylaldoximato(2-)]niobium(V)}","","- C22 H30 N2 Nb2 O9 -","- C22 H30 N2 Nb2 O9 -","- C44 H60 N4 Nb4 O18 -","2","1","CI6314","Amini, Mostafa M.; Mirzaee, Mehdi; Ng, Seik Weng","μ-Oxo-bis{diethoxy[salicylaldoximato(2‒)]niobium(V)}","Acta Crystallographica Section E","2004","60","1","m53","m55","10.1107/S1600536803027673","","","0.71073","MoKα","","0.025","0.021","","","0.05","0.06","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203057","12.0073","0.0011","8.453","0.0009","15.0167","0.0015","90","","94.188","0.008","90","","1520.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Hydroxy-N'-(1-naphthyl)-2-phenylacetamidin-2-one","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","CI6316","Hökelek, Tuncer; Büyükgüngör, Orhan; Taş, Murat; Batı, Hümeyra","<i>N</i>-Hydroxy-<i>N</i>'-(1-naphthyl)-2-phenylacetamidin-2-one","Acta Crystallographica Section E","2004","60","1","o109","o111","10.1107/S1600536803028617","","","0.71073","MoKα","","0.1023","0.0397","","","0.0759","0.0884","","","","","","0.864","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203058","8.2395","0.0006","9.4931","0.0007","11.9704","0.0009","98.313","0.002","94.589","0.002","106.191","0.003","882.56","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl3 Co N2 -","- C18 H15 Cl3 Co N2 -","- C36 H30 Cl6 Co2 N4 -","2","1","CV6252","Tian-Tian Pan; Duan-Jun Xu","Quinolinium trichloro(quinoline-κ<i>N</i>)cobaltate(II)","Acta Crystallographica Section E","2004","60","1","m56","m58","10.1107/S1600536803028149","","","0.71073","MoKα","","0.038","0.032","","","0.076","0.079","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203059","10.29","0.002","16.117","0.003","17.173","0.003","90","","105.47","0.03","90","","2744.9","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{2,6-Bis[(diphenylphosphino)methyl]phenyl}chloroplatinum(II)","","- C32 H27 Cl P2 Pt -","- C32 H27 Cl P2 Pt -","- C128 H108 Cl4 P8 Pt4 -","4","1","CV6253","Steffen Fischer; Ola F. Wendt","{2,6-Bis[(diphenylphosphino)methyl]phenyl}chloroplatinum(II)","Acta Crystallographica Section E","2004","60","1","m69","m70","10.1107/S1600536803028162","","","0.71073","MoKα","","0.0573","0.0267","","","0.0403","0.0409","","","","","","0.911","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203060","12.489","0.001","20.4936","0.0016","8.4365","0.0006","90","","122.191","0.001","90","","1827.3","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 N4 Ni O7 -","- C12 H26 N4 Ni O7 -","- C48 H104 N16 Ni4 O28 -","4","0.5","CV6254","Shiu, Kom-Bei; Yen, Chia-Hung; Liao, Fen-Ling; Wang, Sue-Lein","<i>cis</i>-Diaquabis(ethylenediamine)nickel(II) benzene-1,4-dicarboxylate monohydrate","Acta Crystallographica Section E","2004","60","1","m121","m122","10.1107/S1600536803028988","","","0.71073","MoKα","","0.0366","0.033","","","0.0955","0.0973","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203061","7.1736","0.0007","8.7391","0.0009","21.301","0.002","90","","90","","90","","1335.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Furodysinin lactone","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","CV6255","K. Ravikumar; S. Selvanayagam; T. Venkateshwar Goud; P. Krishnaiah; Y. Venkateswarlu","A furodysinin lactone derivative from the marine sponge <i>Dysidea fragilis</i>","Acta Crystallographica Section E","2004","60","1","o139","o141","10.1107/S1600536803029143","","","0.71073","MoKα","","0.0424","0.0397","","","0.1022","0.1041","","","","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203062","14.6497","0.0014","5.6976","0.0003","21.965","0.002","90","","109.095","0.007","90","","1732.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[2-Hydroxyimino-2-(3-methyl-3-phenylcyclobutyl)ethyl]isoindole-1,3-dione","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","DN6109","Özdemir, Namık; Dinçer, Muharrem; Yılmaz, İbrahim; Çukurovalı, Alaaddin","2-[2-Hydroxyimino-2-(3-methyl-3-phenylcyclobutyl)ethyl]isoindole-1,3-dione","Acta Crystallographica Section E","2004","60","1","o145","o147","10.1107/S1600536803029246","","","0.71073","MoKα","","0.0957","0.0545","","","0.1239","0.1337","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203063","10.093","0.003","7.123","0.002","12.27","0.003","90","","110.4","0.01","90","","826.8","0.4","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Methoxy-2-phenylacetic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","FL6069","Hartung, Jens; Špehar, Kristina; Svoboda, Ingrid; Fuess, Hartmut","2-Methoxy-2-phenylacetic acid","Acta Crystallographica Section E","2004","60","1","o95","o96","10.1107/S1600536803028228","","","0.71073","MoKα","","0.1055","0.0552","","","0.1369","0.1743","","","","","","0.883","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203064","7.2608","0.0002","5.0643","0.0002","19.9397","0.0006","90","","92.89","0.01","90","","732.27","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl (R*,S*)-2-(2'-methylenecyclopropyl)hydroxyacetate","","- C7 H10 O3 -","- C7 H10 O3 -","- C28 H40 O12 -","4","1","FL6071","Yufit, Dmitrii S.; Bagutski, Viktor; Howard, Judith A.K.; de Meijere, Armin","(<i>R</i>*,<i>S</i>*)-Methyl 2-(2'-methylenecyclopropyl)hydroxyacetate","Acta Crystallographica Section E","2004","60","1","o40","o42","10.1107/S1600536803027430","","","0.71073","MoKα","","0.0374","0.0346","","","0.0999","0.1035","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203065","12.523","0.003","14.768","0.003","17.601","0.004","90","","96.35","0.03","90","","3235.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triaqua-1κO,2κO,3κO-hexakis-μ-monochloroacetato- 1:2κ^4^O:O';2:3κ^4^O:O';1:3κ^4^O:O'-μ~3~-oxo-triiron(III) nitrate trihydrate","","- C12 H24 Cl6 Fe3 N O22 -","- C12 H24 Cl6 Fe3 N O22 -","- C48 H96 Cl24 Fe12 N4 O88 -","4","1","HB6001","Ren, X. M.; Okudera, H.; Kremer, R. K.","Triaqua-1κ<i>O</i>,2κ<i>O</i>,3κ<i>O</i>-hexakis-μ-chloroacetato-1:2κ^4^<i>O</i>:<i>O</i>';2:3κ^4^<i>O</i>:<i>O</i>';1:3κ^4^<i>O</i>:<i>O</i>'-μ~3~-oxo-triiron(III) nitrate trihydrate","Acta Crystallographica Section E","2004","60","1","m14","m16","10.1107/S1600536803026400","","","0.71073","MoKα","","0.045","0.035","","","0.096","0.099","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203066","19.003","0.004","6.7188","0.0013","9.2156","0.0018","90","","99.37","0.03","90","","1160.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","[2-A-4,6-DMPyH]CuI2","(2-Amino-4,6-dimethylpyridinium)diiodocopper(I)","","- C7 H11 Cu I2 N2 -","- C7 H11 Cu I2 N2 -","- C28 H44 Cu4 I8 N8 -","4","0.5","HB6003","Haddad, Salim F.; AlDamen, Murad A.; Willett, Roger D.; Twamley, Brendan","A copper(I) iodide chain with the 2-amino-4,6-dimethylpyridine cation","Acta Crystallographica Section E","2004","60","1","m76","m78","10.1107/S1600536803027715","","","0.71073","MoKα","","0.0305","0.028","","","0.0729","0.075","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203067","21.682","0.003","10.3815","0.0019","15.177","0.004","90","","120.03","0.03","90","","2957.6","1.4","293","2","","","","","","","","","","6","C 1 2 1","C 2y","5","","Tetra-μ-alpha-isoleucine-bis[tetraaquasamarium(III)] hexaperchlorate","","- C24 H68 Cl6 N4 O40 Sm2 -","- C24 H52 Cl5.998 N4 O39.992 Sm2 -","- C48 H104 Cl11.996 N8 O79.984 Sm4 -","2","0.5","HB6004","Jinping Wang; Chunji Niu; Ninghai Hu; Jiazuan Ni","Tetra-μ-<small>L</small>-isoleucine-bis[tetraaquasamarium(III)] hexaperchlorate","Acta Crystallographica Section E","2004","60","1","m32","m34","10.1107/S1600536803027557","","","0.71073","MoKα","","0.0571","0.052","","","0.1354","0.1392","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2203068","20.0943","0.0018","7.609","0.0006","12.1268","0.001","90","","121.708","0.003","90","","1577.4","0.2","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Diaquabis[2-(hydroxymethyl)pyridine]nickel(II) dichloride","","- C12 H18 Cl2 N2 Ni O4 -","- C12 H18 Cl2 N2 Ni O4 -","- C48 H72 Cl8 N8 Ni4 O16 -","4","0.5","HB6005","Hamamci, S.; Yilmaz, Veysel T.; Thöne, Carsten","<i>cis</i>-Diaquabis[2-(hydroxymethyl)pyridine]nickel(II) dichloride","Acta Crystallographica Section E","2004","60","1","m6","m8","10.1107/S1600536803026862","","","0.71073","MoKα","","0.0208","0.0193","","","0.0542","0.0549","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203069","16.596","0.001","16.596","0.001","11.996","0.002","90","","90","","90","","3304","0.6","293","2","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Bis(μ-1,2,4-triazole-κ^2^N^1^:N^2^)bis[aqua(oxalato-κ^2^O,O')copper(II)]","","- C8 H14 Cu2 N6 O12 -","- C8 H14 Cu2 N6 O12 -","- C64 H112 Cu16 N48 O96 -","8","0.25","HB6006","Castillo, Oscar; García-Couceiro, Urko; Luque, Antonio; García-Terán, Juan P.; Román, Pascual","Bis(μ-1,2,4-triazole-κ^2^<i>N</i>^1^:<i>N</i>^2^)bis[diaqua(oxalato-κ^2^<i>O,O</i>')copper(II)]","Acta Crystallographica Section E","2004","60","1","m9","m11","10.1107/S1600536803027119","","","0.71073","MoKα","","0.1029","0.0408","","","0.0993","0.1156","","","","","","0.977","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203070","17.1047","0.0011","16.8652","0.0011","18.9828","0.0012","90","","90","","90","","5476","0.6","130","0.2","130","0.2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H51 B F24 N2 Si2 -","- C46 H51 B F24 N2 Si2 -","- C184 H204 B4 F96 N8 Si8 -","4","0.5","HG6001","Kathryn Hassall; Jonathan White","Dimethyl(2-trimethylsilylethyl)[(2-trimethylsilylethyl)dimethylammonio]ammonium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate at 130K","Acta Crystallographica Section E","2004","60","1","o107","o108","10.1107/S1600536803025455","","","0.71073","MoKα","","0.0577","0.0464","","","0.1196","0.1261","","","","","","1.041","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203071","12.3829","0.0003","12.8139","0.0002","13.2413","0.0003","68.0725","0.0009","89.2421","0.0009","65.829","0.001","1753.78","0.07","291","1","291","1","","","","","","","","3","P -1","-P 1","2","","Ethyl rac-(1R,11S,12R)-12-hydroxy-15-oxobicyclo[9.3.1]pentadecane-1-carboxylate","","- C18 H30 O4 -","- C18 H30 O4 -","- C72 H120 O16 -","4","2","HG6009","Fresu, Sonia; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","<i>rac</i>-(1<i>R</i>,11<i>S</i>,12<i>R</i>)-Ethyl 12-hydroxy-15-oxobicyclo[9.3.1]pentadecane-1-carboxylate","Acta Crystallographica Section E","2004","60","1","o22","o24","10.1107/S160053680302717X","","","0.71073","MoKα","","0.1879","0.0435","","","0.0769","0.0918","","","","","","0.861","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203072","20.736","0.004","8.4331","0.0017","14.106","0.003","90","","90.971","0.003","90","","2466.3","0.9","130","2","130","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C96 H104 N8 O32 S8 -","8","1","HG6012","Laura Andrau; Jonathan White","Low-temperature 4-thiacyclohexyl <i>m</i>-nitrobenzoate","Acta Crystallographica Section E","2004","60","1","o134","o136","10.1107/S1600536803029040","","","0.71073","MoKα","","0.0573","0.0474","","","0.1265","0.1322","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203073","9.688","0.002","9.331","0.002","12.034","0.002","90","","102.04","0.03","90","","1063.9","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuBr~2~(C~12~H~8~N~2~)~2~]","Trans-dibromobis(phenazine)copper(II)","","- C24 H16 Br2 Cu N4 -","- C24 H16 Br2 Cu N4 -","- C48 H32 Br4 Cu2 N8 -","2","0.5","HG6013","Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria; Sadowska, Maja","<i>trans</i>-Dibromobis(phenazine)copper(II)","Acta Crystallographica Section E","2004","60","1","m73","m75","10.1107/S1600536803027703","","","0.71073","MoKα","","0.0372","0.0307","","","0.0736","0.0771","","","","","","1.121","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203074","9.1755","0.0009","9.4488","0.0007","19.7807","0.0018","90","","90","","90","","1714.9","0.3","293","2","293","2","","","","","","","","4","P 21 n b","P -2bc 2a","33","","1-Methyl-1-phenyl-3-(phthalimidoacetyl)cyclobutane","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","LH6137","Özdemir, Namık; Dinçer, Muharrem; Yılmaz, İbrahim; Çukurovalı, Alaaddin","1-Methyl-1-phenyl-3-(phthalimidoacetyl)cyclobutane","Acta Crystallographica Section E","2004","60","1","o14","o16","10.1107/S1600536803026497","","","0.71073","MoKα","","0.0448","0.0325","","","0.0647","0.0672","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203075","21.345","0.004","5.387","0.001","11.787","0.002","90","","90.48","0.01","90","","1355.3","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 Ni O S -","- C13 H14 N4 Ni O S -","- C52 H56 N16 Ni4 O4 S4 -","4","1","LH6143","Valdés Martínez, Jesús; Hernández-Ortega, Simón; Bautista Jimenez, Victor","Hydrogen bonding in coordinated thiosemicarbazones: ammine[2-hydroxy-1-naphthaldehyde 4-methylthiosemicarbazonato]nickel(II)","Acta Crystallographica Section E","2004","60","1","m42","m44","10.1107/S1600536803027971","","","0.71073","MoKα","","0.0511","0.0344","","","0.076","0.0804","","","","","","0.896","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203076","24.975","0.002","9.714","0.001","6.5213","0.0004","90","","95.327","0.001","90","","1575.3","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Diaqua(diethylenetriamine-κ^3^N)(perchlorato-κO)copper(II) hydrogenmaleate","","- C8 H20 Cl Cu N3 O10 -","- C8 H20 Cl Cu N3 O10 -","- C32 H80 Cl4 Cu4 N12 O40 -","4","0.5","LH6145","Valdés-Martínez, Jesús; Toscano, Rubén A.; Del Río-Ramírez, Marisa","Diaqua(diethylenetriamine-κ^3^<i>N</i>)(perchlorato-κ<i>O</i>)copper(II) hydrogenmaleate","Acta Crystallographica Section E","2004","60","1","m45","m47","10.1107/S160053680302779X","","","0.71073","MoKα","","0.048","0.0429","","","0.111","0.1147","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203077","13.827","0.006","29.9","0.014","4.244","0.002","90","","90","","90","","1754.6","1.4","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","LH6146","Dachriyanus; Rizal Fahmi; Sargent, Melvyn V.; Skelton, Brian W.; White, Allan H.","5-Hydroxy-3,3',4',5',7-pentamethoxyflavone (combretol)","Acta Crystallographica Section E","2004","60","1","o86","o88","10.1107/S1600536803027880","","","0.71073","MoKα","","0.106","0.053","","0.072","","0.059","","","1.062","","","1.136","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203078","11.9275","0.0006","13.8407","0.0008","8.4595","0.0003","90","","99.192","0.003","90","","1378.6","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2-(4-nitrophenyl)malonate","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","1","LH6149","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Diethyl 2-(4-nitrophenyl)malonate forms a hydrogen-bonded chain of rings","Acta Crystallographica Section E","2004","60","1","o60","o62","10.1107/S1600536803027478","","","0.71073","MoKα","","0.0923","0.0479","","","0.1078","0.1254","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203079","13.403","0.002","15.5692","0.001","17.235","0.002","90","","90","","90","","3596.5","0.7","93","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H38 O6 -","- C46 H38 O6 -","- C184 H152 O24 -","4","1","LH6152","Kawanami, Toshio; Ishizuka, Kentaro; Furuno, Hiroshi; Inanaga, Junji","Unique hydrogen bonding in the acetone-mediated helical structure of (<i>R</i>,<i>R</i>)-3,3'-bisBINOL","Acta Crystallographica Section E","2004","60","1","o97","o98","10.1107/S1600536803028538","","","0.7107","MoKα","","0.0396","0.0369","","","0.0884","0.0996","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203080","9.8563","0.0014","11.3662","0.0015","32.868","0.003","90","","91.124","0.013","90","","3681.5","0.8","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 As O2 Si2 -","- C42 H35 As O2 Si2 -","- C168 H140 As4 O8 Si8 -","4","1","LH6153","Ferguson, George; O'Leary, Brian J.; Spalding, Trevor R.","Bis(triphenylsilyl)phenylarsenite, PhAs(OSiPh~3~)~2~","Acta Crystallographica Section E","2004","60","1","m118","m120","10.1107/S1600536803028447","","","0.71073","MoKα","","0.2156","0.0604","","","0.1493","0.1852","","","","","","0.878","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203081","9.449","0.0019","11.291","0.002","13.637","0.003","111.7","0.03","94.33","0.03","90.97","0.03","1346.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cl2 N6 O2 Zn -","- C28 H22 Cl2 N6 O2 Zn -","- C56 H44 Cl4 N12 O4 Zn2 -","2","1","NA6269","Fangfang Jian; Hailian Xiao; Pingping Sun","Bis(1-acetophenone-1<i>H</i>-benzotriazole-κ<i>N</i>^3^)dichlorozinc(II)","Acta Crystallographica Section E","2004","60","1","m38","m39","10.1107/S1600536803027570","","","0.71073","MoKα","","0.1188","0.0453","","","0.0918","0.1096","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203082","10.8456","0.0006","14.1502","0.0008","15.2068","0.0009","90","","92.053","0.001","90","","2332.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Cholorophenyl)-1H-indan-2-spiro-2'-pyrrolizidine-3'-spiro-3''- 1H-indole-1,3,2''(2H,3''H)-trione","","- C28 H21 Cl N2 O3 -","- C28 H21 Cl N2 O3 -","- C112 H84 Cl4 N8 O12 -","4","1","NA6271","M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R.Raghunathan","1-(2-Chlorophenyl)-1<i>H</i>-indan-2-spiro-2'-pyrrolizidine-3'-spiro-3''-1<i>H</i>-indole-1,3,2''(2<i>H</i>,3''<i>H</i>)-trione","Acta Crystallographica Section E","2004","60","1","o54","o56","10.1107/S1600536803027284","","","0.71073","MoKα","","0.0799","0.0581","","","0.1621","0.1783","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203083","11.5085","0.0009","9.5986","0.0008","23.0306","0.0018","90","","91.232","0.001","90","","2543.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-acenaphthylene-1-spiro-3'-pyrrolizidine-2'-spiro-3''- 1H-indole-2,2''(1H,3''H)-dione","","- C32 H23 Cl N2 O3 -","- C32 H23 Cl N2 O3 -","- C128 H92 Cl4 N8 O12 -","4","1","NA6272","M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan","1-Benzoylacenaphthylene-1-spiro-3'-pyrrolizidine-2'-spiro-3''-1<i>H</i>-indole-2,2''(1<i>H</i>,3''<i>H</i>)-dione","Acta Crystallographica Section E","2004","60","1","o57","o59","10.1107/S1600536803027296","","","0.71073","MoKα","","0.0679","0.0513","","","0.1451","0.1599","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203084","7.836","0.003","7.8011","0.0014","17.923","0.007","90","","95.48","0.03","90","","1090.6","0.6","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-pinoresinol‒dioxane (1/1)","","- C24 H30 O8 -","- C24 H30 O8 -","- C48 H60 O16 -","2","1","NA6275","Stomberg, Rolf; Langer, Vratislav; Lundquist, Knut","A second polymorph of (+)-pinoresinol‒dioxane (1/1)","Acta Crystallographica Section E","2004","60","1","o81","o83","10.1107/S1600536803027806","","","0.71069","MoKα","","0.0741","0.0426","","","0.1254","0.1772","","","","","","1.169","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203085","9.6583","0.0004","12.0849","0.0005","14.9557","0.0007","90","","101.47","0.001","90","","1710.76","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl4 N2 Zn -","- C10 H24 Cl4 N2 Zn -","- C40 H96 Cl16 N8 Zn4 -","4","1","NA6277","Fowkes, Adrian; Harrison, William T. A.","Bis(piperidinium) tetrachlorozincate","Acta Crystallographica Section E","2004","60","1","m59","m61","10.1107/S1600536803027661","","","0.71073","MoKα","","0.049","0.0298","","","0.0664","0.0719","","","","","","0.965","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203086","11.9569","0.0011","12.0716","0.0017","12.1417","0.0017","104.944","0.012","105.414","0.01","116.683","0.01","1357.1","0.4","152","2","152","2","","","","","","","","6","P -1","-P 1","2","","diaqua(1,5-cyclooctadiene)rhodium(I) triflate","","- C9 H16 F3 O5 Rh S -","- C9 H16 F3 O5 Rh S -","- C36 H64 F12 O20 Rh4 S4 -","4","2","NA6278","Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Low-temperature phase of diaqua(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2004","60","1","m85","m87","10.1107/S160053680302823X","","","0.71073","MoKα","","0.059","0.0552","","","0.1345","0.1402","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203087","17.209","0.0017","8.9038","0.0006","19.9334","0.0019","90","","99.084","0.008","90","","3016","0.5","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[N-(p-Hydroxyphenyl)aminomethylidene]naphthalen-2(1H)-one‒propan-1-ol (2/1)","","- C37 H34 N2 O5 -","- C37 H34 N2 O5 -","- C148 H136 N8 O20 -","4","1","NA6281","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan","1-[<i>N</i>-(<i>p</i>-Hydroxyphenyl)aminomethylidene]naphthalen-2(1<i>H</i>)-one propan-1-ol hemisolvate","Acta Crystallographica Section E","2004","60","1","o142","o144","10.1107/S1600536803029222","","","0.71073","MoKα","","0.0922","0.0471","","","0.1207","0.1362","","","","","","0.877","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203088","10.1324","0.0007","11.3356","0.0008","12.2","0.0009","104.041","0.001","95.208","0.001","110.685","0.001","1247.48","0.15","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(1,10-phenanthroline)chlorocopper(II)] benzene-1,2,4,5-tetracarboxylate(2-) dihydrate","","- C58 H40 Cl2 Cu2 N8 O10 -","- C58 H40 Cl2 Cu2 N8 O10 -","- C58 H40 Cl2 Cu2 N8 O10 -","1","0.5","NG6004","Hong-Ping Xiao; Mao-Lin Hu; Xin-Hua Li","Bis[bis(1,10-phenanthroline)chlorocopper(II)] benzene-1,2,4,5-tetracarboxylate(2‒) dihydrate","Acta Crystallographica Section E","2004","60","1","m71","m72","10.1107/S1600536803028101","","","0.71073","MoKα","","0.0353","0.0323","","","0.0896","0.0913","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203089","10.03","0.002","12.078","0.002","12.858","0.003","62.13","0.03","84.36","0.03","73.23","0.03","1317.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[aquachlorobis(1,10-phenanthroline)manganese(II)] benzene-1,4-dioxyacetate dihydrate","","- C58 H48 Cl2 Mn2 N8 O10 -","- C58 H48 Cl2 Mn2 N8 O10 -","- C58 H48 Cl2 Mn2 N8 O10 -","1","0.5","NG6005","Shan Gao; Ji-Wei Liu; Li-Hua Huo; Hui Zhao; Jing-Gui Zhao","Bis[aquachlorobis(1,10-phenanthroline)manganese(II)] benzene-1,4-dioxyacetate dihydrate","Acta Crystallographica Section E","2004","60","1","m113","m115","10.1107/S1600536803028782","","","0.71073","MoKα","","0.058","0.0393","","","0.0932","0.0985","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203090","13.195","0.003","6.668","0.001","9.666","0.002","90","","92.14","0.03","90","","849.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquacobalt(II) 1,5-naphthalenedisulfonate","","- C10 H18 Co O12 S2 -","- C10 H18 Co O12 S2 -","- C20 H36 Co2 O24 S4 -","2","0.5","NG6006","An, Dao-Li; Gao, Shan; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui","Hexaaquacobalt(II) 1,5-naphthalenedisulfonate","Acta Crystallographica Section E","2004","60","1","m111","m112","10.1107/S1600536803028794","","","0.71073","MoKα","","0.0262","0.0245","","","0.0677","0.0686","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203091","8.8608","0.0005","10.9102","0.0004","12.2876","0.0005","90","","106.018","0.002","90","","1141.76","0.09","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 I2 N2 O -","- C21 H28 I2 N2 O -","- C42 H56 I4 N4 O2 -","2","1","OB6320","Naokazu Yoshikawa; Keiko Takemoto; Jun Sakamoto; Nobuko Kanehisa; Yasushi Kai; Hiroshi Takashima; Keiichi Tsukahara","(11<i>S</i>)-(+)-<i>N,N</i>'-Dimethylcinchoninium diiodide","Acta Crystallographica Section E","2004","60","1","o17","o18","10.1107/S1600536803027181","","","0.7107","MoKα","","","0.0493","","","","0.107","","","","","","1.483","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203092","8.14","0.001","18.522","0.002","12.963","0.002","90","","94.32","0.01","90","","1948.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,5-dimethyl-8,9-methylenedioxyl-2,3-diphenyl- 5,6-dihydroimidazo[1,2-c]quinazoline","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","OB6321","Hui Wu; Daqing Shi; Chunling Shi; Juxian Wang; Xiangshan Wang; Hongwen Hu; Kaibei Yu","5,5-Dimethyl-2,3-diphenyl-5,6-dihydroimidazo[1,2-<i>c</i>]quinazoline","Acta Crystallographica Section E","2004","60","1","o9","o11","10.1107/S1600536803027089","","","0.71073","MoKα","","0.0697","0.0388","","","0.1014","0.1082","","","","","","0.962","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203093","8.258","0.006","11.615","0.008","12.873","0.009","108.694","0.011","99.9","0.012","98.089","0.013","1126.5","1.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquacobalt(II) trans-bis(η^3^-pyridine-2,6- dicarboxylato-κ^3^O,N,O')cobaltate(II) dihydrate","","- C14 H22 Co2 N2 O16 -","- C14 H22 Co2 N2 O16 -","- C28 H44 Co4 N4 O32 -","2","1","OB6327","Shiu, Kom-Bei; Yen, Chia-Hung; Liao, Fen-Ling; Wang, Sue-Lein","Hexaaquacobalt(II) <i>trans</i>-bis(η^3^-pyridine-2,6-dicarboxylato-κ^3^<i>O,N,O</i>')cobaltate(II) dihydrate","Acta Crystallographica Section E","2004","60","1","m35","m37","10.1107/S1600536803027491","","","0.71073","MoKα","","0.1887","0.0936","","","0.1968","0.2278","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203094","10.3841","0.0013","10.0409","0.0013","21.911","0.003","90","","90","","90","","2284.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(2-pyridyl)benzo[1,2-d-4,5-d']diimidazole","","- C13 H9 N5 -","- C13 H9 N5 -","- C104 H72 N40 -","8","1","OB6328","Lin, Xiao-Ju; Li, Yi-Zhi; Xu, Hai-Jun; Liu, Sheng-Gui; Xu, Li; Shen, Zhen; You, Xiao-Zeng","2-(2-Pyridyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']diimidazole","Acta Crystallographica Section E","2004","60","1","o77","o78","10.1107/S1600536803028113","","","0.71073","MoKα","","0.1052","0.0615","","","0.1313","0.1461","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203095","10.1557","0.0006","14.5963","0.0008","15.5209","0.0009","74.354","0.001","84.621","0.001","85.052","0.001","2201.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis{di-μ-isobutyrato-bis[cis-diammineplatinum(II)]} tetrakis(perchlorate)","","- C16 H52 Cl4 N8 O24 Pt4 -","- C16 H50 Cl4 N8 O24 Pt4 -","- C32 H100 Cl8 N16 O48 Pt8 -","2","1","OB6329","Sakai, Ken; Ishigami, Eri","Bis{di-μ-isobutyrato-bis[<i>cis</i>-diammineplatinum(II)]} tetraperchlorate","Acta Crystallographica Section E","2004","60","1","m65","m68","10.1107/S160053680302782X","","","0.71073","MoKα","","0.0532","0.0431","","","0.0988","0.1017","","","","","","0.963","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203096","7.2972","0.0005","12.7313","0.0008","15.7612","0.001","98.266","0.001","98.963","0.001","105.187","0.001","1369.45","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-aminopyridine)(2,2'-bipyridine)platinum(II) tetracyanoplatinate(II) dihydrate","","- C24 H24 N10 O2 Pt2 -","- C24 H20 N10 O2 Pt2 -","- C48 H40 N20 O4 Pt4 -","2","1","OB6331","Sakai, Ken; Mizota, Mina; Akiyama, Norinobu","Bis(2-aminopyridine)(2,2'-bipyridine)platinum(II) tetracyanoplatinate(II) dihydrate","Acta Crystallographica Section E","2004","60","1","m88","m90","10.1107/S1600536803028332","","","0.71073","MoKα","","0.0565","0.0466","","","0.1253","0.1306","","","","","","1.1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203097","7.5305","0.001","25.241","0.003","14.49","0.002","90","","98.639","0.003","90","","2723","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Triphenylphenacylphosphonium picrate","(benzoylmethyl)triphenylphosphonium 2,4,6-trinitrophenolate","","- C32 H24 N3 O8 P -","- C32 H24 N3 O8 P -","- C128 H96 N12 O32 P4 -","4","1","OB6333","Mahimaidoss Baby Mariyatra; Elinor C. Spencer; Krishanaswamy Panchanatheswaran; Judith A. K. Howard","Phenacyltriphenylphosphonium picrate: intra-and interionic C—H···O interactions","Acta Crystallographica Section E","2004","60","1","o123","o125","10.1107/S1600536803028940","","","0.71073","MoKα","","0.0533","0.0411","","","0.1011","0.1083","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203098","5.458","0.002","5.3326","0.0019","30.4527","0.0012","90","","91.102","0.013","90","","886.2","0.5","296","1","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Cl2 -","- C16 H32 Cl2 -","- C32 H64 Cl4 -","2","0.5","OB6334","Naotake Nakamura; Hirotaka Shimizu","1,16-Dichlorohexadecane","Acta Crystallographica Section E","2004","60","1","o131","o133","10.1107/S1600536803029027","","","1.5418","CuKα","","","0.05","","","","0.12","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203099","6.898","0.004","8.904","0.006","11.139","0.007","76.577","0.008","89.075","0.008","71.959","0.007","631.6","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-N-(2-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}ethyl)- 4-nitro-1H-pyrrole-2-carboxamide dimethylformamide disolvate","","- C20 H30 N8 O8 -","- C20 H30 N8 O8 -","- C20 H30 N8 O8 -","1","0.5","OM6190","Lu, Li-Ping; Zhu, Miao-Li; Yang, Pin","1-Methyl-<i>N</i>-(2-{[(1-methyl-4-nitro-1<i>H</i>-pyrrol-2-yl)carbonyl]amino}ethyl)-4-nitro-1<i>H</i>-pyrrole-2-carboxamide dimethylformamide disolvate","Acta Crystallographica Section E","2004","60","1","o35","o36","10.1107/S1600536803026291","","","0.71073","MoKα","","0.118","0.097","","","0.212","0.222","","","","","","1.171","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203100","11.6959","0.0009","10.6136","0.0009","15.3474","0.0012","90","","91.638","0.002","90","","1904.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Ferrocenylmethyl)trimethylammonium triiodide","","- C14 H20 Fe I3 N -","- C14 H20 Fe I3 N -","- C56 H80 Fe4 I12 N4 -","4","1","OM6194","Blake, Alexander J.; Caltagirone, Claudia; Lippolis, Vito; Schröder, Martin; Wilson, Claire","(Ferrocenylmethyl)trimethylammonium triiodide","Acta Crystallographica Section E","2004","60","1","m20","m21","10.1107/S1600536803026084","","","0.71073","MoKα","","0.03","0.026","","","0.061","0.062","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203101","9.13","0.003","10.321","0.004","10.904","0.004","106.791","0.006","107.621","0.005","104.581","0.005","870.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-one)diethanolcadmium(II)","","- C38 H38 Cd N4 O6 -","- C38 H38 Cd N4 O6 -","- C38 H38 Cd N4 O6 -","1","0.5","OM6195","Hai-Zhen Xu; You-Quan Zhu; Xin Zhang; Hua-Ling Zhu","Bis(4-benzoyl-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-onato)diethanolcadmium(II)","Acta Crystallographica Section E","2004","60","1","m96","m97","10.1107/S160053680302854X","","","0.71073","MoKα","","0.0567","0.0409","","","0.0794","0.0837","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203102","9.242","0.002","27.044","0.007","12.722","0.003","90","","92.862","0.004","90","","3175.8","1.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4,6-Trimethyl-1,3,5-tris(4-formylphenoxymethyl)benzene ethyl acetate solvate","","- C37 H38 O8 -","- C37 H38 O8 -","- C148 H152 O32 -","4","1","OM6196","David J. Bray; Leonard F. Lindoy; John C. McMurtrie","1,3,5-Tris(4-formylphenoxymethyl)-2,4,6-trimethylbenzene ethyl acetate solvate","Acta Crystallographica Section E","2004","60","1","o6","o8","10.1107/S160053680302703X","","","0.71073","MoKα","","0.078","0.053","","","0.133","0.1466","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203103","5.644","0.002","8.0547","0.0018","12.716","0.002","75.032","0.013","87.759","0.013","87.079","0.012","557.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N6 Ni O10 -","- C20 H20 N6 Ni O10 -","- C20 H20 N6 Ni O10 -","1","0.5","OM6197","Tu-Gen Xu; Duan-Jun Xu","Diaquabis(imidazole-κ<i>N</i>)bis(nitrobenzoato-κ<i>O</i>)nickel(II)","Acta Crystallographica Section E","2004","60","1","m27","m29","10.1107/S160053680302748X","","","0.71069","MoKα","","0.028","0.026","","","0.067","0.068","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203104","9.2127","0.0013","12.9944","0.0019","10.5892","0.0015","90","","93.267","0.002","90","","1265.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","p-methylphenyl 3-nitrobenzenesulfonate","4-Methylphenyl 3-nitrobenzenesulfonate","","- C13 H11 N O5 S -","- C13 H11 N O5 S -","- C52 H44 N4 O20 S4 -","4","1","OM6198","Nagarajan Vembu; Maruthai Nallu; Semih Durmus; Mathew Pazner; Jered Garrison; Wiley J. Youngs","4-Methylphenyl 3-nitrobenzenesulfonate","Acta Crystallographica Section E","2004","60","1","o1","o3","10.1107/S1600536803027090","","","0.71073","MoKα","","0.0364","0.0332","","","0.0888","0.0911","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203105","11.2578","0.0005","14.6014","0.0007","15.1903","0.0005","90","","90.212","0.003","90","","2496.96","0.18","277","1","297","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-diethylbenzimidazolium iodide","","- C11 H15 I N2 -","- C11 H15 I N2 -","- C88 H120 I8 N16 -","8","2","OM6199","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","1,3-Diethylbenzimidazolium iodide","Acta Crystallographica Section E","2004","60","1","o28","o30","10.1107/S1600536803027168","","","0.71073","MoKα","","0.0577","0.0414","","","0.0985","0.1142","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203106","9.8828","0.0019","5.8836","0.0017","12.5231","0.0012","90","","95.684","0.01","90","","724.6","0.3","296","","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","9-(p-Methylphenyl)fluorene","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","OM6200","McLean, Aaron W.; Meyers, Cal Y.; Robinson, Paul D.","9-(<i>p</i>-Methylphenyl)fluorene","Acta Crystallographica Section E","2004","60","1","o75","o76","10.1107/S1600536803028095","","","0.71069","MoKα","","0.097","0.038","","","0.096","0.117","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203107","8.3541","0.001","13.6308","0.001","15.4932","0.001","90","","90","","90","","1764.3","0.3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","RN6006","Abrahão-Júnior, Odonirio; Guilardi, Silvana; Maltha, Celia Regina A.; Piló-Veloso, Dorila","6α-Hydroxy-17β-azavouacapane-17,7β-carbolactone","Acta Crystallographica Section E","2004","60","1","o72","o74","10.1107/S1600536803027533","","","0.71073","MoKα","","","0.0416","","","","0.1169","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203108","12.124","0.002","13.464","0.003","17.483","0.004","90","","108.55","0.03","90","","2705.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 Co N6 O10 -","- C22 H34 Co N6 O10 -","- C88 H136 Co4 N24 O40 -","4","0.5","RN6007","Jin Yang; Jian-Fang Ma; Jing-Fu Liu","A coordination polymer of Co^II^ with 1,1'-(1,4-butanediyl)bis(imidazole)","Acta Crystallographica Section E","2004","60","1","m24","m26","10.1107/S1600536803027272","","","0.71073","MoKα","","0.0336","0.0273","","","0.0755","0.0769","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203109","4.503","0.002","21.234","0.008","6.936","0.002","90","","94.36","0.03","90","","661.3","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H9 Cl2 N5 -","- C H9 Cl2 N5 -","- C4 H36 Cl8 N20 -","4","1","RN6008","A. van der Lee; M. Barboiu","1-Amino-3-ammonioguanidinium dichloride","Acta Crystallographica Section E","2004","60","1","o89","o91","10.1107/S160053680302840X","","","0.71073","MoKα","","0.0718","0.0524","","0.1072","0.0898","0.0898","","","","","","0.9953","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203110","18.367","0.002","10.201","0.002","20.242","0.002","90","","107.318","0.003","90","","3620.6","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{μ-2'-[1-(4-chloro-2-oxidophenyl)ethylidene]thiophene-2- carbohydrazidato}bis[pyridinezinc(II)]","","- C36 H28 Cl2 N6 O4 S2 Zn2 -","- C36 H28 Cl2 N6 O4 S2 Zn2 -","- C144 H112 Cl8 N24 O16 S8 Zn8 -","4","1","RN6010","Hapipah Ali; Mohammad, Mazliza; M. Sukeri. M.Yusof; Bohari. M.Yamin","Bis{μ-2'-[1-(4-chloro-2-oxidophenyl)ethylidene]thiophene-2-carbohydrazidato}bis[pyridinezinc(II)]","Acta Crystallographica Section E","2004","60","1","m123","m125","10.1107/S160053680302909X","","","0.71073","MoKα","","0.06","0.048","","","0.131","0.138","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203111","7.911","0.004","9.84","0.005","21.292","0.01","101.291","0.007","93.077","0.007","92.768","0.007","1620.1","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Trans-Bis{2- [(3-cyclohexylaminopropylimino)methyl]phenolato}diazidonickel(II)","","- C32 H48 N10 Ni O2 -","- C32 H48 N10 Ni O2 -","- C64 H96 N20 Ni2 O4 -","2","1","SU6050","You, Zhong-Lu; Xiong, Zhong-Duo; Liu, Wei-Sheng; Tan, Min-Yu; Zhu, Hai-Liang","<i>trans</i>-Diazidobis{2-[(3-cyclohexylaminopropylimino)methyl]phenolato}nickel(II)","Acta Crystallographica Section E","2004","60","1","m79","m81","10.1107/S1600536803027235","","","0.71073","MoKα","","0.0726","0.0429","","","0.0928","0.1034","","","","","","0.855","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203112","9.3973","0.0005","10.876","0.0005","7.6283","0.0004","90","","115.026","0.002","90","","706.45","0.06","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H12 K2 Ni O12 -","- C6 H12 K2 Ni O12 -","- C12 H24 K4 Ni2 O24 -","2","0.25","SU6059","Xunwen Xiao; Wei Xu; Yan Li; Bin Zhang; Daoben Zhu","Dipotassium diaquabis(malonato-κ^2^<i>O,O</i>')nickelate(II) dihydrate","Acta Crystallographica Section E","2004","60","1","m48","m49","10.1107/S1600536803027508","","","0.71073","MoKα","","0.0211","0.0191","","","0.0501","0.0507","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203113","7.6307","0.0007","8.5404","0.0008","9.1204","0.001","71.019","0.009","81.102","0.008","72.999","0.008","536.32","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Chloromethyl-5-methoxy-4-methoxycarbonyl-3-oxo-2,3-dihydro-[1,3]oxaphosphole monohydrate","","- C7 H12 Cl O6 P -","- C7 H12 Cl O6 P -","- C14 H24 Cl2 O12 P2 -","2","1","SU6060","Ciptadi, Ciptadi; Cristau, Henri Jean; Bekro, Yves Alain; Tillard, Monique; Virieux, David","3-Chloromethyl-5-methoxy-4-methoxycarbonyl-3-oxo-2,3-dihydro-[1,3]oxaphosphole monohydrate","Acta Crystallographica Section E","2004","60","1","o99","o101","10.1107/S1600536803027351","","","0.71073","MoKα","","0.0481","0.0436","","","0.1257","0.1315","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203114","8.629","0.002","10.059","0.002","13.254","0.003","94.48","0.03","95.15","0.03","114.49","0.03","1034.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aqua(1H-imidazole-κN^3^)(triethanolamine-κ^3^O)copper(II) perchlorate benzene-1,4-dioxyacetate hemisolvate","","- C28 H50 Cl2 Cu2 N6 O22 -","- C28 H50 Cl2 Cu2 N6 O22 -","- C28 H50 Cl2 Cu2 N6 O22 -","1","0.5","SU6063","Gao, Shan; Liu, Ji-Wei; Li, Jian-Rong; Huo, Li-Hua; Zhao, Hui","Aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)(triethanolamine-κ^3^<i>O</i>)copper(II) perchlorate hemi(benzene-1,4-dioxyacetate)","Acta Crystallographica Section E","2004","60","1","m94","m95","10.1107/S1600536803028630","","","0.71073","MoKα","","0.045","0.035","","","0.088","0.092","","","","","","1.06","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2203115","15.5021","0.0015","10.5534","0.0016","11.2637","0.0011","90","","107.294","0.008","90","","1759.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-6-methyl-2-[4-(3-trifluoromethylphenyl)piperazin-1-ylmethyl]- 4H-pyran-4-one","","- C18 H19 F3 N2 O3 -","- C18 H19 F3 N2 O3 -","- C72 H76 F12 N8 O12 -","4","1","SU6064","Köysal, Yavuz; Işık, Şamil; Aytemir, Mutlu","3-Hydroxy-6-methyl-2-[4-(3-trifluoromethylphenyl)piperazin-1-ylmethyl]-4<i>H</i>-pyran-4-one","Acta Crystallographica Section E","2004","60","1","o112","o114","10.1107/S1600536803028642","","","0.71073","MoKα","","0.122","0.05","","","0.107","0.121","","","","","","0.699","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2203116","3.971","0.006","11.238","0.004","16.947","0.007","90","","91.24","0.07","90","","756.1","1.2","120","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","SU6065","Nikolaenko, Igor V.; Munro, Orde Q.","3-Methyl-1<i>H</i>-quinoxalin-2-one","Acta Crystallographica Section E","2004","60","1","o92","o94","10.1107/S1600536803028368","","","0.71073","MoKα","","","0.0579","","","","0.1673","","","","","","0.946","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203117","20.9","0.004","8.8496","0.0018","19.845","0.004","90","","118.26","0.03","90","","3233","1.4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Di-iodo-bis(o-chlorophenylbenzoylthiourea-κS)mercury(II)","","- C28 H22 Cl2 Hg I2 N4 O2 S2 -","- C28 H22 Cl2 Hg I2 N4 O2 S2 -","- C112 H88 Cl8 Hg4 I8 N16 O8 S8 -","4","0.5","SU6067","Yusof, M. Sukeri. M.; Yamin, Bohari. M.; Kassim, M. B.","Bis(<i>o</i>-chlorophenylbenzoylthiourea-κ<i>S</i>)diiodomercury(II)","Acta Crystallographica Section E","2004","60","1","m98","m99","10.1107/S1600536803028654","","","0.71073","MoKα","","0.054","0.042","","","0.094","0.098","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203118","8.546","0.004","24.166","0.003","12.057","0.008","90","","104.67","0.02","90","","2409","2","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 3-{[(2-chlorophenyl)sulfonyl]imino}-2-{[(3,5- dimethoxyphenyl)amino]carbonyl}-3-(methylsulfanyl)propanoate","","- C21 H23 Cl N2 O7 S2 -","- C21 H23 Cl N2 O7 S2 -","- C84 H92 Cl4 N8 O28 S8 -","4","1","TK6140","Colin H. L. Kennard; Helen G. McFadden; Karl A. Byriel","Ethyl 3-{[(2-chlorophenyl)sulfonyl]imino}-2-{[(3,5-dimethoxyphenyl)amino]carbonyl}-3-(methylsulfanyl)propanoate","Acta Crystallographica Section E","2004","60","1","o102","o103","10.1107/S1600536803026369","","","0.71073","Mokα","","0.218","0.043","","","0.098","0.152","","","","","","0.91","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203119","5.0407","0.0007","23.036","0.003","6.6601","0.0009","90","","111.569","0.002","90","","719.2","0.17","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Diaquabis(1H-imidazole-4,5-dicarboxylato-κ^2^N^3^,O^4^)cadmium(II)","","- C10 H10 Cd N4 O10 -","- C10 H10 Cd N4 O10 -","- C20 H20 Cd2 N8 O20 -","2","0.5","TK6143","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","<i>trans</i>-Diaquabis(1<i>H</i>-imidazole-4,5-dicarboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cadmium(II)","Acta Crystallographica Section E","2004","60","1","m12","m13","10.1107/S1600536803026916","","","0.71073","MoKα","","0.044","0.03","","","0.05","0.052","","","","","","0.74","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203120","7.648","0.003","8.532","0.002","16.947","0.006","91.41","0.02","92.98","0.02","112.26","0.02","1020.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","syn-Bis(2,4,6-trichlorophenyl) 2-ethylmalonate","","- C17 H10 Cl6 O4 -","- C17 H10 Cl6 O4 -","- C34 H20 Cl12 O8 -","2","1","TK6145","Wentrup, Curt; Buchanan, Jeff; Karl A. Byriel; Colin H.L. Kennard","Bis(2,4,6-trichlorophenyl) 2-ethylmalonate","Acta Crystallographica Section E","2004","60","1","o137","o138","10.1107/S1600536803028812","","","0.71073","Mokα","","0.057","0.034","","","0.088","0.103","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203121","7.693","0.0008","8.9579","0.001","18.538","0.002","96.987","0.002","95.358","0.002","102.126","0.002","1230.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Co N4 O6 -","- C28 H20 Co N4 O6 -","- C56 H40 Co2 N8 O12 -","2","1","TK6146","Xie, Lin-Ming; He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan","<i>cis</i>-Diaquabis(4-cyanobenzoato)(1,10-phenanthroline)cobalt(II)","Acta Crystallographica Section E","2004","60","1","m105","m107","10.1107/S1600536803028824","","","0.71073","MoKα","","0.071","0.046","","","0.078","0.084","","","","","","0.83","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203122","13.2392","0.001","13.7499","0.0009","14.1126","0.0012","90","","109.268","0.006","90","","2425.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Pyridin-2-yl)thiazol-2-ylamine","","- C8 H7 N3 S -","- C8 H7 N3 S -","- C96 H84 N36 S12 -","12","3","WK6007","Jonathan D Crane; Amanda McLaughlin","4-(Pyridin-2-yl)thiazol-2-ylamine","Acta Crystallographica Section E","2004","60","1","o129","o130","10.1107/S1600536803029180","","","0.71073","MoKα","","0.0483","0.0335","","","0.0803","0.0835","","","","","","0.896","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203123","6.8554","0.0008","7.3124","0.0009","7.561","0.0009","81.012","0.002","72.301","0.002","83.691","0.002","355.87","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dipotasium nickel bis(dihydrogendiphosphate) dihydrate","","- H8 K2 Ni O16 P4 -","- H8 K2 Ni O16 P4 -","- H8 K2 Ni O16 P4 -","1","0.5","","Alaoui Tahiri, Aziz; Messouri, Ibtissam; Lachkar, Mohammed; Zavalij, Peter Y.; Glaum, Robert; El Bali, Brahim; Ouarsal Rachid","Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate, K~2~Ni(H~2~P~2~O~7~)~2~.2H~2~O","Acta Crystallographica, Section E","2004","60","1","i3","i5","10.1107/S1600536803028344","","","0.71073","MoKα","","0.0646","0.0437","","","0.0925","0.0989","","","","","","0.955","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203124","9.6673","0.0011","11.9122","0.0014","5.8846","0.0007","90","","90","","90","","677.66","0.14","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","Trisodium vanadium oxide trisulfide","","- Na3 O S3 V -","- Na3 O S3 V -","- Na12 O4 S12 V4 -","4","0.5","","Huang, Fu Qiang; Ibers, James A.","Na~3~VOS~3~","Acta Crystallographica, Section E","2004","60","1","i6","i7","10.1107/S1600536803028939","","","0.71073","MoKα","","0.0172","0.017","","","0.0441","0.0441","","","","","","1.149","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2203125","5.179","0.0007","11.0081","0.0018","21.238","0.003","90","","90.679","0.01","90","","1210.7","0.3","296","1","296","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,5-Diaminonaphthalene","1,5-Diaminonaphthalene","","- C10 H10 N2 -","- C10 H10 N2 -","- C60 H60 N12 -","6","1.5","WN6193","Bernès, Sylvain; Rodríguez Pastrana, Modesto; Huerta Sánchez, Enrique; Gutiérrez Pérez, René","1,5-Diaminonaphthalene","Acta Crystallographica Section E","2004","60","1","o45","o47","10.1107/S1600536803026643","","","0.71073","MoKα","","0.081","0.041","","","0.096","0.118","","","","","","1.013","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2203126","6.066","0.003","11.076","0.006","7.797","0.003","90","","91.56","0.04","90","","523.7","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-(tert-Butylamino)-5-oxopentanoic acid","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C18 H34 N2 O6 -","2","1","WN6196","Takahashi, Kazuyuki; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","5-(<i>tert</i>-Butylamino)-5-oxopentanoic acid","Acta Crystallographica Section E","2004","60","1","o19","o21","10.1107/S1600536803026965","","","0.71069","MoKα","","0.038","0.034","","","0.086","0.088","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203127","7.8787","0.001","12.446","0.002","24.501","0.003","90","","90","","90","","2402.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-Benzyloxyethyl)-4,7-dimethyl-6-(1,3-dithiolan-2-yl)-1,2,3,4,5,6- hexahydro-1,5-methano-2-azocino[4,3-b]indol-2-one","","- C27 H30 N2 O2 S2 -","- C27 H30 N2 O2 S2 -","- C108 H120 N8 O8 S8 -","4","1","WN6198","Hökelek, Tuncer; Uludağ, Nesimi; Patır, Süleyman","<i>N</i>-(2-Benzyloxyethyl)-4,7-dimethyl-6-(1,3-dithiolan-2-yl)-1,2,3,4,5,6-hexahydro-1,5-methano-2-azocino[4,3-<i>b</i>]indol-2-one","Acta Crystallographica Section E","2004","60","1","o25","o27","10.1107/S1600536803027041","","","0.71073","MoKα","","0.1603","0.0556","","","0.1236","0.1549","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203128","10.388","0.003","14.839","0.004","10.567","0.003","90","","100.64","0.03","90","","1600.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","WN6201","Wawrzycka-Gorczyca, Irena; Koziol, Anna E.; Glice, Magdalena; Cybulski, Jacek","Polymorphic form II of 2-methyl-4-(4-methyl-1-piperazinyl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine","Acta Crystallographica Section E","2004","60","1","o66","o68","10.1107/S160053680302806X","","","1.54178","CuKα","","0.0421","0.0333","","","0.0908","0.0961","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203129","10.207","0.003","12.44","0.004","14.278","0.005","90","","92.6","0.03","90","","1811.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine methanol solvate","2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine methanol solvate","","- C18 H24 N4 O S -","- C18 H24 N4 O S -","- C72 H96 N16 O4 S4 -","4","1","WN6202","Wawrzycka-Gorczyca, Irena; Mazur, Liliana; Koziol, Anna E.","2-Methyl-4-(4-methyl-1-piperazinyl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine methanol solvate","Acta Crystallographica Section E","2004","60","1","o69","o71","10.1107/S1600536803028071","","","1.54178","CuKα","","0.2904","0.0628","","","0.1692","0.2759","","","","","","1.021","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2203130","14.073","0.006","8.228","0.002","9.2","0.002","90","","108.33","0.03","90","","1011.2","0.6","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","d4pype","1,2-bis(di-4-pyridylphosphino)ethane","","- C22 H20 N4 P2 -","- C22 H20 N4 P2 -","- C44 H40 N8 P4 -","2","0.5","WN6203","Susan J. Berners-Price; Richard J. Bowen; Peter C. Healy","1,2-Bis(di-4-pyridylphosphino)ethane (d4pype)","Acta Crystallographica Section E","2004","60","1","o43","o44","10.1107/S1600536803027405","","","0.7107","MoKα","","0.1526","0.0522","","","0.1439","0.1824","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203131","10.528","0.002","7.377","0.005","13.551","0.005","90","","108.169","0.008","90","","1000","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bis(methanol-κO)bis(2-quinolinecarboxylato-κ^2^N,O)zinc(II)","","- C22 H20 N2 O6 Zn -","- C22 H20 N2 O6 Zn -","- C44 H40 N4 O12 Zn2 -","2","0.5","WW6149","Yue, Zheng-Yu; Cheng, Chao; Gao, Po; Yan, Peng-Fei","<i>trans</i>-Bis(methanol-κ<i>O</i>)bis(2-quinolinecarboxylato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section E","2004","60","1","m82","m84","10.1107/S1600536803028241","","","0.71073","MoKα","","0.0341","0.0272","","","0.0666","0.071","","","","","","1.091","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203132","6.993","0.001","14.49","0.002","16.274","0.003","90","","96.07","0.02","90","","1639.8","0.4","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-(4-Phenyltetrahydro-2-furyl)methyl p-nitrobenzoate","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","YA6180","Hartung, Jens; Schmidt, Philipp; Svoboda, Ingrid; Fuess, Hartmut","<i>trans</i>-(4-Phenyltetrahydro-2-furyl)methyl <i>p</i>-nitrobenzoate","Acta Crystallographica Section E","2004","60","1","o12","o13","10.1107/S1600536803027028","","","0.71073","MoKα","","0.101","0.074","","","0.218","0.244","","","","","","1.06","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203133","12.18","0.005","4.8825","0.0017","20.083","0.008","90","","91.152","0.009","90","","1194.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,5-diiodo[1,2,5]thiadiazolotetrathiafulvalene","5-(4,5-diiodo-1,3-dithiol-2-ylidene)-1,3,2,4,6-diazatrithiapentalene","","- C6 I2 N2 S5 -","- C6 I2 N2 S5 -","- C24 I8 N8 S20 -","4","1","YA6184","Tomura, Masaaki; Yamashita, Yoshiro","4,5-Diiodo[1,2,5]thiadiazolotetrathiafulvalene","Acta Crystallographica Section E","2004","60","1","o63","o65","10.1107/S1600536803027466","","","0.7107","MoKα","","0.123","0.099","","","0.18","0.189","","","","","","1.31","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203134","8.357","0.001","11.122","0.002","15.044","0.002","93.053","0.002","96.081","0.002","90.891","0.002","1388.1","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","5,5'-Oxybis[2-(phthalimido)acetic acid] bis-N,N-dimethylformamide solvate","","- C26 H26 N4 O11 -","- C26 H26 N4 O11 -","- C52 H52 N8 O22 -","2","1","YA6188","Lü, Xingqiang; Kang, Beisheng; Ng, Seik Weng","5,5'-Oxybis[2-(phthalimido)acetic acid] <i>N,N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2004","60","1","o104","o106","10.1107/S1600536803028253","","","0.71073","MoKα","","0.121","0.06","","","0.162","0.196","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203135","10.814","0.002","13.534","0.003","15.061","0.003","90","","106.561","0.014","90","","2112.8","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')dichloronickel(II) dihydrate","","- C12 H16 Cl2 N8 Ni O2 S4 -","- C12 H16 Cl2 N8 Ni O2 S4 -","- C48 H64 Cl8 N32 Ni4 O8 S16 -","4","1","YA6189","Liu, Jia-Geng; Xu, Duan-Jun","Dichlorobis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate","Acta Crystallographica Section E","2004","60","1","m108","m110","10.1107/S1600536803028800","","","0.71073","MoKα","","0.106","0.045","","","0.09","0.101","","","","","","0.811","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203136","10.8756","0.0004","8.939","0.0003","31.227","0.001","90","","90","","90","","3035.79","0.18","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(2R*,5S*)-Bicyclic chloromethyl phosphonamide","(1R*,3aS*)-1-(chloromethyl)-1λ^5^-phospha-2,6a-diazaperhydropentalene 1-oxide dihydrate","","- C12 H20 Cl N2 O3 P -","- C12 H20 Cl N2 O3 P -","- C96 H160 Cl8 N16 O24 P8 -","8","1","AC6070","Chen, Dimei; Zhong, Ping; Ding, Jinchang; Yuan, Chengye","(1<i>RS</i>,3a<i>SR</i>)-1-(chloromethyl)-1λ^5^-phospha-2,6a-diazaperhydropentalene 1-oxide dihydrate","Acta Crystallographica Section E","2004","60","2","o237","o238","10.1107/S1600536803025546","","","0.71073","MoKα","","0.053","0.0438","","","0.1215","0.1283","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203137","11.201","0.003","13.187","0.003","27.217","0.005","90","","91.39","0.017","90","","4019","1.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 O10 -","- C26 H32 N2 O10 -","- C156 H192 N12 O60 -","6","1.5","AC6077","Rademeyer, Melanie; Barkhuizen, David A.; Maguire, Glenn E. M.","Tetramethyl 1,2-bis(2-aminophenoxy)ethane-<i>N,N,N</i>',<i>N</i>'-tetraacetate","Acta Crystallographica Section E","2004","60","2","o213","o215","10.1107/S1600536804000315","","","0.71073","MoKα","","0.0662","0.0467","","","0.1194","0.1281","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203138","8.364","0.003","6.816","0.003","10.972","0.005","90","","101.98","0.006","90","","611.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N-(4-methyl-1-piperazinyl)phthalimide","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C26 H30 N6 O4 -","2","0.5","AC6078","Guo, Ming-Lin","<i>N</i>-(4-Methyl-1-piperazinyl)phthalimide","Acta Crystallographica Section E","2004","60","2","o306","o307","10.1107/S1600536804001825","","","0.71073","MoKα","","0.0539","0.041","","","0.1051","0.1138","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203139","7.296","0.0006","7.942","0.0018","8.208","0.0009","97.637","0.014","103.327","0.008","111.756","0.015","417.11","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N14 Ni -","- C12 H20 N14 Ni -","- C12 H20 N14 Ni -","1","0.5","AC6079","Albada, Gerard A.van; Mohamadou, Aminou; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Diazidobis(2,2'-biimidazoline)nickel(II)","Acta Crystallographica Section E","2004","60","2","m237","m238","10.1107/S1600536804001795","","","0.71073","MoKα","","0.0281","0.025","","","0.0659","0.0672","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203140","18.6723","0.0001","18.6723","0.0001","8.1734","0.0001","90","","90","","90","","2849.7","0.04","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","erbium platinum silidide","","- Er36 Pt99.39 Si32 -","- Er36 Pt99.388 Si32 -","- Er36 Pt99.388 Si32 -","1","0.0625","BR6132","Tursina, Anna I.; Gribanov, Alexandr V.; Noël, Henri; Rogl, Peter; Seropegin, Yuri D.","Er~36~Pt~102{-~<i>x</i>}Si~32~ (<i>x</i> = 2.6), a new structure type of a ternary intermetallic silicide","Acta Crystallographica Section E","2004","60","2","i8","i9","10.1107/S1600536803029398","","","0.71073","MoKα","","0.0579","0.0492","","","0.1285","0.135","","","","","","1.135","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203141","10.804","0.002","11.034","0.002","13.748","0.003","90","","95.78","0.02","90","","1630.6","0.6","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","tetrapotassium sodium hydrogendecavanadate decahydrate","","- H21 K4 Na O38 V10 -","- K4 Na O38 V10 -","- K8 Na2 O76 V20 -","2","0.5","BR6134","Lee, Uk; Joo, Hea-Chung","A novel monoprotonated decavanadate, K~4~Na[HV~10~O~28~]·10H~2~O","Acta Crystallographica Section E","2004","60","2","i22","i24","10.1107/S1600536804000893","","","0.71069","MoKα","","0.0726","0.046","","","0.1076","0.1282","","","","","","1.145","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203142","7.6826","0.0007","6.2459","0.0006","8.6691","0.0008","90","","90","","90","","415.98","0.07","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As H Hg O5 Zn -","- As H Hg O5 Zn -","- As4 H4 Hg4 O20 Zn4 -","4","0.5","","Weil, Matthias","ZnHg(AsO~4~)(OH) with a descloizite-type structure","Acta Crystallographica, Section E","2004","60","2","i25","i27","10.1107/S1600536804001527","","","0.71073","MoKα","","0.0211","0.0181","","","0.0401","0.0407","","","","","","1.124","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203143","12.6311","0.0019","14.607","0.0019","11.1428","0.0015","90","","112.94","0.02","90","","1893.3","0.5","298","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H15 Cd N3 O5 -","- C18 H15 Cd N3 O5 -","- C72 H60 Cd4 N12 O20 -","4","0.5","BT6376","Liao, Ju-Hsiou; Ho, Chien-De","Poly[diaqua[μ-1,2-bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']tetrakis(μ-isonicotinato-κ^2^<i>N</i>:<i>O</i>)dicadmium(II)]","Acta Crystallographica Section E","2004","60","2","m156","m158","10.1107/S1600536803025340","","","0.71073","MoKα","","0.0248","0.0226","","","0.0566","0.0578","","","","","","1.206","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203144","8.7868","0.001","8.1911","0.001","22.718","0.003","90","","100.098","0.003","90","","1609.8","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorobis(2-pyridylethanol)copper(II) chloride","","- C14 H18 Cl2 Cu N2 O2 -","- C14 H18 Cl2 Cu N2 O2 -","- C56 H72 Cl8 Cu4 N8 O8 -","4","1","BT6379","Hamamci, Sevim; Yilmaz, Veysel T.; Thöne, Carsten","Chlorobis[2-(2-pyridyl)ethanol]copper(II) chloride","Acta Crystallographica Section E","2004","60","2","m159","m161","10.1107/S1600536804000157","","","0.71073","MoKα","","0.0292","0.0275","","","0.0687","0.0695","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203145","12.013","0.002","7.789","0.001","25.542","0.003","90","","97.802","0.003","90","","2367.8","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-[2-(2,6-Dimethylphenylamino)phenylmethyleneamino]-1,3-diisopropylbenzene","","- C27 H32 N2 -","- C27 H32 N2 -","- C108 H128 N8 -","4","1","BT6388","Gao, Haiyang; Wu, Qing; Ng, Seik Weng","2-[2-(2,6-Dimethylphenylamino)phenylmethyleneamino]-1,3-diisopropylbenzene","Acta Crystallographica Section E","2004","60","2","o193","o195","10.1107/S1600536804000492","","","0.71073","MoKα","","0.108","0.052","","","0.148","0.179","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203146","9.5356","0.0007","9.6262","0.0007","11.6413","0.0008","81.701","0.001","82.397","0.001","85.453","0.001","1046.11","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-benz(oxa/thia)zolyl-2-phenolato-κ^3^N,O:O]bis{bis[2- benz(oxa/thia)zolyl-2-phenolato-κ^2^N,O]zinc(II)}","","- C52 H32 N4 O6.67 S1.33 Zn2 -","- C52 H32 N4 O6.68 S1.32 Zn2 -","- C52 H32 N4 O6.68 S1.32 Zn2 -","1","0.5","BT6389","Tong, Yi-Ping; Chen, Xiao-Ming; Ng, Seik Weng","Bis[μ-2-benz(oxa/thia)zolyl-2-phenolato-κ^3^<i>N,O</i>:<i>O</i>]bis{bis[2-benz(oxa/thia)zolyl-2-phenolato-κ^2^<i>N,O</i>]zinc(II)}","Acta Crystallographica Section E","2004","60","2","m166","m168","10.1107/S1600536804000509","","","0.71073","MoKα","","0.057","0.047","","","0.11","0.115","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203147","21.595","0.003","6.4904","0.0008","15.611","0.002","90","","132.774","0.001","90","","1606.1","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquamanganese(II)]-di-μ-4-pyridylthioacetato-κ^6^O,O':N;N:O,O']","","- C14 H14 Mn N2 O5 S2 -","- C14 H14 Mn N2 O5 S2 -","- C56 H56 Mn4 N8 O20 S8 -","4","0.5","BT6390","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","<i>catena</i>-Poly[[aquamanganese(II)]-di-μ-4-pyridylthioacetato-κ^6^<i>O,O</i>':<i>N</i>;<i>N</i>:<i>O,O</i>']","Acta Crystallographica Section E","2004","60","2","m169","m170","10.1107/S1600536804000510","","","0.71073","MoKα","","0.066","0.054","","","0.124","0.131","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203148","8.9507","0.0008","10.0094","0.0009","13.9732","0.0012","90.953","0.01","100.442","0.01","116.19","0.009","1098.1","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Cu2 N12 O18 S2 -","- C36 H44 Cu2 N12 O18 S2 -","- C36 H44 Cu2 N12 O18 S2 -","1","0.5","BT6391","Dilovan S. Cati; Helen Stoeckli-Evans","A macrocyclic binuclear copper(II) complex of the ligand <i>N,N</i>'-bis(pyridin-2-ylmethyl)pyrazine-2,3-dicarboxamide","Acta Crystallographica Section E","2004","60","2","m177","m179","10.1107/S1600536804000522","","","0.71073","MoKα","","0.0541","0.0288","","","0.0554","0.06","","","","","","0.991","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203149","9.3201","0.001","9.9743","0.0012","11.8877","0.0013","114.331","0.013","90.178","0.013","100.199","0.013","987.5","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Cu2 N12 O12 -","- C36 H28 Cu2 N12 O12 -","- C36 H28 Cu2 N12 O12 -","1","0.5","BT6392","Dilovan S. Cati; Helen Stoeckli-Evans","A neutral macrocyclic binuclear copper(II) complex of the deprotonated form of the ligand <i>N,N</i>'-bis(pyridin-2-ylmethyl)pyrazine-2,3-dicarboxamide","Acta Crystallographica Section E","2004","60","2","m180","m182","10.1107/S1600536804000534","","","0.71073","MoKα","","0.0626","0.0445","","","0.1085","0.1144","","","","","","0.967","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203150","13.3356","0.0006","13.3356","0.0006","13.6495","0.0009","90","","90","","90","","2427.4","0.2","150","2","150","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C32 H72 Br0.33 Cl3.67 Cu4 Mo N2 S4 -","- C32 H72 Br0.328 Cl3.672 Cu4 Mo N2 S4 -","- C64 H144 Br0.656 Cl7.344 Cu8 Mo2 N4 S8 -","2","0.25","BT6400","Brooks, Neil R.; Clegg, William; Esm-Hosseini, Majid; Hossaini Sadr, Moayad; Yavari, Reza","A second tetragonal polymorph of bis(tetra-<i>n</i>-butylammonium) tetrakis[chloro(μ~3~-sulfido)copper(I)]molybdate(VI)","Acta Crystallographica Section E","2004","60","2","m204","m206","10.1107/S1600536804001175","","","0.71073","MoKα","","0.0419","0.0244","","","0.0515","0.0583","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203151","14.2654","0.001","17.8039","0.0018","17.288","0.002","90","","93.224","0.009","90","","4383.9","0.7","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C27 H66 Br3.42 Cl0.58 Cu3 Mo N3 O2 S3 -","- C27 H66 Br3.415 Cl0.585 Cu3 Mo N3 O2 S3 -","- C108 H264 Br13.66 Cl2.34 Cu12 Mo4 N12 O8 S12 -","4","1","BT6401","Beheshti, Azizolla; Brooks, Neil R.; Clegg, William; Khorrmdin, Rahman","Tris(tetraethylammonium) tris(μ~3~-sulfido)bis[bromocopper(I)][dibromocopper(I)]oxomolybdate(VI) acetone solvate","Acta Crystallographica Section E","2004","60","2","m231","m233","10.1107/S1600536804001722","","","0.71073","MoKα","","0.0741","0.0528","","","0.1179","0.1277","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203152","26.986","0.003","18.412","0.003","17.365","0.002","90","","107.295","0.009","90","","8238","1.9","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","α-Dichlorobis(2-phenylazo-4,6-dimethylpyridine)ruthenium(II)","","- C26 H26 Cl2 N6 Ru -","- C26 H26 Cl2 N6 Ru -","- C312 H312 Cl24 N72 Ru12 -","12","1.5","BT6402","Kooijman, Huub; Hotze, Anna C. G.; Caspers, Sabrine E.; Haasnoot, Jaap G.; Reedijk, Jan; Spek, Anthony L.","α-Dichlorobis(2-phenylazo-4,6-dimethylpyridine)ruthenium(II) chloroform solvate","Acta Crystallographica Section E","2004","60","2","m247","m249","10.1107/S1600536804001618","","","0.71073","MoKα","","0.0467","0.0338","","","0.0785","0.0827","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203153","6.9664","0.0014","24.389","0.005","11.713","0.002","90","","97.63","0.03","90","","1972.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{2-[4-(2,4-Dinitrophenyl)piperazin-1-yl]-ethyl}-4-aza-1-azonia- bicyclo[2.2.2]octane chloride","","- C18 H27 Cl N6 O4 -","- C18 H27 Cl N6 O4 -","- C72 H108 Cl4 N24 O16 -","4","1","BT6403","Clegg, William; Golding, Bernard T.; Harrington, Ross W.; Scott, Richard","1-{2-[4-(2,4-Dinitrophenyl)piperazin-1-yl]ethyl}-4-aza-1-azoniabicyclo[2.2.2]octane chloride","Acta Crystallographica Section E","2004","60","2","o291","o293","10.1107/S1600536804001710","","","0.71073","MoKα","","0.0802","0.046","","","0.0753","0.0849","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203154","9.2962","0.0002","8.2755","0.0002","11.4267","0.0003","90","","91.083","0.0011","90","","878.91","0.04","150","2","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4S,5R)-(-)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","CF6304","Duffy, Marina; Gallagher, John F.; Lough, Alan J.","C—H···O and C—H···π(arene) interactions in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(‒)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","Acta Crystallographica Section E","2004","60","2","o234","o236","10.1107/S1600536803028733","","","0.71073","MoKα","","0.035","0.031","","","0.076","0.079","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203155","10.389","0.003","14.745","0.004","19.531","0.007","90","","90","","90","","2991.9","1.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,7,17-O-triacetyl-5-O-butanoyl-13,15-dihydroxymyrisinol","","- C30 H42 O11 -","- C30 H42 O11 -","- C120 H168 O44 -","4","1","CF6314","Parvez, Masood; Ahmad, Viqar Uddin; Hussain, Javid; Hussain, Hidayat; Farooq, Umar","3,7,17-Tri-<i>O</i>-acetyl-5-<i>O</i>-butanoyl-13,15-dihydroxymyrisinol","Acta Crystallographica Section E","2004","60","2","o148","o150","10.1107/S1600536803028770","","","0.71073","MoKα","","0.062","0.048","","","0.126","0.139","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203156","10.832","0.004","8.845","0.003","12.922","0.004","90","","111.22","0.02","90","","1154.1","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Butylhydrogenphthalate","Butylhydrogenphthalate","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","CF6318","Parvez, Masood; Sadiq-ur-Rahman; Ali, Saqib; Mazhar, Muhammad","<i>n</i>-Butyl hydrogen phthalate","Acta Crystallographica Section E","2004","60","2","o151","o152","10.1107/S160053680302926X","","","0.71073","MoKα","","0.088","0.044","","","0.101","0.119","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203157","14.5978","0.001","8.1794","0.0006","16.9523","0.0012","90","","90","","90","","2024.1","0.2","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridine)diazidomanganese(II)","","- C20 H16 Mn N10 -","- C20 H16 Mn N10 -","- C80 H64 Mn4 N40 -","4","0.5","CF6322","Ya-Qian Cheng; Mao-Lin Hu; Sai-Rong Fan; Wei Zhang","Diazidobis(2,2'-bipyridine)manganese(II)","Acta Crystallographica Section E","2004","60","2","m212","m213","10.1107/S1600536804001308","","","0.71073","MoKα","","0.0601","0.0591","","","0.1371","0.1377","","","","","","1.341","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203158","7.59","0.004","10.532","0.006","8.101","0.004","90","","100.248","0.009","90","","637.2","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","1","CF6323","Adams, Harry; Allen, Ray W. K.; Chin, Jitkai; O'Sullivan, Brian; Styring, Peter; Sutton, Liam R.","4'-(Dimethylamino)-4-nitroazobenzene","Acta Crystallographica Section E","2004","60","2","o289","o290","10.1107/S160053680400159X","","","0.71073","MoKα","","0.0823","0.0709","","","0.191","0.2035","","","","","","1.209","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203159","9.1514","0.0002","16.5218","0.0003","12.8524","0.0003","90","","97.186","0.001","90","","1927.99","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Metoclopramide Sulphate","4-Ammonio-5-chloro-N-[2-(N,N-diethylammonio)ethyl]-2-methoxybenzamide sulfate","","- C14 H24 Cl N3 O6 S -","- C14 H24 Cl N3 O6 S -","- C56 H96 Cl4 N12 O24 S4 -","4","1","CI6315","Girija, C. R.; Noor Shahina Begum","4-Ammonio-5-chloro-<i>N</i>-[2-(<i>N,N</i>-diethylammonio)ethyl]-2-methoxybenzamide sulfate","Acta Crystallographica Section E","2004","60","2","o260","o261","10.1107/S1600536803029611","","","0.71073","MoKα","","0.0842","0.0567","","","0.1575","0.1785","","","","","","1.026","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203160","14.516","0.002","4.784","0.002","19.194","0.004","90","","107.62","0.01","90","","1270.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-methylazobenzene-2-sulphenylcyanide","","- C14 H11 N3 S -","- C14 H11 N3 S -","- C56 H44 N12 S4 -","4","1","CI6317","Karmakar Sanjib; Patowary Kabita; Barman, P.; Hazarika, D.; Bhattacharjee, S.","4'-Methylazobenzene-2-sulfenyl cyanide","Acta Crystallographica Section E","2004","60","2","o179","o180","10.1107/S1600536803029702","","","1.5418","CuKα","","0.1094","0.0739","","","0.2059","0.2308","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203161","8.427","0.002","10.2","0.002","11.163","0.003","90","","90","","90","","959.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-[hydroxy(2-pyridyl)methyl]-2-cyclopenten-1-one","2-[hydroxy(2-pyridyl)methyl]-2-cyclopenten-1-one","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","CI6318","Huo, Fangjun; Yin, Caixia; Guo, Wei; Xia, Chizhong","2-[Hydroxy(2-pyridyl)methyl]-2-cyclopenten-1-one: the Baylis‒Hillman adduct of 2-pyridinecarboxaldehyde and 2-cyclopenten-1-one","Acta Crystallographica Section E","2004","60","2","o204","o206","10.1107/S1600536804000091","","","0.71073","MoKα","","0.0382","0.0347","","","0.0924","0.095","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203162","22.584","0.005","10.026","0.002","13.401","0.003","90","","102.26","0.03","90","","2965.1","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Magnesium ferron pentahydrate","bis(μ-8-hydroxy-7-iodoquinoline-5-sulfonato- κ^3^N,O:O')bis[triaquamagnesium(II)] tetrahydrate","","- C18 H28 I2 Mg2 N2 O18 S2 -","- C18 H28 I2 Mg2 N2 O18 S2 -","- C72 H112 I8 Mg8 N8 O72 S8 -","4","0.5","CI6319","Savarimuthu Francis; Packianathan Thomas Muthiah; Rychlewska, Urszula; Warżajtis, Beata","The dimer bis(μ-8-hydroxy-7-iodoquinoline-5-sulfonato-κ^3^<i>N,O</i>:<i>O</i>')bis[triaquamagnesium(II)] tetrahydrate","Acta Crystallographica Section E","2004","60","2","m137","m139","10.1107/S1600536803029453","","","0.71073","MoKα","","0.0281","0.0237","","","0.0554","0.0572","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203163","9.7677","0.0015","5.875","0.003","13.7295","0.0015","90","","100.76","0.01","90","","774","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,6-Dimethyl-5-nitro-1H-pyridin-2-one","4,6-Dimethyl-5-nitro-1H-pyridin-2-one","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","1","CI6320","Victor B. Rybakov; Alexander A. Bush; Eugene V. Babaev; Leonid A. Aslanov","4,6-Dimethyl-5-nitro-1<i>H</i>-pyridin-2-one","Acta Crystallographica Section E","2004","60","2","o201","o203","10.1107/S160053680302960X","","","1.5418","CuKα","","0.0754","0.0429","","","0.0965","0.1111","","","","","","0.981","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203164","8.7135","0.0006","13.5629","0.0009","13.93","0.001","90","","91.986","0.001","90","","1645.3","0.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-ethoxy-bis[diethoxy(8-quinolinato)titanium(IV)]","","- C30 H42 N2 O8 Ti2 -","- C30 H42 N2 O8 Ti2 -","- C60 H84 N4 O16 Ti4 -","2","0.5","CI6321","Amini, Mostafa M.; Mirzaee, Mehdi; Ng, Seik Weng","Di-μ-ethoxy-bis[diethoxy(8-quinolinato)titanium(IV)]","Acta Crystallographica Section E","2004","60","2","m145","m146","10.1107/S1600536803029544","","","0.71073","MoKα","","0.041","0.031","","","0.085","0.091","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203165","12.599","0.001","17.659","0.001","13.024","0.001","90","","90","","90","","2897.7","0.4","163","2","163","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tris(8-hydroxyquinolinato-κ^2^O,N)oxoniobium(V) dichloromethane disolvate","","- C29 H22 Cl4 N3 Nb O4 -","- C29 H22 Cl4 N3 Nb O4 -","- C116 H88 Cl16 N12 Nb4 O16 -","4","0.5","CI6322","Amini, Mostafa M.; Mirzaee, Mehdi; Yeganeh, Farnaz; Ng, Seik Weng","Tris(8-hydroxyquinolinato-κ^2^<i>O,N</i>)oxoniobium(V) dichloromethane disolvate","Acta Crystallographica Section E","2004","60","2","m147","m148","10.1107/S1600536803029556","","","0.71073","MoKα","","0.054","0.036","","","0.088","0.097","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203166","9.1911","0.0016","12.8581","0.0017","15.827","0.002","90","","90","","90","","1870.4","0.5","293","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 B F3 N O P -","- C17 H20 B F3 N O P -","- C68 H80 B4 F12 N4 O4 P4 -","4","1","CI6326","Johansson, Magnus J.; Kann, Nina.; Larsson, Krister","(2<i>R</i>,4<i>S</i>,5<i>R</i>)-3,4-Dimethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-oxazaphospholidine(<i>P</i>—<i>B</i>)borane","Acta Crystallographica Section E","2004","60","2","o287","o288","10.1107/S1600536804001333","","","0.71073","MoKα","","","0.0476","","","","0.1338","","","","","","1.044","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2203167","13.05","0.003","16.068","0.003","8.0948","0.0016","90","","104.75","0.03","90","","1641.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaimidazolemanganese(II) terephthalate tetrahydrate","","- C26 H36 Mn N12 O8 -","- C26 H36 Mn N12 O8 -","- C52 H72 Mn2 N24 O16 -","2","0.5","CI6327","Shu-Yan Niu; Shu-Sheng Zhang; Xue-Mei Li; Yong-Hong Wen; Kui Jiao","Hexaimidazolemanganese(II) terephthalate tetrahydrate","Acta Crystallographica Section E","2004","60","2","m209","m211","10.1107/S160053680400090X","","","0.71073","MoKα","","0.0558","0.0361","","","0.0848","0.1001","","","","","","1.114","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203168","10.6293","0.0006","10.7405","0.0006","21.4937","0.0013","90","","90","","90","","2453.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-Hydroxymexicanolide","4-(3-Furyl)-1,4,4a,5,6,6a,7,8α,9,10,11α,12-dodecahydro-4a,7,9,9- tetramethyl-2,10,13-trioxo-7,11-methano-2H-cycloocta[f][2]benzopyran-8- hydroxyl acetic acid methyl ester","","- C27 H32 O8 -","- C27 H32 O8 -","- C108 H128 O32 -","4","1","CI6328","Kan Chantrapromma; Nisakorn Saewan; Hoong-Kun Fun; Suchada Chantrapromma; Azhar Abdul Rahman","6-Hydroxymexicanolide","Acta Crystallographica Section E","2004","60","2","o312","o314","10.1107/S1600536804001667","","","0.71073","MoKα","","0.065","0.0503","","","0.1219","0.1345","","","","","","1.113","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203169","4.5866","0.0004","19.742","0.002","12.62","0.0011","90","","94.872","0.007","90","","1138.6","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(2-Hydroxymethylphenylimino)methyl]phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","CI6329","Ersanlı, Cem Cüneyt; Odabaşoǧlu, Mustafa; Albayrak, Çiǧdem; Erdönmez, Ahmet","2-[2-(Hydroxymethyl)phenyliminomethyl]phenol","Acta Crystallographica Section E","2004","60","2","o264","o266","10.1107/S1600536804001321","","","0.71073","MoKα","","0.088","0.044","","","0.098","0.108","","","","","","0.887","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2203170","7.0862","0.0007","22.547","0.002","14.8041","0.0014","90","","97.875","0.002","90","","2343","0.4","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triaqua(dihydrogen 1,2,4,5-benzenetetracarboxylate)(1,10- phenanthroline)cobalt(II) monohydrate","","- C22 H20 Co N2 O12 -","- C22 H20 Co N2 O12 -","- C88 H80 Co4 N8 O48 -","4","1","CI6330","Ming-De Ye; Hong-Ping Xiao; Ya-Qian Cheng; Mao-Lin Hu","Triaqua(dihydrogen 1,2,4,5-benzenetetracarboxylato)(1,10-phenanthroline)cobalt(II) monohydrate","Acta Crystallographica Section E","2004","60","2","m219","m221","10.1107/S1600536804001229","","","0.71073","MoKα","","0.0555","0.0518","","","0.1201","0.1223","","","","","","1.173","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2203171","9.8702","0.0005","10.0063","0.0005","12.6434","0.0006","101.436","0.001","103.466","0.001","95.981","0.001","1175.37","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trifluoromethanesulfonic acid 2-(2,2,2-trifluoroacetylamino)pyridin-3-yl ester","","- C8 H4 F6 N2 O4 S -","- C8 H4 F6 N2 O4 S -","- C32 H16 F24 N8 O16 S4 -","4","2","CI6333","Huang, Xianghong; Liu, Haitao; Hu, Xiaobo; Ng, Seik Weng","2-(2,2,2-Trifluoroacetylamino)pyridin-3-yl trifluoromethanesulfonate","Acta Crystallographica Section E","2004","60","2","o308","o309","10.1107/S1600536804001679","","","0.71073","MoKα","","0.037","0.032","","","0.083","0.087","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203172","8.8812","0.0003","5.8066","0.0002","11.528","0.0005","90","","111.583","0.001","90","","552.81","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl phenylsulfonylacetate","","- C10 H12 O4 S -","- C10 H12 O4 S -","- C20 H24 O8 S2 -","2","1","CI6334","Ding, Jin-Chang; Su, Wei-Ke; Wu, Hua-Yue; Liu, Miao-Chang; Ng, Seik Weng","Ethyl phenylsulfonylacetate","Acta Crystallographica Section E","2004","60","2","o310","o311","10.1107/S1600536804001680","","","0.71073","MoKα","","0.039","0.038","","","0.097","0.098","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203173","10.7252","0.0009","10.7252","0.0009","8.9854","0.0008","90","","90","","120","","895.12","0.13","293","0.3","293","0.3","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Scandium Formate","","","- C3 H3 O6 Sc -","- C3 H3 O6 Sc -","- C18 H18 O36 Sc6 -","6","0.166667","CV6256","Ilyukhin, Andrey B.; Petrosyants, Svetlana P.","The rhombohedral polymorph of scandium formate","Acta Crystallographica Section E","2004","60","2","m151","m152","10.1107/S1600536803029738","","","0.71073","MoKα","","0.0317","0.0267","","","0.0745","0.078","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203174","8.5131","0.0006","31.862","0.002","12.1757","0.0006","90","","90","","90","","3302.6","0.4","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C144 H128 N48 O16 -","8","1","CV6257","Dilovan S. Cati; Helen Stoeckli-Evans","An orthorhombic polymorph of <i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)pyrazine-2,3-dicarboxamide","Acta Crystallographica Section E","2004","60","2","o210","o212","10.1107/S160053680400008X","","","0.71073","MoKα","","0.0437","0.0315","","","0.0744","0.0785","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203175","12.2116","0.0005","12.409","0.0006","17.2983","0.0009","90","","107.526","0.002","90","","2499.6","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Cl4 P2 S2 Zr2 -","- C54 H54 Cl4 P2 S2 Zr2 -","- C108 H108 Cl8 P4 S4 Zr4 -","2","0.5","CV6259","Ortega, Esteban; Pirio, Nadine; Meunier, Philippe; Richard, Philippe","Bis[μ-4-(diphenylphosphino)but-3-ene-2-thiolato]bis[bis(η^5^-cyclopentadienyl)zirconium(IV)] dichloromethane disolvate","Acta Crystallographica Section E","2004","60","2","m201","m203","10.1107/S1600536804000959","","","0.71073","MoKα","","","0.0377","","","","0.0918","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203176","6.442","0.002","15.681","0.005","12.12","0.004","90","","94.579","0.006","90","","1220.4","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-benzylpiperidin-4-ylideneacetonitrile","1-benzylpiperidin-4-ylideneacetonitrile","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","CV6261","Miaoyu Li; Caixia Yin; Pin Yang","(1-Benzylpiperidin-4-ylidene)acetonitrile","Acta Crystallographica Section E","2004","60","2","o250","o251","10.1107/S1600536804001035","","","0.71073","MoKα","","0.1309","0.0652","","","0.1311","0.1581","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203177","8.1635","0.0008","10.0366","0.0009","10.6641","0.001","67.34","0.007","87.008","0.008","76.74","0.007","784.17","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","","Methyl 6-amino-5-cyano-2-methoxycarbonylmethyl-4-phenyl-4H-pyran-3-carboxylate","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C34 H32 N4 O10 -","2","1","CV6267","Sema Öztürk; Mehmet Akkurt; Edmont Stoyanov; Orhan Büyükgüngör; Dieter Heber","Methyl 6-amino-5-cyano-2-methoxycarbonylmethyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section E","2004","60","2","o283","o284","10.1107/S1600536804001497","","","0.71073","MoKα","","0.052","0.0375","","","0.1038","0.1084","","","","","","1.05","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203178","8.83","0.002","11.932","0.002","14.888","0.003","90.94","0.02","105.58","0.02","92.12","0.02","1509.4","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,2-bis-(9-carbazol-9-ylmethylene)-3,4-diphenylcyclobutane","","- C42 H30 N2 -","- C42 H30 N2 -","- C84 H60 N4 -","2","1","CV6268","Zubatyuk, Roman I.; Kharanenko, Oleg I.; Shishkin, Oleg V.; Dulenko, Vladimir I.; Kibalny, Alexander V.","1,2-Bis(carbazol-9-ylmethylene)-3,4-diphenylcyclobutane","Acta Crystallographica Section E","2004","60","2","o301","o302","10.1107/S1600536804001813","","","0.71073","MoKα","","0.1801","0.0523","","","0.1029","0.1275","","","","","","0.957","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203179","8.437","0.002","6.853","0.001","16.011","0.003","90","","94.88","0.02","90","","922.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Cyclohexylmethoxymethyl-5-[2-hydroxy-1-(hydroxymethyl)ethylamino]cyclohexane- 1,2,3,4-tetraol","","- C17 H33 N O7 -","- C17 H33 N O7 -","- C34 H66 N2 O14 -","2","1","DN6110","Zhang Hong; Kui-Wu Wang; Yuan Jiang Pan","1-Cyclohexylmethoxymethyl-5-[2-hydroxy-1-(hydroxymethyl)ethylamino]cyclohexane-1,2,3,4-tetraol","Acta Crystallographica Section E","2004","60","2","o299","o300","10.1107/S1600536804001564","","","0.71073","MoKα","","0.0446","0.0357","","","0.0847","0.0875","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203180","23.548","0.006","9.596","0.002","15.623","0.003","90","","115.505","0.006","90","","3186.2","1.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Cl2 Ir O P2 -","- C37 H31 Cl2 Ir O P2 -","- C148 H124 Cl8 Ir4 O4 P8 -","4","0.5","DN6111","Jonathan P. H. Charmant; Nicholas C. Norman; A. Guy Orpen; George R. Whittell","Carbonyldichlorohydridobis(triphenylphosphine)iridium(III)","Acta Crystallographica Section E","2004","60","2","m162","m163","10.1107/S1600536804000479","","","0.71073","MoKα","","0.0985","0.0561","","","0.1338","0.1531","","","","","","0.936","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203181","6.472","0.002","13.156","0.004","8.598","0.003","90","","97.157","0.005","90","","726.4","0.4","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H19 Cl2 Ir O P2 -","- C7 H19 Cl2 Ir O P2 -","- C14 H38 Cl4 Ir2 O2 P4 -","2","1","DN6112","Jonathan P. H. Charmant; Nicholas C. Norman; A. Guy Orpen; George R. Whittell","Carbonyldichlorohydridobis(trimethylphosphine)iridium(III)","Acta Crystallographica Section E","2004","60","2","m164","m165","10.1107/S1600536804000480","","","0.71073","MoKα","","0.0454","0.0424","","","0.0975","0.0997","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203182","10.6039","0.0011","12.9904","0.0014","18.1168","0.0014","90","","90","","90","","2495.6","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","5-phenyldiazenyl-6-methoxysalicylaldehyde","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","DN6114","Ersanlı, Cem Cüneyt; Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Erdönmez, Ahmet","6-Methoxy-5-(phenyldiazenyl)salicylaldehyde","Acta Crystallographica Section E","2004","60","2","o230","o231","10.1107/S1600536804000819","","","0.71073","MoKα","","0.0668","0.0422","","","0.0922","0.0995","","","","","","0.841","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203183","6.929","0.002","7.854","0.001","14.262","0.002","77.69","0.01","88.09","0.01","85.48","0.02","755.8","0.3","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H3 Cl O3 -","- C8 H3 Cl O3 -","- C32 H12 Cl4 O12 -","4","2","DN6115","Zaisu Jin; Wenxi Wang; Weixiao Hu; Zhongyu Yang; Hongwei Chen; Richeng Xuan","5-Chloro-2-benzofuran-1,3-dione","Acta Crystallographica Section E","2004","60","2","o239","o240","10.1107/S1600536804001230","","","0.71073","MoKα","","0.0738","0.0362","","","0.0887","0.1036","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203184","9.268","0.009","10.15","0.01","13.115","0.013","93.919","0.008","101.078","0.008","95.278","0.008","1201","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","1","DN6116","Atalay, Şehriman; Çoruh, Ufuk; Akdemir, Nesuhi; Aǧar, Erbil","C—H···π interactions in 4,5-bis(2-isopropyl-5-methylphenoxy)phthalonitrile","Acta Crystallographica Section E","2004","60","2","o303","o305","10.1107/S1600536804001758","","","0.71073","MoKα","","0.097","0.0438","","","0.1061","0.1199","","","","","","0.872","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203185","8.425","0.0003","10.29","0.0003","13.139","0.0005","71.432","0.0012","82.667","0.0012","89.769","0.0014","1070.13","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Gallium 8-hydroxyquinoline","Tris(quinolin-8-olato)gallium(III)","","- C27 H18 Ga N3 O3 -","- C27 H18 Ga N3 O3 -","- C54 H36 Ga2 N6 O6 -","2","1","FL6074","Rajeswaran, Manju; Jarikov, Viktor V.","Tris(quinolin-8-olato)gallium(III)","Acta Crystallographica Section E","2004","60","2","m217","m218","10.1107/S1600536804001242","","","0.71073","MoKα","","0.1296","0.0501","","","0.0945","0.1168","","","","","","0.891","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203186","4.1071","0.0003","12.855","0.001","15.296","0.001","90","","90","","90","","807.58","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tribromoresorcinol","","","- C6 H3 Br3 O2 -","- C6 H3 Br3 O2 -","- C24 H12 Br12 O8 -","4","1","FL6075","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","1,3,5-Tribromo-2,6-dihydroxybenzene","Acta Crystallographica Section E","2004","60","2","o222","o224","10.1107/S1600536804000571","","","0.71073","MoKα","","0.0658","0.0375","","","0.0515","0.0564","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203187","7.8342","0.0006","8.3781","0.0007","10.6208","0.0009","70.507","0.005","75.84","0.005","87.002","0.005","636.85","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 O10 U -","- C9 H8 O10 U -","- C18 H16 O20 U2 -","2","1","FL6076","Borkowski, Lauren A.; Cahill, Christopher L.","A novel uranium-containing coordination polymer: poly[[aqua(benzene-1,3,5-tricarboxylato)dioxouranium(VI)] monohydrate]","Acta Crystallographica Section E","2004","60","2","m198","m200","10.1107/S1600536804000765","","","0.71073","MoKα","","0.0487","0.0389","","","0.0685","0.0706","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203188","13.174","0.005","14.061","0.005","15.905","0.005","100.197","0.005","111.189","0.005","99.505","0.005","2618","1.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","bis[N,N'-bis(pyridin-2-ylmethyl)pyrazine-2,3-dicarboxamide]cobalt(III) tris(perchlorate) acetonitrile 3.5-solvate","","- C43 H42.5 Cl3 Co N15.5 O16 -","- C43 H42.5 Cl3 Co N15.5 O16 -","- C86 H85 Cl6 Co2 N31 O32 -","2","1","FL6077","Dilovan S. Cati; Helen Stoeckli-Evans","A mononuclear cobalt(III) complex of the ligand <i>N,N</i>'-bis(pyridin-2-ylmethyl)pyrazine-2,3-dicarboxamide","Acta Crystallographica Section E","2004","60","2","m174","m176","10.1107/S1600536804000431","","","0.71069","MoKα","","0.1481","0.0477","","","0.0899","0.1195","","","","","","0.988","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2203189","6.9905","0.0008","9.8696","0.0011","23.782","0.002","91.431","0.013","93.524","0.013","102.678","0.014","1596.5","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chloro-bis[(2,2':6,2""-terpyridine-κ^3^N)copper(II)] diperchlorate","","- C30 H22 Cl4 Cu2 N6 O8 -","- C30 H22 Cl4 Cu2 N6 O8 -","- C60 H44 Cl8 Cu4 N12 O16 -","2","1","FL6078","Gilles Gasser; Gaël Labat; Helen Stoeckli-Evans","Di-μ-chloro-bis[(2,2':6,2''-terpyridine-κ^3^<i>N</i>)copper(II)] diperchlorate: the triclinic polymorph","Acta Crystallographica Section E","2004","60","2","m244","m246","10.1107/S1600536804000443","","","0.71073","MoKα","","0.1491","0.068","","","0.1693","0.185","","","","","","0.971","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203190","8.878","0.002","17.533","0.004","14.398","0.003","90","","105.6","0.03","90","","2158.6","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-phenylselenolato-bis[chloro(triphenylphosphine)palladium(II)]","","- C48 H40 Cl2 P2 Pd2 Se2 -","- C48 H40 Cl2 P2 Pd2 Se2 -","- C96 H80 Cl4 P4 Pd4 Se4 -","2","0.5","FL6080","Hannu-Kuure, Milja S.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgren, Markku","Di-μ-phenylselenolato-bis[chloro(triphenylphosphine)palladium(II)]","Acta Crystallographica Section E","2004","60","2","m214","m216","10.1107/S1600536804000960","","","0.71073","MoKα","","0.05","0.0384","","","0.0874","0.0935","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203191","10.278","0.012","10.885","0.013","17.55","0.02","90","","92.224","0.017","90","","1962","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-2-bromobenzoato-κ^2^O,O')bis[(N,N'-dimethylformamide)copper(II)]","","- C34 H30 Br4 Cu2 N2 O10 -","- C34 H30 Br4 Cu2 N2 O10 -","- C68 H60 Br8 Cu4 N4 O20 -","2","0.5","HB6008","Yu-Liang Zhang; Su-Wen Chen; Wei-Sheng Liu; Da-Qi Wang","Tetrakis(μ-2-bromobenzoato-κ^2^<i>O,O</i>')bis[(<i>N,N</i>'-dimethylformamide)copper(II)], a new binuclear complex containing a metal‒metal bond","Acta Crystallographica Section E","2004","60","2","m196","m197","10.1107/S1600536804000649","","","0.71073","MoKα","","0.1126","0.0489","","","0.1066","0.1228","","","","","","0.855","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203192","23.714","0.001","8.0928","0.0004","20.012","0.001","90","","110.325","0.001","90","","3601.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diethyl phenyl(4-pyridylcarbonylamino)methylphosphonate","","- C17 H21 N2 O4 P -","- C17 H21 N2 O4 P -","- C136 H168 N16 O32 P8 -","8","1","HB6010","Fang, Hua; Wang, Jian-Feng; Liu, Xiao-Xia; Zhao, Yu-Fen; Ng, Seik Weng","Diethyl phenyl(4-pyridylcarbonylamino)methylphosphonate","Acta Crystallographica Section E","2004","60","2","o153","o154","10.1107/S1600536803029271","","","0.71073","MoKα","","0.079","0.072","","","0.2","0.207","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203193","9.7216","0.0019","16.113","0.003","17.339","0.004","90","","91.88","0.03","90","","2714.6","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[tris(2-aminoethyl)amine]manganese(II) tetraantimony heptasulfide hemihydrate, [Mn(dien)~2~][Sb~4~S~7~].0.5H~2~0","","- C8 H27 Mn N6 O0.5 S7 Sb4 -","- C8 H26 Mn N6 O0.5 S7 Sb4 -","- C32 H104 Mn4 N24 O2 S28 Sb16 -","4","1","HG6011","Schaefer, Michael; Kurowski, Daniel; Pfitzner, Arno; Näther, Christian; Bensch, Wolfgang","[Tris(2-aminoethyl)amine]manganese(II) heptasulfidotetraantimony(III) hemihydrate","Acta Crystallographica Section E","2004","60","2","m183","m185","10.1107/S1600536803027983","","","0.71073","MoKα","","0.0327","0.0281","","","0.081","0.0832","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203194","6.1396","0.0004","13.6929","0.0012","20.4225","0.0013","90","","97.51","0.005","90","","1702.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 N2 O -","- C23 H13 N2 O -","- C92 H52 N8 O4 -","4","1","HG6014","Petek, Hande; Işık, Şamil; Akdemir, Nesuhi; Kantar, Cihan; Aǧar, Erbil; Şenel, İsmet","4-(Anthracen-9-ylmethoxy)phthalonitrile","Acta Crystallographica Section E","2004","60","2","o256","o257","10.1107/S1600536804000285","","","0.71073","MoKα","","0.0736","0.052","","","0.1389","0.1469","","","","","","0.959","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203195","7.4924","0.0005","10.4589","0.0007","12.1369","0.0008","90","","107.393","0.001","90","","907.59","0.1","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetraaquabis(4-pyridylthioactetato)nickel(II)","","- C14 H20 N2 Ni O8 S2 -","- C14 H20 N2 Ni O8 S2 -","- C28 H40 N4 Ni2 O16 S4 -","2","0.5","HG6016","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","Tetraaquabis(4-pyridylthioacetato)nickel(II)","Acta Crystallographica Section E","2004","60","2","m135","m136","10.1107/S1600536803029039","","","0.71073","MoKα","","0.029","0.026","","","0.07","0.072","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203196","16.391","0.002","8.54","0.001","10.4825","0.001","90","","90","","90","","1467.3","0.3","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","mer-trichlorotris(dimethyl sulfide)ruthenium(III)","","- C6 H18 Cl3 Ru S3 -","- C6 H18 Cl3 Ru S3 -","- C24 H72 Cl12 Ru4 S12 -","4","1","HG6017","Bolton, Peter R.; Levason, William; Reid, Gillian; Webster, Michael","<i>mer</i>-Trichlorotris(dimethyl sulfide)ruthenium(III)","Acta Crystallographica Section E","2004","60","2","m207","m208","10.1107/S1600536804001047","","","0.71073","MoKα","","0.0359","0.0291","","","0.0611","0.0642","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203197","9.209","0.003","10.182","0.003","19.158","0.005","90","","103.507","0.005","90","","1746.7","0.9","293","2","","","","","","","","","","6","P 1 n 1","P -2yac","7","","Poly[[silver(I)-di-μ-1,5-bis(phenylsulfanyl)pentane] tetrafluoroborate]","","- C34 H40 Ag B F4 S4 -","- C34 H40 Ag B F4 S4 -","- C68 H80 Ag2 B2 F8 S8 -","2","1","LH6148","Miao Du; Xiao-Jun Zhao","The two-dimensional coordination polymer poly[[silver(I)-di-μ-1,5-bis(phenylsulfanyl)pentane] tetrafluoroborate]","Acta Crystallographica Section E","2004","60","2","m193","m195","10.1107/S1600536803028605","","","0.71073","MoKα","","0.0369","0.0298","","","0.0611","0.0643","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2203198","11.333","0.001","6.474","0.001","10.181","0.001","90","","112","0.01","90","","692.59","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-7-azabicyclo[4.2.0]octan-8-one","","- C7 H11 N O -","- C7 H11 N O -","- C28 H44 N4 O4 -","4","1","LH6150","Argay, Gyula; Fábián, László; Kálmán, Alajos; Bernáth, Gábor; Cs. Gyarmati, Zsuzsanna","<i>cis</i>-7-Azabicyclo[4.2.0]octan-8-one","Acta Crystallographica Section E","2004","60","2","o170","o172","10.1107/S1600536803027958","","","1.5418","CuKα","","0.056","0.0521","","","0.1824","0.1853","","","","","","1.304","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203199","6.683","0.001","9.166","0.001","12.696","0.002","90","","90","","90","","777.71","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-8-azabicyclo[5.2.0]nonan-9-one","","- C8 H13 N O -","- C8 H13 N O -","- C32 H52 N4 O4 -","4","1","LH6151","Argay, Gyula; Kálmán, Alajos; Bernáth, Gábor; Cs. Gyarmati, Zsuzsanna","<i>cis</i>-8-Azabicyclo[5.2.0]nonan-9-one","Acta Crystallographica Section E","2004","60","2","o173","o175","10.1107/S160053680302796X","","","1.5418","CUkα","","0.0714","0.066","","","0.2144","0.227","","","","","","1.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203200","8.92","0.007","12.053","0.006","15.658","0.006","90","","101.7","0.04","90","","1648.5","1.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-2-propenoic acid","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","LH6154","Langer, Vratislav; Li, Shiming; Lundquist, Knut; Stomberg, Rolf","(<i>Z</i>)-3-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)-2-propenoic acid","Acta Crystallographica Section E","2004","60","2","o165","o167","10.1107/S1600536803029519","","","0.71069","MoKα","","0.0688","0.0345","","","0.0859","0.1012","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203201","6.492","0.001","9.857","0.002","28.154","0.006","90","","90","","90","","1801.6","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","catena-Poly[[trimethyltin(IV)]-μ-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)- 3-phenylpropionato-κ^2^O:O']","catena-Poly[[trimethyltin(IV)]-μ-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)- 3-phenylpropionato-κ^2^O:O']","","- C16 H19 N O4 Sn -","- C16 H19 N O4 Sn -","- C64 H76 N4 O16 Sn4 -","4","1","LH6155","Parvez, Masood; Ahmed, Sajjad; Ali, Saqib; Bhatti, Muhammad H.; Mazhar, Muhammad","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-(2,5-dioxo-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)-3-phenylpropionato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","2","m190","m192","10.1107/S1600536804000789","","","0.71073","MoKα","","0.025","0.023","","","0.059","0.06","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203202","17.667","0.003","6.708","0.002","14.425","0.003","90","","116.608","0.015","90","","1528.5","0.6","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,6-dichloro-5-nitropyrimidine","","- C4 H2 Cl2 N4 O2 -","- C4 H2 Cl2 N4 O2 -","- C32 H16 Cl16 N32 O16 -","8","1","LH6156","Declan McKeveney; Ronald J. Quinn; Christian O. Janssen; Peter C. Healy","4-Amino-2,6-dichloro-5-nitropyrimidine","Acta Crystallographica Section E","2004","60","2","o241","o243","10.1107/S160053680400100X","","","0.7107","MoKα","","0.0712","0.0473","","","0.1289","0.1441","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203203","13.4832","0.0011","13.4832","0.0011","13.4832","0.0011","90","","90","","90","","2451.2","0.3","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H36 Cl2 Cu2 P4 -","- C12 H36 Cl2 Cu2 P4 -","- C48 H144 Cl8 Cu8 P16 -","4","0.333333","LH6159","Margraf, Günter; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","The absolute structure of tetrakis(trimethylphosphine)copper(I) dichlorocopper(I)","Acta Crystallographica Section E","2004","60","2","m186","m187","10.1107/S1600536804000790","","","0.71073","MoKα","","0.0328","0.0307","","","0.0788","0.0798","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203204","8.335","0.0009","9.8193","0.0008","14.8736","0.0014","89.948","0.006","74.391","0.009","68.276","0.005","1082.51","0.19","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 As O3 Si -","- C24 H21 As O3 Si -","- C48 H42 As2 O6 Si2 -","2","1","LH6160","Ferguson, George; O'Leary, Brian J.; Spalding, Trevor R.","The arsenic(V) compound PhAs(O)(OH)(OSiPh~3~)","Acta Crystallographica Section E","2004","60","2","m222","m224","10.1107/S1600536804001217","","","0.71073","MoKα","","0.07","0.0352","","","0.0733","0.0795","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203205","21.134","0.004","7.639","0.0015","14.384","0.003","90","","98.625","0.007","90","","2295.9","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[PV2+]2[Br-]^.^MeOH'","N,N'-Dibenzyl-4,7-phenanthrolinium dibromide methanol solvate","","- C27 H26 Br2 N2 O -","- C27 H26 Br2 N2 O -","- C108 H104 Br8 N8 O4 -","4","1","NA6279","Marilyn M. Olmstead; Jeff T. Suri; Bakthan Singaram","<i>N</i>,<i>N</i>'-Dibenzyl-4,7-phenanthrolinium dibromide methanol solvate","Acta Crystallographica Section E","2004","60","2","o275","o277","10.1107/S1600536804001370","","","0.71073","MoKα","","0.0334","0.0272","","","0.0685","0.0709","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203206","16.376","0.003","13.894","0.003","9.0289","0.0015","90","","103.723","0.004","90","","1995.7","0.7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[2-(Hydroxymethoxyboryl)benzyl]-4,7-phenanthrolinium bromide methanol solvate","","- C21 H22 B Br N2 O3 -","- C21 H22 B Br N2 O3 -","- C84 H88 B4 Br4 N8 O12 -","4","1","NA6280","Marilyn M. Olmstead; Jeff T. Suri; Bakthan Singaram","<i>N</i>-[2-(<i>H</i>ydroxymethoxyboryl)benzyl]-4,7-phenanthrolinium bromide methanol solvate","Acta Crystallographica Section E","2004","60","2","o278","o280","10.1107/S1600536804001369","","","0.71073","MoKα","","0.0677","0.042","","","0.0901","0.0962","","","","","","1.119","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203207","6.6521","0.0011","7.948","0.002","10.848","0.002","90","","90","","90","","573.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-Nitrosoazetidine-2-carboxylic acid","","- C4 H6 N2 O3 -","- C4 H6 N2 O3 -","- C16 H24 N8 O12 -","4","1","NA6283","Maria Gdaniec; Maria J. Milewska; Tadeusz Połoński","(<i>S</i>)-<i>N</i>-Nitrosoazetidine-2-carboxylic acid","Acta Crystallographica Section E","2004","60","2","o181","o183","10.1107/S1600536804000327","","","1.54178","CuKα","","0.0376","0.035","","","0.098","0.1002","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203208","7.5058","0.0007","8.5766","0.0008","8.9156","0.0008","102.551","0.007","110.398","0.007","99.698","0.007","506.04","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 N2 Ni O10 -","- C16 H30 N2 Ni O10 -","- C16 H30 N2 Ni O10 -","1","0.5","NA6286","Yeşilel, Okan Zafer; Bulut, Ahmet; Uçar, İbrahim; İçbudak, Hasan; Ölmez, Halis; Büyükgüngör, Orhan","Bis(triethanolamine-κ^3^<i>N,O,O</i>')nickel(II) squarate","Acta Crystallographica Section E","2004","60","2","m228","m230","10.1107/S1600536804001503","","","0.71073","MoKα","","0.0339","0.0323","","","0.0886","0.0894","","","","","","1.078","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203209","7.978","0.004","8.593","0.004","7.797","0.008","111.01","0.06","104.91","0.06","61.65","0.03","436.7","0.6","297.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","- C8 H24 Cl2 Cu N4 O8 -","1","0.5","NA6287","Akitsu, Takashiro; Einaga, Yasuaki","Bis(<i>N,N</i>-dimethylethylenediamine-κ^2^<i>N,N</i>')bis(perchlorato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2004","60","2","m234","m236","10.1107/S1600536804001461","","","0.7107","MoKα","","","0.031","","","","0.1133","","","","","","0.908","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203210","13.1166","0.0009","12.0736","0.0012","20.9806","0.0015","90","","104.454","0.005","90","","3217.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Methoxy-1-naphthylmethoxy)phthalonitrile","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","2","NA6289","Yavuz Köysal; Şamil Işık; Nesuhi Akdemir; Erbil Ag̃ar; Cihan Kantar","4-(2-Methoxy-1-naphthylmethoxy)phthalonitrile","Acta Crystallographica Section E","2004","60","2","o285","o286","10.1107/S1600536804001473","","","0.71073","MoKα","","0.1456","0.0379","","","0.0702","0.0874","","","","","","0.68","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203211","7.5839","0.0004","9.7257","0.0006","11.9698","0.0007","76.927","0.001","87.388","0.001","79.807","0.001","846.41","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","μ-Benzene-1,2,4,5-tetracarboxylato-bis[triaqua(2,2'-bipyridine)nickel(II)] dihydrate","","- C30 H34 N4 Ni2 O16 -","- C30 H34 N4 Ni2 O16 -","- C30 H34 N4 Ni2 O16 -","1","0.5","NG6008","Xin-Hua Li; Hong-Ping Xiao; Mao-Lin Hu","μ-Benzene-1,2,4,5-tetracarboxylato-bis[triaqua(2,2'-bipyridine)nickel(II)] dihydrate","Acta Crystallographica Section E","2004","60","2","m242","m243","10.1107/S1600536804000807","","","0.71073","MoKα","","0.03","0.029","","","0.077","0.078","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203212","14.791","0.002","6.939","0.001","15.424","0.003","90","","90","","90","","1583","0.4","298.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H18 Co N2 O6 -","- C14 H18 Co N2 O6 -","- C56 H72 Co4 N8 O24 -","4","0.5","OB6330","Akitsu, Takashiro; Iwakura, Izumi; Tanaka, Hirotaka; Ikeno, Taketo; Einaga, Yasuaki; Yamada, Tohru","[<i>N,N</i>'-Bis(2-methoxycarbonyl-3-oxobutylidene)ethylenediaminato-κ^4^<i>O,N,N</i>',<i>O</i>']cobalt(II)","Acta Crystallographica Section E","2004","60","2","m149","m150","10.1107/S1600536803029520","","","0.7107","MoKα","","","0.0408","","","","0.135","","","","","","1.054","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2203213","10.5582","0.0005","19.5961","0.0008","24.003","0.0011","90","","90","","90","","4966.2","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Triphenylphenacylphosphonium hydrogenmaleate","Benzoylmethyltriphenylphosphonium hydrogenmaleate","","- C30 H25 O5 P -","- C30 H25 O5 P -","- C240 H200 O40 P8 -","8","1","OB6335","Mahimaidoss Baby Mariyatra; Elinor C. Spencer; Krishanaswamy Panchanatheswaran; Judith A.K. Howard","Benzoylmethyltriphenylphosphonium hydrogen maleate: supramolecular layer formation due to C—H···O interactions","Acta Crystallographica Section E","2004","60","2","o162","o164","10.1107/S1600536803029404","","","0.71073","MoKα","","0.0622","0.0407","","","0.0936","0.1061","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203214","11.722","0.002","16.945","0.003","9.898","0.002","90","","90","","90","","1966","0.6","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","3-Methyl-3-Pyrazolin-5-one","3-Methyl-3-Pyrazolin-5-one","","- C4 H6 N2 O -","- C4 H6 N2 O -","- C64 H96 N32 O16 -","16","1","OB6336","Zhenfeng Zhang; Shuo Jin; Siqian Wang; Bo Liu; Jianping Guo","3-Methyl-3-pyrazolin-5-one","Acta Crystallographica Section E","2004","60","2","o315","o316","10.1107/S160053680302974X","","","0.71073","MoKα","","0.045","0.0427","","","0.1137","0.1152","","","","","","1.163","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203215","27.2961","0.0009","14.4293","0.0017","7.568","0.004","90","","90","","90","","2980.8","1.6","293","","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","p-[p^'^-methylphenylazo]-o-allylphenol monohydrate","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","OB6337","Karadayı, Nevzat; Turgut, Günseli; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","4-(4-Methylphenylazo)-2-allylphenol monohydrate","Acta Crystallographica Section E","2004","60","2","o176","o178","10.1107/S1600536803029751","","","0.71073","MoKα","","0.2183","0.0685","","","0.1482","0.1799","","","","","","0.882","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203216","10.695","0.0008","12.3204","0.001","14.8486","0.0012","90","","101.144","0.006","90","","1919.7","0.3","291","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(3-Chlorophenyl)diazenyl]-6-methoxy- 2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one","","- C18 H20 Cl N3 O5 -","- C18 H20 Cl N3 O5 -","- C72 H80 Cl4 N12 O20 -","4","1","OB6339","Kos̨ar, Bas̨ak; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","4-[(3-Chlorophenyl)diazenyl]-6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section E","2004","60","2","o190","o192","10.1107/S1600536804000108","","","0.71073","MoKα","","0.0657","0.0427","","","0.1077","0.1161","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203217","17.4603","0.0017","10.7156","0.0012","10.6495","0.0009","90","","94.83","0.007","90","","1985.4","0.3","293","2","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-methylphenyl)diazenyl]-6-methoxy-2-{[tris(hydroxymethyl)methyl] aminomethylene}cyclohexa-3,5-dien-1(2H)-one","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","OB6342","Kos̨ar, Bas̨ak; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","4-[(4-Methylphenyl)diazenyl]-6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section E","2004","60","2","o246","o247","10.1107/S1600536804001102","","","0.71073","MoKα","","0.1767","0.0711","","","0.1368","0.1729","","","","","","0.941","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203218","20.149","0.003","10.8606","0.0008","7.6424","0.001","90","","81.892","0.011","90","","1655.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Benzyloxyphenoxy)phthalonitrile","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C84 H56 N8 O8 -","4","1","OB6345","Karadayı, Nevzat; Is̨ık, S̨amil; Akdemir, Nesuhi; Ağar, Erbil; Özil, Musa","4-(4-Benzyloxyphenoxy)phthalonitrile","Acta Crystallographica Section E","2004","60","2","o254","o255","10.1107/S160053680400114X","","","0.71073","MoKα","","0.1181","0.0565","","","0.1631","0.1788","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203219","6.228","0.001","9.482","0.002","10.76","0.002","77.66","0.03","87.74","0.03","74.47","0.03","598","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","N,N,N',N'-Tetrakis(2-pyridylmethyl)-1,2-diaminoethane","","- C26 H28 N6 -","- C26 H28 N6 -","- C26 H28 N6 -","1","0.5","OB6346","Fujihara, Takashi; Saito, Miki; Nagasawa, Akira","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)-1,2-diaminoethane: a multidentate ligand","Acta Crystallographica Section E","2004","60","2","o262","o263","10.1107/S1600536804001254","","","0.71073","MoKα","","0.0865","0.0536","","","0.1247","0.1417","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203220","21.619","0.003","13.656","0.003","23.517","0.004","90","","103.296","0.014","90","","6757","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[tris(2,2'-bipyridyl-κ^2^N,N')iron(II)] cyclo-tetravanadate decahydrate","","- C60 H68 Fe2 N12 O22 V4 -","- C60 H48 Fe2 N12 O22 V4 -","- C240 H192 Fe8 N48 O88 V16 -","4","0.5","OM6193","Ming-Hua Huang; Li-Hua Bi; Shao-Jun Dong","Bis[tris(2,2'-bipyridyl-κ^2^<i>N,N</i>')iron(II)] <i>cyclo</i>-tetravanadate decahydrate","Acta Crystallographica Section E","2004","60","2","m153","m155","10.1107/S1600536803029532","","","0.71073","MoKα","","0.1116","0.0741","","","0.195","0.2111","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203221","9.1464","0.0005","18.6955","0.001","16.4401","0.001","90","","95.806","0.004","90","","2796.8","0.3","297","1","297","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","rac-[2,2'-Bis(1-ethylbenzimidazol-2-yl-κN^3^)biphenyl]dichloronickel(II)","","- C30 H26 Cl2 N4 Ni -","- C30 H26 Cl2 N4 Ni -","- C120 H104 Cl8 N16 Ni4 -","4","1","OM6201","Robert T. Stibrany; Michael G. Matturro; Stephen Zushma; Abhimanyu O. Patil","<i>rac</i>-[2,2'-Bis(1-ethylbenzimidazol-2-yl-κ<i>N</i>^3^)biphenyl]dichloronickel(II)","Acta Crystallographica Section E","2004","60","2","m188","m189","10.1107/S160053680400056X","","","0.71073","MoKα","","0.1075","0.059","","","0.1403","0.169","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203222","6.3657","0.0016","6.3657","0.0016","52.125","0.013","90","","90","","90","","2112.2","0.9","297","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2,5,6-trichloro-4-iodoisophthalonitrile","","- C8 Cl3 I N2 -","- C8 Cl3 I N2 -","- C64 Cl24 I8 N16 -","8","1","OM6205","Britton, Doyle","2,5,6-Trichloro-4-iodoisophthalonitrile","Acta Crystallographica Section E","2004","60","2","o184","o186","10.1107/S1600536804000133","","","0.71073","MoKα","","0.069","0.05","","","0.092","0.095","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2203223","17.795","0.004","5.394","0.002","12.431","0.002","90","","100.65","0.01","90","","1172.7","0.5","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","OM6206","Zi-Qiang Hu; Duan-Jun Xu; Yuan-Zhi Xu","(<i>S</i>)-Alanine‒(<i>S</i>)-mandelic acid (1/1)","Acta Crystallographica Section E","2004","60","2","o269","o271","10.1107/S160053680400145X","","","0.71073","MoKα","","0.063","0.054","","","0.146","0.154","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203224","16.866","0.003","12.704","0.005","10.41","0.002","90","","90","","90","","2230.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-chlorobenzylidene)-amino]-phenol","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","RN6011","Kazak, Canan; Aygün, Muhittin; Turgut, Günseli; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan; Kahveci, Nermin","4-[(4-Chlorobenzylidene)amino]phenol","Acta Crystallographica Section E","2004","60","2","o252","o253","10.1107/S1600536804001138","","","0.71069","MoKα","","0.0888","0.0629","","","0.1556","0.193","","","","","","1.107","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203226","34.738","0.004","9.5934","0.0012","10.0715","0.0019","90.278","0.012","93.993","0.011","90.021","0.01","3348.2","0.9","248","","","","","","","","","","","4","P 1","P 1","1","","","","- C79 H83 N O10 -","- C79 H83 N O10 -","- C158 H166 N2 O20 -","2","2","SU6066","Ohba, Shigeru; Miyamoto, Hisakazu","(<i>R,R</i>)-(‒)-<i>trans</i>-1,4-Dioxaspiro[4,4]nonane-2,3-diylbis(diphenylmethanol)‒<i>N</i>-allyl-<i>N</i>-propyl-3-oxocyclohexene-1-carboxamide (2/1)","Acta Crystallographica Section E","2004","60","2","o216","o218","10.1107/S1600536804000145","","","1.5418","CuKα","","","0.0768","","","","0.2223","","","","","","1.037","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203227","10.5196","0.0004","6.4129","0.0003","11.7201","0.0007","90","","114.107","0.002","90","","721.69","0.06","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C32 H28 O10 -","2","1","SU6068","Mughal, Robila K.; Pritchard, Robin G.; Davey, Roger J.","(2<i>S</i>)-[(2<i>S</i>)-2-Hydroxy-2-phenylethanoyloxy]phenylacetic acid","Acta Crystallographica Section E","2004","60","2","o232","o233","10.1107/S1600536804000741","","","0.71073","MoKα","","0.0588","0.0403","","","0.0893","0.0976","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203228","29.427","0.011","5.2611","0.0017","17.947","0.01","90","","116.2","0.02","90","","2493.1","1.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(phenylamino)sydno[3,4-a]quinoxaline","","- C15 H10 N4 O2 -","- C15 H10 N4 O2 -","- C120 H80 N32 O16 -","8","1","SU6069","Riddle, Gordon B.; Grossie, David A.; Turnbull, Kenneth","A new sydnone structure: 4-(phenylamino)sydno[3,4-<i>a</i>]quinoxaline","Acta Crystallographica Section E","2004","60","2","o258","o259","10.1107/S1600536804000777","","","0.71073","MoKα","","0.0674","0.0531","","","0.1256","0.1336","","","","","","1.058","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203229","7.723","0.007","14.255","0.001","22.53","0.002","90","","90","","90","","2480","2","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5-chloro-6-(2-fluorobenzoyl)-1,3-benzoxazol-2(3H)-one","","- C14 H7 Cl F N O3 -","- C14 H7 Cl F N O3 -","- C112 H56 Cl8 F8 N8 O24 -","8","1","SU6070","Abdullah Aydın; Tijen Önkol; Mehmet Akkurt; Orhan Büyükgüngör; Serdar Ünlü","5-Chloro-6-(2-fluorobenzoyl)-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2004","60","2","o244","o245","10.1107/S1600536804001011","","","0.71073","MoKα","","0.0637","0.0317","","","0.0683","0.0727","","","","","","0.858","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203230","22.1161","0.001","8.7361","0.0005","22.3793","0.001","90","","95.336","0.004","90","","4305.1","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Bis(2-phenylethyl)benzimidazolium-2-dithiocarboxylate","","- C24 H22 N2 S2 -","- C24 H22 N2 S2 -","- C192 H176 N16 S16 -","8","2","SU6072","Mehmet Akkurt; Sema Öztürk; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","1,3-Bis(2-phenylethyl)benzimidazolium-2-dithiocarboxylate","Acta Crystallographica Section E","2004","60","2","o219","o221","10.1107/S160053680400073X","","","0.71073","MoKα","","0.0917","0.0354","","","0.0747","0.0844","","","","","","0.817","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203231","8.906","0.001","16.768","0.003","10.628","0.003","90","","93.39","0.02","90","","1584.4","0.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","halfppt","1,1-diphenyl-2-(4-methylphenyl)ethene","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","SU6073","Vande Velde, Christophe M. L.; Wuyts, Cindy; Geise, Herman J.; Blockhuys, Frank","2-(4-Methylphenyl)-1,1-diphenylethene","Acta Crystallographica Section E","2004","60","2","o248","o249","10.1107/S1600536804000984","","","0.71073","MoKα","","0.1266","0.0405","","","0.0925","0.1169","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203232","13.113","0.003","9.999","0.003","18.474","0.003","90","","90","","90","","2422.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","dimethoxyphenylthiocarbamate","O-(3,5-dimethoxyphenyl)-N,N-dimethylthiocarbamate","","- C11 H15 N O3 S -","- C11 H15 N O3 S -","- C88 H120 N8 O24 S8 -","8","1","TK6147","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","<i>O</i>-(3,5-Dimethoxyphenyl) <i>N,N</i>-dimethylthiocarbamate","Acta Crystallographica Section E","2004","60","2","o199","o200","10.1107/S1600536804000467","","","0.71073","MoKα","","0.118","0.034","","","0.078","0.097","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203233","8.008","0.004","18.046","0.003","9.8377","0.0016","90","","96.04","0.02","90","","1413.8","0.8","293","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzyl(1,1-dimethyl-3-oxobutyl)ammonium iodide","","- C13 H20 I N O -","- C13 H20 I N O -","- C52 H80 I4 N4 O4 -","4","1","TK6148","Rademeyer, Melanie","Benzyl(1,1-dimethyl-3-oxobutyl)ammonium iodide","Acta Crystallographica Section E","2004","60","2","o267","o268","10.1107/S1600536804001436","","","0.71073","MoKα","","0.028","0.025","","","0.057","0.059","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203234","10.196","0.003","10.41","0.004","13.308","0.005","79.46","0.005","68.928","0.004","61.01","0.004","1152.8","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-5-phenyltetrazolate-κ^2^N^2^:N^3^)bis[(2,2'-bipyridine- κ^2^N,N')bis(5-phenyltetrazolate-κN^2^)copper(II)]","","- C48 H36 Cu2 N20 -","- C48 H36 Cu2 N20 -","- C48 H36 Cu2 N20 -","1","0.5","TK6149","Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen","Bis(μ-5-phenyltetrazolate-κ^2^<i>N</i>^2^:<i>N</i>^3^)bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')bis(5-phenyltetrazolate-κ<i>N</i>^2^)copper(II)]","Acta Crystallographica Section E","2004","60","2","m225","m227","10.1107/S1600536804001345","","","0.71073","MoKα","","0.076","0.052","","","","0.118","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203235","5.569","0.003","15.062","0.007","18.245","0.009","90","","90","","90","","1530.4","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-3-(α-hydroxybenzylidene)pyrrolidine-2,4-dione","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","WK6005","You-Quan Zhu; Hai-Bin Song; Jian-Rong Li; Chang-Sheng Yao; Fang-Zhong Hu; Xiao-Mao Zou; Hua-Zheng Yang","1-Benzyl-3-(α-hydroxybenzylidene)pyrrolidine-2,4-dione","Acta Crystallographica Section E","2004","60","2","o196","o198","10.1107/S1600536804000364","","","0.71073","MoKα","","0.112","0.0593","","","0.1132","0.1307","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203236","9.792","0.001","9.832","0.001","11.556","0.002","101.56","0.002","99.974","0.002","108.034","0.002","1002.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","5-Methyl-2-phenyl-4-[(Z)-(2-tolylamino)phenylmethylene]pyrazol-3(2H)-one","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C48 H42 N6 O2 -","2","1","WK6006","Bao, Feng; Lü, Xingqiang; Wu, Qing; Kang, Beisheng; Ng, Seik Weng","5-Methyl-2-phenyl-4-[(<i>Z</i>)-(2-tolylamino)phenylmethylene]pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2004","60","2","o155","o156","10.1107/S1600536803029258","","","0.71073","MoKα","","0.071","0.043","","","0.114","0.133","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203237","6.809","0.0003","6.809","0.0003","10.376","0.0009","90","","90","","120","","416.61","0.04","293","2","293","2","","","","","","","","4","P -6 c 2","P -6c 2","188","","Calcium potassium cyclo-triphosphate","","- Ca K O9 P3 -","- Ca K O9 P3 -","- Ca2 K2 O18 P6 -","2","0.166667","","Malin Sandström; Dan Boström","Calcium potassium cyclo-triphosphate","Acta Crystallographica, Section E","2004","60","2","i15","i17","10.1107/S1600536804000303","","","0.71073","MoKα","","0.0248","0.024","","","0.0556","0.056","","","","","","1.182","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2203238","10.6226","0.0019","10.6226","0.0019","4.0954","0.0015","90","","90","","120","","400.21","0.18","273","2","298","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Lanthanum(III) nitrite","","- La N3 O6 -","- La N3 O6 -","- La3 N9 O18 -","3","0.166667","","Qing-Qing Kang; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","La(NO~2~)~3~, a novel (3,9)-connected lanthanide-based network","Acta Crystallographica, Section E","2004","60","2","i12","i14","10.1107/S1600536804000297","","","0.71073","MoKα","","0.0128","0.0128","","","0.0292","0.0292","","","","","","1.137","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203239","24.755","0.0009","24.8832","0.0009","8.2003","0.0003","90","","90","","90","","5051.3","0.3","297","","297","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li72 Mn144 O288 -","72","2.25","","Tateishi, Kenji; Suda, Katsumi; du Boulay, Douglas; Ishizawa, Nobuo; Oishi, Shuji","LiMn~2~O~4~: a spinel-related low-temperature modification","Acta Crystallographica, Section E","2004","60","2","i18","i21","10.1107/S160053680400025X","","","0.75044","Synchrotron","","0.038","0.038","","0.038","","0.038","","","3.203","","","3.203","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203240","9.6254","0.0006","7.0218","0.0005","12.3761","0.0008","90","","90","","90","","836.47","0.1","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dirubidium tetrathiotungstate","","- Rb2 S4 W -","- Rb2 S4 W -","- Rb8 S16 W4 -","4","0.5","","Yao, Jiyong; Ibers, James A.","Dirubidium tetrathiotungstate, Rb~2~[WS~4~]","Acta Crystallographica, Section E","2004","60","2","i10","i11","10.1107/S1600536804000169","","","0.71073","MoKα","","0.0268","0.0234","","","0.0588","0.0608","","","","","","1.334","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2203241","3.975","0.004","7.417","0.004","12.82","0.008","76.36","0.04","88.54","0.04","88.62","0.04","367.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3-cyano-4,6-dimethyl-2-pyridone","","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C16 H16 N4 O2 -","2","1","WN6204","Victor B. Rybakov; Alexander A. Bush; Eugene V. Babaev; Leonid A. Aslanov","3-Cyano-4,6-dimethyl-2-pyridone (Guareschi pyridone)","Acta Crystallographica Section E","2004","60","2","o160","o161","10.1107/S1600536803029295","","","1.5418","CuKα","","0.0838","0.0468","","","0.1148","0.138","","","","","","1.076","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2203242","9.02","0.002","11.39","0.003","12.89","0.003","73.95","0.02","86.18","0.02","67.49","0.02","1174.6","0.5","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl3 N3 O4 -","- C25 H18 Cl3 N3 O4 -","- C50 H36 Cl6 N6 O8 -","2","1","WN6206","Kovalenko, Sergiy M.; Baumer, Vyacheslav N.; Zhuravel, Iryna V.; Chernykh, Valentyn P.","{3-[(4-Chloroanilino)carbonyl]-2-[(3,4-dichlorophenyl)imino]-8-methyl-2<i>H</i>-pyrano[2,3-<i>c</i>]pyridin-5-yl}methyl acetate","Acta Crystallographica Section E","2004","60","2","o187","o189","10.1107/S1600536804000078","","","0.71073","MoKα","","","0.043","","","","0.071","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203243","10.5512","0.001","10.4538","0.0012","8.2152","0.001","90","","91.061","0.01","90","","905.98","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 O2 S4 -","- C14 H28 O2 S4 -","- C28 H56 O4 S8 -","2","0.5","WN6208","Gültekin, Zeynep; Bayrak, Hacer; Frey, Wolfgang; Hökelek, Tuncer","2,9-Bis(methoxymethyl)-1,3,8,10-tetrathiacyclotetradecane","Acta Crystallographica Section E","2004","60","2","o157","o159","10.1107/S1600536803029283","","","0.71073","MoKα","","0.0587","0.0495","","","0.1315","0.1429","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203244","12.9211","0.0005","14.0305","0.0005","8.0488","0.0003","90","","99.341","0.002","90","","1439.81","0.09","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Dichlorophenyl)-2-phthalimidoethanone","","- C16 H9 Cl2 N O3 -","- C16 H9 Cl2 N O3 -","- C64 H36 Cl8 N4 O12 -","4","1","WN6209","Zhang, Xingguo; Zhong, Ping; Hu, Maolin; Xiao, Hongping","1-(2,4-Dichlorophenyl)-2-phthalimidoethanone","Acta Crystallographica Section E","2004","60","2","o297","o298","10.1107/S1600536804001412","","","0.71073","MoKα","","0.0425","0.0373","","","0.1075","0.1108","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203245","21.224","0.007","15.83","0.004","15.55","0.005","90","","109.42","0.03","90","","4927","3","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 Cl N3 O4 -","- C27 H26 Cl N3 O4 -","- C216 H208 Cl8 N24 O32 -","8","1","WN6211","Baumer, Vyacheslav N.; Silin, Olexiy V.; Savchenko, Timur I.; Nikitchenko, Viktor M.; Kovalenko, Sergiy M.","5-Benzyl-7,9-dimethoxy-3-phenyl-5<i>H</i>-pyrazolo[4,3-<i>c</i>]quinolin-1-ium chloride acetic acid solvate","Acta Crystallographica Section E","2004","60","2","o294","o296","10.1107/S1600536804001606","","","0.71073","MoKα","","","0.046","","","","0.083","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203246","6.9211","0.001","8.3176","0.001","10.648","0.001","79.21","0.1","76.19","0.1","85.84","0.1","584.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Chloro-3-chloromethylbenzo[h]quinoline","","- C14 H9 Cl2 N -","- C14 H9 Cl2 N -","- C28 H18 Cl4 N2 -","2","1","WW6143","Beghidja, Adel; Benboudiaf, Ali; Beghidja, Chahrazed; Welter, Richard","2-Chloro-3-chloromethylbenzo[<i>h</i>]quinoline","Acta Crystallographica Section E","2004","60","2","o228","o229","10.1107/S1600536804000650","","","0.71073","MoKα","","0.1213","0.0601","","","0.1585","0.2095","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203247","7.641","0.002","23.508","0.005","11.134","0.002","90","","102.4","0.03","90","","1953.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(2,2'-bipyridine)zinc(II) terephthalate","","- C18 H20 N2 O8 Zn -","- C18 H20 N2 O8 Zn -","- C72 H80 N8 O32 Zn4 -","4","1","WW6148","Xu, Hongbin; Liang, Yucang; Su, Zhongmin; Zhao, Yahui; Shao, Kuizhan; Zhang, Hengjun; Yue, Shumei","Tetraaqua(2,2'-bipyridine)zinc(II) terephthalate","Acta Crystallographica Section E","2004","60","2","m142","m144","10.1107/S1600536803029210","","","0.71073","MoKα","","0.0775","0.0598","","","0.1944","0.2015","","","","","","1.104","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2203248","8.604","0.002","27.271","0.006","5.914","0.001","90","","90","","90","","1387.7","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","catena-Poly[[diaquazinc(II)-μ-benzene-1,3-dioxyacetate] dihydrate]","","- C10 H16 O10 Zn -","- C10 H8 O10 Zn -","- C40 H32 O40 Zn4 -","4","1","WW6150","Gao, Shan; Li, Jian-Rong; Liu, Ji-Wei; Huo, Li-Hua","<i>catena</i>-Poly[[diaquazinc(II)-μ-benzene-1,3-dioxyacetate] dihydrate]","Acta Crystallographica Section E","2004","60","2","m140","m141","10.1107/S1600536803029234","","","0.71073","MoKα","","0.0505","0.0376","","","0.0905","0.0933","","","","","","0.916","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203249","7.933","0.002","8.737","0.003","9.907","0.003","79.464","0.004","72.596","0.004","79.918","0.005","638.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(2,4-Dichlorophenyl)-1-(2-furyl)-3-hydroxypropan-1-one","","- C13 H10 Cl2 O3 -","- C13 H10 Cl2 O3 -","- C26 H20 Cl4 O6 -","2","1","WW6151","Yu, Zhifang; Gu, Xiuyan; Zhao, Bing; Cao, Xiaoqiang","3-(2,4-Dichlorophenyl)-1-(2-furyl)-3-hydroxypropan-1-one","Acta Crystallographica Section E","2004","60","2","o168","o169","10.1107/S1600536803029568","","","0.71073","MoKα","","0.0498","0.0385","","","0.1018","0.1109","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203250","11.3103","0.0004","13.3106","0.0003","14.928","0.0005","90","","90","","90","","2247.36","0.12","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 I2 N2 O -","- C21 H28 I2 N2 O -","- C84 H112 I8 N8 O4 -","4","1","WW6155","Yoshikawa, Naokazu; Takemoto, Keiko; Sakamoto, Jun; Kanehisa, Nobuko; Kai, Yasushi; Takashima, Hiroshi; Tsukahara, Keiichi","(11<i>R</i>)-(‒)-<i>N,N</i>'-Dimethylcinchonidinium diiodide","Acta Crystallographica Section E","2004","60","2","o281","o282","10.1107/S1600536804000583","","","0.7107","MoKα","","","0.0498","","","","0.0843","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203251","10.8677","0.0005","21.96","0.001","13.716","0.0006","90","","90.715","0.001","90","","3273.1","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(3,5-dimethylpiperazinium) di-μ~5~-hydrogenphosphato-penta-μ~2~-oxo-pentakis[dioxomolybdenum(III)] dihydrate","","- C12 H38 Mo5 N4 O25 P2 -","- C12 H38 Mo5 N4 O25 P2 -","- C48 H152 Mo20 N16 O100 P8 -","4","0.5","YA6186","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","Bis(3,5-dimethylpiperazinium) di-μ~5~-hydrogenphosphato-penta-μ~2~-oxo-pentakis[dioxomolybdenum(V)] dihydrate","Acta Crystallographica Section E","2004","60","2","m171","m173","10.1107/S160053680400011X","","","0.71073","MoKα","","0.042","0.034","","","0.078","0.095","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203252","23.263","0.001","7.0762","0.0003","11.5216","0.0005","90","","100.989","0.001","90","","1861.84","0.14","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diamminediaquabis(4-pyridylthioacetato)copper(II)","","- C14 H22 Cu N4 O6 S2 -","- C14 H22 Cu N4 O6 S2 -","- C56 H88 Cu4 N16 O24 S8 -","4","0.5","YA6187","Huang, Yong-Qing; Zhang, Hui; Chen, Jian-Gu; Zou, Wei; Li, Li; Wei, Zan-Bin; Ng, Seik Weng","Diamminediaquabis(4-pyridylthioacetato)copper(II)","Acta Crystallographica Section E","2004","60","2","m133","m134","10.1107/S1600536803028629","","","0.71073","MoKα","","0.039","0.034","","","0.087","0.09","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203253","10.8893","0.001","10.6093","0.0007","23.629","0.002","90","","94.297","0.007","90","","2722.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-Bis(4-methylbenzoyl)-2,6-bis(4-methylphenyl)-4H-pyran-4-one","","- C35 H28 O4 -","- C35 H28 O4 -","- C140 H112 O16 -","4","1","YA6191","Dinçer, Muharrem; Yıldırım, İsmail; Koca, İrfan; Özdemir, Namık","3,5-Bis(4-methylbenzoyl)-2,6-bis(4-methylphenyl)-4<i>H</i>-pyran-4-one","Acta Crystallographica Section E","2004","60","2","o207","o209","10.1107/S1600536804000121","","","0.71073","MoKα","","0.102","0.045","","","0.084","0.09","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203254","10.182","0.002","12.131","0.002","11.3","0.002","90","","106.11","0.01","90","","1340.9","0.4","296.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl2 Fe2 N2 O4 -","- C28 H22 Cl2 Fe2 N2 O4 -","- C56 H44 Cl4 Fe4 N4 O8 -","2","0.5","YA6192","Koikawa, Masayuki; Iwashita, Kumiko; Tokii, Tadashi","Dichlorobis[<i>N</i>-(2-oxymethylphenyl)salicylideneiminato]diiron(III)","Acta Crystallographica Section E","2004","60","2","m239","m241","10.1107/S1600536804001709","","","0.7107","MoKα","","","0.04","","","","0.123","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203255","15.343","0.003","8.576","0.0014","4.8863","0.0008","90","","90","","90","","642.95","0.19","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Chloroethyl ethyl sulfide","","- C4 H9 Cl S -","- C4 H9 Cl S -","- C16 H36 Cl4 S4 -","4","1","YA6195","Zawadski, Alexander; Parsons, Simon","2-Chloroethyl ethyl sulfide: a mustard gas analogue","Acta Crystallographica Section E","2004","60","2","o225","o227","10.1107/S1600536804000753","","","0.71073","MoKα","","0.028","0.024","","0.064","0.062","0.064","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203256","11.283","0.002","15.457","0.003","10.365","0.002","90","","102.56","0.03","90","","1764.4","0.6","81","2","81","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","8-hydroxy-3,4-dimethylisocoumarin","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","AC6080","Twamley, Brendan; Zawadzka, Anna; Paszczynski, Andrzej J.","8-Hydroxy-3,4-dimethylisocoumarin","Acta Crystallographica Section E","2004","60","3","o370","o371","10.1107/S1600536804003034","","","0.71073","MoKα","","0.1078","0.0596","","","0.1116","0.1282","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203257","22.782","0.011","4.884","0.002","23.432","0.011","90","","92.461","0.007","90","","2605","2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,1-[2,6-bis-(hydroxymethyl)-4-methylphenol]-benzaldehydeacetal","1,1-[2,6-bis-(hydroxymethyl)-4-methylphenol]-benzaldehydeacetal","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","AC6081","Yin, Caixia; Huo, Fangjun; Gao, Fei; Yang, Pin","2,6-Bis(hydroxymethyl)-4-methylphenol benzylidene 1,2-acetal","Acta Crystallographica Section E","2004","60","3","o457","o459","10.1107/S160053680400409X","","","0.71073","MoKα","","0.0911","0.0632","","","0.1624","0.1765","","","","","","1.038","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203258","6.681","0.005","12.04","0.005","12.326","0.005","90","","90","","90","","991.5","0.9","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","2,3,-exo,exo-5,6-tetrabromo-bicyclo[2.2.1]hept-2-ene","","- C7 H6 Br4 -","- C7 H6 Br4 -","- C28 H24 Br16 -","4","0.5","AC6082","Ísmail Çelik; Osman Çakmak; Mehmet Akkurt; Cem Cüneyt Ersanlı; Orhan Büyükgüngör","2,3,-<i>exo,exo</i>-5,6-Tetrabromobicyclo[2.2.1]hept-2-ene","Acta Crystallographica Section E","2004","60","3","o468","o470","10.1107/S1600536804004131","","","0.71073","MoKα","","0.0933","0.0477","","","0.0802","0.0915","","","","","","1.005","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203259","7.218","0.003","9.254","0.003","8.864","0.003","90","","99.377","0.005","90","","584.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","cesium lanthanum tetrametaphosphate","","","- Cs La O12 P4 -","- Cs La O12 P4 -","- Cs2 La2 O24 P8 -","2","1","","Sun, Tongqing; Shen, Guangqiu; Wang, Xiaoqing; Wang, Ruji; Wei, Jingzhi; Shen, Dezhong","CsLa(PO~3~)~4~","Acta Crystallographica, Section E","2004","60","3","i28","i30","10.1107/S160053680400131X","","","0.71073","MoKα","","0.0232","0.0216","","","0.0485","0.049","","","","","","1.022","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203260","9.3168","0.0004","9.8985","0.0006","34.083","0.0017","90","","94.236","0.006","90","","3134.6","0.3","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","tricaesium dihafnium pentaphosphorus octadecasulfide","","- Cs3 Hf2 P5 S18 -","- Cs3 Hf2 P5 S18 -","- Cs12 Hf8 P20 S72 -","4","1","BR6136","Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang","Cs~3~Hf~2~(P~2~S~7~)~2~(PS~4~)","Acta Crystallographica Section E","2004","60","3","i42","i44","10.1107/S1600536804002880","","","0.71073","MoKα","","0.0417","0.0407","","","0.1033","0.1037","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203261","6.2987","0.0013","10.5","0.002","39.68","0.008","90","","90","","90","","2624.3","0.9","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","BT6394","Alcock, Nathaniel W.; Sanders, Karen J.; Rodger, Alison","Potential injectable contraceptive steroids: testosterone buciclate","Acta Crystallographica Section E","2004","60","3","o348","o349","10.1107/S1600536804000820","","","0.71073","MoKα","","0.1263","0.0731","","","0.1421","0.1624","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203262","10.5029","0.0009","11.046","0.0002","34.5904","0.0009","90","","97.055","0.001","90","","3982.6","0.4","291","1","291","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C168 H272 O32 -","8","2","BT6404","Fresu, Sonia; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","<i>rac</i>-(1<i>R</i>,11<i>R</i>,14<i>S</i>,18<i>R</i>)-Methyl 18-hydroxy-19-oxotricyclo[9.7.1.0^1,14^]nonadecane-11-carboxylate","Acta Crystallographica Section E","2004","60","3","o403","o405","10.1107/S1600536804003368","","","0.71073","MoKα","","0.1799","0.0428","","","0.0612","0.0713","","","","","","0.907","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203263","7.251","0.001","7.4873","0.001","9.7058","0.0013","112.628","0.01","98.786","0.011","103.832","0.011","454.32","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl2 Cu2 N4 -","- C16 H16 Cl2 Cu2 N4 -","- C16 H16 Cl2 Cu2 N4 -","1","0.5","BT6405","Goreshnik, Evgeny; Schollmeyer, Dieter; Mys'kiv, Marian","Bis(2-methylbenzimidazole-κ<i>N</i>^1^)copper(I) dichlorocuprate(I)","Acta Crystallographica Section E","2004","60","3","m279","m281","10.1107/S1600536804002466","","","1.54178","CuKα","","0.0468","0.044","","","0.1217","0.1245","","","","","","1.129","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203264","5.7681","0.0003","9.8914","0.0006","24.4281","0.0016","90","","96.798","0.003","90","","1383.94","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Benzoylmethylsulfanyl)-6-methoxy-1H-benzimidazole","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","BT6406","Daniel E. Lynch; Ian McClenaghan","2-(Benzoylmethylsulfanyl)-6-methoxy-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2004","60","3","o363","o364","10.1107/S1600536804003137","","","0.71073","MoKα","","0.1041","0.0607","","","0.1154","0.1263","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203265","5.5919","0.0005","9.2507","0.001","7.9146","0.0009","90","","90","","90","","409.41","0.07","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H10 O3 S2 -","- C6 H10 O3 S2 -","- C12 H20 O6 S4 -","2","0.5","BT6407","Brewer, A. David; Ferguson, George; Lough, Alan J.; Strunk, Richard J.","2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4-trioxide","Acta Crystallographica Section E","2004","60","3","o392","o394","10.1107/S1600536804003356","","","0.71073","MoKα","","0.0674","0.0562","","","0.1363","0.1432","","","","","","1.159","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203266","10.7227","0.0013","11.0789","0.0013","10.1268","0.0012","90","","90","","90","","1203","0.2","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","N-(8-Quinolyl)-o-phenylenediamine","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","BT6408","Seshadri, Tarimala; Flörke, Ulrich; Henkel, Gerald","<i>N</i>-(8-Quinolyl)-<i>o</i>-phenylenediamine","Acta Crystallographica Section E","2004","60","3","o399","o400","10.1107/S1600536804003472","","","0.71073","MoKα","","0.0496","0.0427","","","0.1033","0.1073","","","","","","1.105","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203267","9.2842","0.0005","12.2427","0.0007","16.349","0.0009","90","","101.463","0.001","90","","1821.22","0.17","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(8-Quinolyl)-o-(1,1,3,3-tetramethylguanidino)phenylamine","","- C20 H23 N5 -","- C20 H23 N5 -","- C80 H92 N20 -","4","1","BT6409","Seshadri, Tarimala; Flörke, Ulrich; Henkel, Gerald","<i>N</i>-(8-Quinolyl)-<i>o</i>-(1,1,3,3-tetramethylguanidino)phenylamine","Acta Crystallographica Section E","2004","60","3","o401","o402","10.1107/S1600536804003484","","","0.71073","MoKα","","0.0656","0.0485","","","0.1149","0.1236","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203268","8.1791","0.0006","8.1791","","16.42","0.001","90","","90","","90","","1098.46","0.1","294","2","294","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Cadmium binicotinate","2,2'-Bipyridyl-3,3'-dicarboxylatocadmium(II)","","- C12 H6 Cd N2 O4 -","- C12 H6 Cd N2 O4 -","- C48 H24 Cd4 N8 O16 -","4","0.5","BT6410","Huang, Xiao-Chun; Zhang, Lin-Yun; Chen, Xiao-Ming; Ng^a^, Seik Weng","Cadmium binicotinate","Acta Crystallographica Section E","2004","60","3","m332","m333","10.1107/S1600536804003940","","","0.71073","MoKα","","0.02","0.019","","","0.045","0.045","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203269","7.4072","0.0006","8.6995","0.0007","10.2525","0.0008","87.205","0.001","74.517","0.001","66.277","0.001","581.6","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Guanidinium 4-hydroxy-3-carboxybenzene sulfonate","","- C8 H11 N3 O6 S -","- C8 H11 N3 O6 S -","- C16 H22 N6 O12 S2 -","2","1","BT6411","Zhang, Xiu-Lian; Chen, Xiao-Ming; Ng^a^, Seik Weng","Guanidinium 4-hydroxy-3-carboxybenzenesulfonate","Acta Crystallographica Section E","2004","60","3","o453","o454","10.1107/S1600536804004052","","","0.71073","MoKα","","0.043","0.038","","","0.108","0.112","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203270","9.8121","0.0009","6.6775","0.0006","15.647","0.001","90","","97.957","0.002","90","","1015.33","0.15","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","4,4'-Bipyridinium 1,5-naphthalenedisulfonate dihydrate","","- C20 H20 N2 O8 S2 -","- C20 H20 N2 O8 S2 -","- C40 H40 N4 O16 S4 -","2","0.5","BT6412","Zhang, Xiu-Lian; Chen, Xiao-Ming; Ng^a^, Seik Weng","4,4'-Bipyridinium 1,5-naphthalenedisulfonate dihydrate","Acta Crystallographica Section E","2004","60","3","o455","o456","10.1107/S1600536804004064","","","0.71073","MoKα","","0.062","0.049","","","0.125","0.134","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203271","6.518","0.002","28.543","0.006","10.194","0.002","90","","106.19","0.03","90","","1821.3","0.8","143","2","143","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,3-Di-tert-butyl-6-phenylethynyl-fulvene","","- C22 H26 -","- C22 H26 -","- C88 H104 -","4","1","BT6413","Jones, Peter G.; Berger, Harald; Bubenitschek, Peter; Hopf, Henning","1,3-Di-<i>tert</i>-butyl-6-(phenylethynyl)fulvene","Acta Crystallographica Section E","2004","60","3","o444","o445","10.1107/S1600536804003964","","","0.71073","MoKα","","0.0732","0.0525","","","0.1249","0.1409","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203272","14.0901","0.0014","5.8367","0.0008","23.519","0.002","90","","105.383","0.006","90","","1864.9","0.4","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","10-Phenyl-10-phenylethynyl-9-methylene-fluorene","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","1","BT6414","Jones, Peter G.; Berger, Harald; Bubenitschek, Peter; Hopf, Henning","10-Phenyl-10-phenylethynyl-9-methylenefluorene","Acta Crystallographica Section E","2004","60","3","o446","o447","10.1107/S1600536804003976","","","0.71073","MoKα","","0.0758","0.037","","","0.069","0.0762","","","","","","0.819","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203273","8.906","0.004","9.865","0.005","13.619","0.007","88.908","0.009","78.705","0.009","66.753","0.009","1075.8","0.9","296","1","296","1","","","","","","","","7","P -1","-P 1","2","","Di-μ-α-pyrrolidinonato-bis[cis-diamminechloroplatinum(III)] sulfate dihydrate","","- C8 H28 Cl2 N6 O8 Pt2 S -","- C8 H24 Cl2 N6 O8 Pt2 S -","- C16 H48 Cl4 N12 O16 Pt4 S2 -","2","1","CF6324","Sakai, Ken; Sakai, Itsuki; Kajiwara, Takashi; Ito, Tasuku","Di-μ-α-pyrrolidinonato-bis[<i>cis</i>-diamminechloroplatinum(III)] sulfate dihydrate: a head-to-head isomer","Acta Crystallographica Section E","2004","60","3","m255","m258","10.1107/S1600536804002065","","","0.71073","MoKα","","0.0841","0.0591","","","0.141","0.1526","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203274","8.6846","0.001","9.7645","0.0011","10.4676","0.0012","63.154","0.002","68.579","0.002","78.644","0.002","736.74","0.15","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","μ-Terephthalato-bis[aquachloro(1,10-phenanthroline)copper(II)]","","- C32 H24 Cl2 Cu2 N4 O6 -","- C32 H24 Cl2 Cu2 N4 O6 -","- C32 H24 Cl2 Cu2 N4 O6 -","1","0.5","CF6325","Hong-Ping Xiao; Xin-Hua Li; Ming-De Ye; Mao-Lin Hu","μ-Terephthalato-bis[aquachloro(1,10-phenanthroline)copper(II)]","Acta Crystallographica Section E","2004","60","3","m253","m254","10.1107/S1600536804002107","","","0.71073","MoKα","","0.0304","0.0286","","","0.0754","0.0763","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203275","6.2908","0.0003","12.4043","0.0006","9.2181","0.0005","90","","106.146","0.002","90","","690.94","0.06","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hexaaquacopper(II) diperchlorate dihydrate","","- Cl2 Cu H16 O16 -","- Cl2 Cu H16 O16 -","- Cl4 Cu2 H32 O32 -","2","0.5","","Xin-Hua Li; Feng-Yi Xia; Hong-Ping Xiao; Mao-Lin Hu","Hexaaquacopper(II) diperchlorate dihydrate","Acta Crystallographica, Section E","2004","60","3","i31","i32","10.1107/S1600536804002168","","","0.71073","MoKα","","0.0331","0.0325","","","0.1044","0.1048","","","","","","1.171","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203276","8.145","0.005","13.634","0.005","9.082","0.005","90","","101.206","0.005","90","","989.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine-κ^3^N,O,O')copper(II) squarate","","- C16 H30 Cu N2 O10 -","- C16 H30 Cu N2 O10 -","- C32 H60 Cu2 N4 O20 -","2","0.5","CI6336","Ucar, Ibrahim; Yesilel, Okan Zafer; Bulut, Ahmet; Icbudak, Hasan; Olmez, Halis; Kazak, Canan","Bis(triethanolamine-κ^3^<i>N,O,O</i>')copper(II) squarate","Acta Crystallographica Section E","2004","60","3","m322","m324","10.1107/S160053680400354X","","","0.71069","MoKα","","0.0472","0.0265","","","0.0482","0.0503","","","","","","0.774","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203277","25.6412","0.0014","4.9773","0.0003","22.3894","0.0016","90","","90","","90","","2857.4","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(3-chloro-4-methylphenyl)-N'-hydroxy-2-oxo-2-phenylacetamidine","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","2","CI6337","Hökelek, Tuncer; Büyükgüngör, Orhan; Taş, Murat; Batı, Hümeyra","<i>N</i>-(3-Chloro-4-methylphenyl)-<i>N</i>'-hydroxy-2-oxo-2-phenylacetamidine","Acta Crystallographica Section E","2004","60","3","o406","o408","10.1107/S1600536804003459","","","0.71073","MoKα","","0.098","0.0413","","","0.0878","0.0996","","","","","","0.753","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203278","8.229","0.002","11.828","0.003","12.088","0.003","67.403","0.004","86.94","0.004","74.256","0.004","1043.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-Nitro-2-propyl-1H-indole","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","2","CI6338","Xianghong Huang; Qian-Feng Zhang; Herman H. Y. Sung","6-Nitro-2-propyl-1<i>H</i>-indole","Acta Crystallographica Section E","2004","60","3","o409","o410","10.1107/S1600536804003393","","","0.71073","MoKα","","0.0904","0.0517","","","0.1297","0.1419","","","","","","0.949","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203279","5.805","0.0012","8.431","0.0017","10.74","0.002","98.88","0.03","105.17","0.03","91.68","0.03","499.9","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DL-Threoninium maleate","DL-Threoninium maleate","","- C8 H13 N O7 -","- C8 H13 N O7 -","- C16 H26 N2 O14 -","2","1","CI6339","K. Rajagopal; E. Ramachandran; A. Mostad; S. Natarajan","<small>DL</small>-Threoninium maleate at 150K","Acta Crystallographica Section E","2004","60","3","o386","o388","10.1107/S1600536804003277","","","0.71073","MoKα","","0.0346","0.0337","","","0.0919","0.0928","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203280","8.524","0.005","8.64","0.005","9.307","0.005","91.426","0.005","90.25","0.005","116.059","0.005","615.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","4-(4-Chlorophenyl)-3-(furan-2-yl)-1H-1,2,4-triazole-5(4H)-thione","","- C12 H8 Cl N3 O S -","- C12 H8 Cl N3 O S -","- C24 H16 Cl2 N6 O2 S2 -","2","1","CI6341","Sema Öztürk; Mehmet Akkurt; Ahmet Cansız; Metin Koparır; Mehmet Şekerci; Frank W. Heinemann","4-(4-Chlorophenyl)-3-(furan-2-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","3","o425","o427","10.1107/S1600536804003721","","","0.71069","MoKα","","0.0484","0.0332","","","0.0935","0.0983","","","","","","1.155","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203281","14.4063","0.0005","12.6196","0.0006","13.34","0.0005","90","","111.48","0.003","90","","2256.79","0.16","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","chlorobis(1,10-phenanthroline)copper(II) dichlorocuprate(I)","","- C24 H16 Cl3 Cu2 N4 -","- C24 H16 Cl3 Cu2 N4 -","- C96 H64 Cl12 Cu8 N16 -","4","1","CV6258","Yang, Hong-Fang; Huang, Chang-Cang; Zhang, Han-Hui; Liu, Yongxiu; Lian, Zhao-Xun; Xiao,Guang-Can","A new mixed-valence Cu^II^/Cu^I^ complex: chlorobis(1,10-phenanthroline)copper(II) dichlorocuprate(I)","Acta Crystallographica Section E","2004","60","3","m291","m293","10.1107/S1600536804002375","","","0.71069","MoKα","","0.0492","0.0351","","","0.0995","0.11","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203282","8.1393","0.0016","22.855","0.002","8.653","0.0019","90","","100.633","0.016","90","","1582","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aqua(2,2'-diamino-4,4-bi-1,3-thiazole-κ^2^N,N')(oxydiacetato- κ^3^O,O',O'')cobalt(II) monohydrate","","- C10 H14 Co N4 O7 S2 -","- C10 H14 Co N4 O7 S2 -","- C40 H56 Co4 N16 O28 S8 -","4","0.5","CV6265","Yue Luo; Duan-Jun Xu; Zhi-Yong Wu; Jing-Yun Wu; Michael Y. Chiang","Aqua(2,2'-diamino-4,4-bi-1,3-thiazole-κ^2^<i>N,N</i>')(oxydiacetato-κ^3^<i>O,O</i>',<i>O</i>'')cobalt(II) monohydrate","Acta Crystallographica Section E","2004","60","3","m270","m272","10.1107/S1600536804002454","","","0.71073","MoKα","","0.026","0.022","","","0.058","0.06","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203283","11.4599","0.0002","11.4599","0.0002","11.6864","0.0002","90","","90","","90","","1534.77","0.05","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","(S,Sp)-2-[4-(1-methylethyl)-4,5-dihydrooxazol-1-yl]ferrocenecarboxylic acid","","- C17 H19 Fe N O3 -","- C17 H19 Fe N O3 -","- C68 H76 Fe4 N4 O12 -","4","1","CV6269","Štěpnička, Petr; Císařová, Ivana","(<i>S,S</i>~<i>p~</i>)-2-[4-(1-Methylethyl)-4,5-dihydrooxazol-1-yl]ferrocenecarboxylic acid","Acta Crystallographica Section E","2004","60","3","m288","m290","10.1107/S1600536804002685","","","0.71073","MoKα","","0.0369","0.0339","","","0.0845","0.0874","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203284","19.111","0.003","5.9619","0.0011","18.726","0.002","90","","119.337","0.012","90","","1860","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 3,4-di-O-pivaloyl-β-D-xylopyranoside","","- C16 H28 O7 -","- C16 H28 O7 -","- C64 H112 O28 -","4","1","CV6270","Prugovečki, Biserka; Matković-Čalogović, Dubravka; Petrović, Vesna; Tomić, Srđanka","Methyl 3,4-di-<i>O</i>-pivaloyl-β-<small>D</small>-xylopyranoside","Acta Crystallographica Section E","2004","60","3","o378","o380","10.1107/S1600536804002995","","","0.71073","MoKα","","0.0479","0.0427","","","0.1039","0.108","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203285","7.502","0.0004","14.6261","0.0007","12.4567","0.0006","90","","96.295","0.002","90","","1358.57","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","m-Terephthalato-bis[chloro(1,10-phenanthroline)cobalt(II)]","","- C32 H20 Cl2 Co2 N4 O4 -","- C32 H20 Cl2 Co2 N4 O4 -","- C64 H40 Cl4 Co4 N8 O8 -","2","0.5","CV6273","Hong-Ping Xiao; Mao-Lin Hu; Xin-Hua Li","μ-Terephthalato-bis[chloro(1,10-phenanthroline)cobalt(II)]","Acta Crystallographica Section E","2004","60","3","m336","m337","10.1107/S1600536804003824","","","0.71073","MoKα","","0.0901","0.0887","","","0.1666","0.1673","","","","","","1.374","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203286","8.2631","0.0007","9.71","0.001","10.957","0.001","75.81","0.005","69.703","0.007","77.549","0.007","791.1","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 Cl2 N8 Ni O4 -","- C28 H34 Cl2 N6 Ni O4 -","- C28 H34 Cl2 N6 Ni O4 -","1","0.5","DN6108","Sbai, S.; Regragui, R.; Essassi, E., M.; Kenz, A.; Pierrot, M.","(<i>N</i>-2-Aminophényl-5-méthylpyrazolylacétamide)nickel(II) dimethanole dichlorure","Acta Crystallographica Section E","2004","60","3","m250","m252","10.1107/S1600536803027740","","","0.71073","MoKα","","0.0543","0.0463","","","0.1181","0.1238","","","","","","1.148","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203287","10.209","0.001","11.617","0.001","11.916","0.001","87.633","0.002","75.94","0.002","88.501","0.002","1369.5","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[1,8-Bis(2-benzyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) diperchlorate","","- C22 H34 Cl2 N6 Ni O8 -","- C22 H34 Cl2 N6 Ni O8 -","- C44 H68 Cl4 N12 Ni2 O16 -","2","1","DN6117","Li, Yan-Wu; Xiang, Hua; Lu, Tong-Bu; Ng, Seik Weng","[1,8-Bis(2-benzyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) diperchlorate","Acta Crystallographica Section E","2004","60","3","m309","m311","10.1107/S160053680400248X","","","0.71073","MoKα","","0.044","0.0357","","","0.1","0.1046","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203288","8.1634","0.0006","12.411","0.001","12.518","0.001","77.094","0.001","83.348","0.001","71.882","0.001","1173.47","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[1,8-Di-2-n-propyl-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) diperchlorate","","- C14 H34 Cl2 N6 Ni O8 -","- C14 H34 Cl2 N6 Ni O8 -","- C28 H68 Cl4 N12 Ni2 O16 -","2","1","DN6118","Li, Yan-Wu; Xiang, Hua; Lu, Tong-Bu; Ng, Seik Weng","(1,8-Di-<i>n</i>-propyl-1,3,6,8,10,13-hexaazacyclotetradecane)nickel(II) diperchlorate","Acta Crystallographica Section E","2004","60","3","m312","m313","10.1107/S1600536804002491","","","0.71073","MoKα","","0.0532","0.0438","","","0.1238","0.1305","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203289","11.427","0.002","8.329","0.001","15.622","0.002","90","","105.48","0.003","90","","1432.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,8-Bis(2-phenylethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) ditetrafluoroborate","","- C24 H38 B2 F8 N6 Ni -","- C24 H38 B2 F8 N6 Ni -","- C48 H76 B4 F16 N12 Ni2 -","2","0.5","DN6119","Li, Yan-Wu; Xiang, Hua; Lu, Tong-Bu; Ng, Seik Weng","[1,8-Bis(2-phenylethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) bis(tetrafluoroborate)","Acta Crystallographica Section E","2004","60","3","m314","m316","10.1107/S1600536804002508","","","0.71073","MoKα","","0.0652","0.0368","","","0.0821","0.0909","","","","","","0.941","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203290","7.5818","0.0005","8.3976","0.0005","9.7596","0.0006","105.506","0.001","97.283","0.001","105.853","0.001","562.45","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[(3,10-diethyl-1,3,5,8,10,12-hexaazacyclotetradecane)nickel(II)]- μ-terephthalato]","","- C20 H34 N6 Ni O4 -","- C20 H34 N6 Ni O4 -","- C20 H34 N6 Ni O4 -","1","0.5","DN6120","Li, Yan-Wu; Xiang, Hua; Lu, Tong-Bu; Ng, Seik Weng","<i>catena</i>-Poly[[(3,10-diethyl-1,3,5,8,10,12-hexaazacyclotetradecane)nickel(II)]-μ-terephthalato]","Acta Crystallographica Section E","2004","60","3","m317","m318","10.1107/S160053680400251X","","","0.71073","MoKα","","0.0314","0.0304","","","0.0804","0.081","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203291","22.041","0.005","10.82","0.005","8.924","0.005","90","","91.55","0.005","90","","2127.4","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Hydroxyphenyliminomethylene)phenol","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","2","DN6122","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Erdönmez, Ahmet","4-(2-Hydroxyphenyliminomethylene)phenol","Acta Crystallographica Section E","2004","60","3","o389","o391","10.1107/S1600536804003319","","","0.71069","MoKα","","0.1109","0.0426","","","0.0747","0.087","","","","","","0.726","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203292","7.8637","0.0004","29.1592","0.0009","31.2637","0.0009","90","","90","","90","","7168.7","0.5","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-[1,1'-Bis(4-methoxyphenyl)-3,3'-(1,2-cyclohexanediyldinitrilo)diprop- 1-enethiolato-κ^4^S,N,N',S']nickel(II)","","- C26 H28 N2 Ni O2 S2 -","- C26 H28 N2 Ni O2 S2 -","- C312 H336 N24 Ni12 O24 S24 -","12","3","DN6125","Evain, Michel; Deniaud, David; Meslin, Jean Claude","(1<i>S</i>,2<i>S</i>)-[1,1'-Bis(4-methoxyphenyl)-3,3'-(1,2-cyclohexanediyldinitrilo)diprop-1-enethiolato-κ^4^<i>S,N,N</i>',<i>S</i>']nickel(II)","Acta Crystallographica Section E","2004","60","3","m325","m327","10.1107/S1600536804003551","","","0.71069","MoKα","","0.0875","0.0682","","","0.1644","0.1689","","","","","","2.24","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203293","13.105","0.003","14.054","0.003","14.344","0.003","90","","90","","90","","2641.8","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","bis[(3-Amino-5-methyl-isoxazole)-N-]zinc(II)dichloride","","- C8 H12 Cl2 N4 O2 Zn -","- C8 H12 Cl2 N4 O2 Zn -","- C64 H96 Cl16 N32 O16 Zn8 -","8","1","DN6126","Liang Shen; Mei Chao Li; Zhi Min Jin; Mao Lin Hu; Ri Cheng Xuan","Bis(3-amino-5-methylisoxazole-κ<i>N</i>)dichlorozinc(II)","Acta Crystallographica Section E","2004","60","3","m330","m331","10.1107/S1600536804003939","","","0.71073","MoKα","","0.0834","0.0568","","","0.1503","0.1548","","","","","","1.24","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203294","7.494","0.004","8.05","0.005","12.097","0.007","82.402","0.013","79.337","0.012","67.609","0.012","661.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[(1,3-Benzodioxol-5-yl)methylene]-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin- 3-one","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C28 H24 N4 O6 S2 -","2","1","FL6079","Liang, Zu-Pei","2-[(1,3-Benzodioxol-5-yl)methylene]-6,7-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-3-one","Acta Crystallographica Section E","2004","60","3","o339","o340","10.1107/S1600536804001357","","","0.71073","MoKα","","0.0582","0.0391","","","","0.1143","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203295","8.1493","0.0004","11.5615","0.0005","13.2055","0.0006","90","","90.662","0.001","90","","1244.11","0.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4,5-difluoren-9-one)diaquazinc(II) diperchlorate","","- C22 H16 Cl2 N4 O12 Zn -","- C22 H16 Cl2 N4 O12 Zn -","- C44 H32 Cl4 N8 O24 Zn2 -","2","0.5","FL6081","Zhang, Rong-Lan; Zhao, Jian-She; Yang, Shi-Yao; Ng, Seik Weng","Diaquabis(4,5-diazafluoren-9-one-κ^2^<i>N,N</i>')zinc(II) diperchlorate","Acta Crystallographica Section E","2004","60","3","m262","m263","10.1107/S1600536804001886","","","0.71073","MoKα","","0.079","0.068","","","0.175","0.185","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203296","7.4661","0.0003","25.951","0.001","8.2342","0.0003","90","","92.604","0.001","90","","1593.75","0.11","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetra-μ-acetato-bis[aquacopper(II)]‒4,5-diazafluoren-9-one (1/2)","","- C30 H28 Cu2 N4 O12 -","- C30 H28 Cu2 N4 O12 -","- C60 H56 Cu4 N8 O24 -","2","0.5","FL6082","Zhao, Jian-She; Zhang, Rong-Lan; Yang, Shi-Yao; Ng, Seik Weng","Tetra-μ-acetato-bis[aquacopper(II)]‒4,5-diazafluoren-9-one (1/2)","Acta Crystallographica Section E","2004","60","3","m264","m266","10.1107/S1600536804001898","","","0.71073","MoKα","","0.065","0.05","","","0.108","0.114","","","","","","1.12","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203297","14.0496","0.0006","16.2459","0.0006","11.8597","0.0005","90","","106.976","0.002","90","","2589.01","0.18","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{(E)-6-methoxy-2-[(4-methylphenyl)iminomethyl]phenolato}cobalt(II)","","- C30 H28 Co N2 O4 -","- C30 H28 Co N2 O4 -","- C120 H112 Co4 N8 O16 -","4","0.5","FL6083","Peter A. Iyere; William Y. Boadi; Lewis Ross","Bis{(<i>E</i>)-6-methoxy-2-[(4-methylphenyl)iminomethyl]phenolato}cobalt(II)","Acta Crystallographica Section E","2004","60","3","m304","m306","10.1107/S1600536804002764","","","0.71073","MoKα","","0.0541","0.0376","","","0.0716","0.076","","","","","","1.108","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203298","8.974","0.003","9.126","0.003","16.463","0.006","84.194","0.006","87.085","0.006","62.97","0.005","1194.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 5-(2,6-dichlorophenyl)-7-methyl-2-(1-naphthylmethylene)-3-oxo-2,3-dihydro- 5H-thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C27 H20 Cl2 N2 O3 S -","- C27 H20 Cl2 N2 O3 S -","- C54 H40 Cl4 N4 O6 S2 -","2","1","FL6085","Liu, Xin-Gang; Feng, Ya-Qing; Li, Xiao-Fang; Gao, Bo","Ethyl 5-(2,6-dichlorophenyl)-7-methyl-2-(1-naphthylmethylene)-3-oxo-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2004","60","3","o464","o465","10.1107/S1600536804004143","","","0.71073","MoKα","","0.0745","0.0404","","","","0.1261","","","","","","1.059","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2203299","6.216","0.001","10.011","0.002","16.911","0.003","97.952","0.003","93.786","0.003","96.541","0.003","1031.9","0.3","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","4-tert-Butyl-2-(4-pyridyl)-N,N'-bis(trimethylsilyl)propane-1,3-diimine","","- C18 H33 N3 Si2 -","- C18 H33 N3 Si2 -","- C36 H66 N6 Si4 -","2","1","FL6086","Xia Chen; Li Wang; Shu-Ping Huang; Dian-Sheng Liu","4-<i>tert</i>-Butyl-2-(4-pyridyl)-<i>N</i>,<i>N</i>'-bis(trimethylsilyl)propane-1,3-diimine","Acta Crystallographica Section E","2004","60","3","o473","o475","10.1107/S1600536804004222","","","0.71073","MoKα","","0.0533","0.0474","","","0.1165","0.1206","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203300","8.0566","0.0005","8.7694","0.0007","10.4093","0.0007","68.54","0.007","81.355","0.005","63.933","0.007","614.78","0.09","293","","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(malonato-κ^2^O,O')(pyridine-2-carboxamide-κ^2^N^1^,O)copper(II) monohydrate","","- C9 H12 Cu N2 O7 -","- C9 H12 Cu N2 O7 -","- C18 H24 Cu2 N4 O14 -","2","1","HB6017","Sieroń, Lesław","Aqua(malonato-κ^2^<i>O,O</i>')(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)copper(II) monohydrate","Acta Crystallographica Section E","2004","60","3","m297","m299","10.1107/S1600536804002727","","","0.71073","MoKα","","0.0425","0.0291","","","0.0637","0.0672","","","","","","0.917","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203301","6.443","0.001","13.032","0.003","9.987","0.002","90","","106.85","0.02","90","","802.6","0.3","293","","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","trans-Bis(2-amino-1,3-benzothiazole-κN^3^)dichlorocopper(II)","","- C14 H12 Cl2 Cu N4 S2 -","- C14 H12 Cl2 Cu N4 S2 -","- C28 H24 Cl4 Cu2 N8 S4 -","2","1","HB6018","Maniukiewicz, Waldemar","<i>trans</i>-Bis(2-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichlorocopper(II)","Acta Crystallographica Section E","2004","60","3","m340","m341","10.1107/S1600536804003885","","","0.71073","MoKα","","0.0501","0.0375","","","0.0819","0.0872","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203302","10.5662","0.0013","11.8911","0.0015","25.158","0.003","90","","100.039","0.002","90","","3112.5","0.7","150","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 Br3 N6 Ni2 O5 -","- C21 H41 Br3 N6 Ni2 O5 -","- C84 H164 Br12 N24 Ni8 O20 -","4","1","HB6019","Adams, Harry; Clunas, Scott; Fenton, David E.","A dinuclear nickel(II) complex of the ligand 2,6-bis[2-(dimethylamino)ethyliminomethyl]-4-methylphenol","Acta Crystallographica Section E","2004","60","3","m338","m339","10.1107/S1600536804004118","","","0.71073","MoKα","","","0.0407","","","","0.0875","","","","","","0.87","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203303","9.4373","0.0001","9.9388","0.0001","10.1736","0.0002","117.127","0.0006","101.332","0.0007","101.069","0.001","788.17","0.02","123","2","","","","","","","","","","5","P -1","-P 1","2","","","","- Fe4 H6 N8 O8 S3 -","- Fe4 H6 N8 O8 S3 -","- Fe8 H12 N16 O16 S6 -","2","1","HG6018","Fallon, Gary D.; Martin, Lisandra L.; Wu, Bei","Ammonium heptanitrosyltrithiotetraferrate monohydrate","Acta Crystallographica Section E","2004","60","3","i37","i39","10.1107/S1600536804002338","","","0.71073","MoKα","","","0.033","","","","0.0876","","","","","","1.129","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203304","9.039","0.002","8.175","0.002","20.304","0.002","90","","90","","90","","1500.3","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","HG6020","Wentrup, Curt; Buchanan, Jeff; Karl A. Byriel; Colin H. L. Kennard","2-Benzyl-1-hydroxy-5,6-dihydro-3<i>H</i>-naphtho[2,1-<i>b</i>]pyran-3-one","Acta Crystallographica Section E","2004","60","3","o471","o472","10.1107/S1600536804003848","","","0.71073","Mokα","","0.0526","0.0306","","","0.0805","0.0938","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203305","11.6048","0.0013","13.8916","0.0015","14.3273","0.0016","62.43","0.002","89.898","0.002","66.14","0.002","1822.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Aqua[tris(1H-benzimidazol-2-ylmethyl)amine]copper(II) diperchlorate 4-picoline N-oxide monohydrate","Aqua[tris(1H-benzimidazol-2-ylmethyl)amine]copper(II) diperchlorate 4-picoline N-oxide monohydrate","","- C30 H32 Cl2 Cu N8 O11 -","- C30 H32 Cl2 Cu N8 O11 -","- C60 H64 Cl4 Cu2 N16 O22 -","2","1","LH6157","Huilu Wu; Yizhi Li; Yici Gao","Aqua[tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine]copper(II) diperchlorate 4-picoline <i>N</i>-oxide monohydrate","Acta Crystallographica Section E","2004","60","3","m277","m278","10.1107/S1600536804002053","","","0.71073","MoKα","","0.0628","0.0541","","","0.1686","0.1706","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203306","3.958","0.0007","5.9476","0.0016","10.107","0.002","102.828","0.019","92.1","0.017","91.27","0.02","231.72","0.09","298","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C10 H10 N4 -","1","0.5","LH6158","Chad Eller; Bradley W. Smucker; Robert Kirgan; David M. Eichhorn; D. Paul Rillema","5,5'-Dimethyl-2,2'-bipyrazine","Acta Crystallographica Section E","2004","60","3","o433","o434","10.1107/S1600536804000881","","","0.71073","MoKα","","","0.0477","","","","0.1357","","","","","","0.959","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203307","6.2858","0.001","12.2693","0.0017","14.258","0.002","96.528","0.012","91.642","0.013","93.932","0.012","1089.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O2 Si -","- C10 H14 O2 Si -","- C40 H56 O8 Si4 -","4","2","LH6162","Haberecht, Monika Christine; Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","4-(Trimethylsilyl)benzoic acid","Acta Crystallographica Section E","2004","60","3","o329","o330","10.1107/S1600536804002041","","","0.71073","MoKα","","0.0759","0.0335","","","0.0575","0.0626","","","","","","0.899","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203308","5.6755","0.0001","25.5102","0.0005","26.5536","0.0005","90","","90","","90","","3844.51","0.12","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(4-Bromophenyl)-3-phenyl-1-(3-phenylpropyl)-1H-pyrazole","","- C24 H21 Br N2 -","- C24 H21 Br N2 -","- C192 H168 Br8 N16 -","8","1","LH6163","Low, John N.; Cobo, Justo; Arroyabe, Frank; Torres, Harlen; Abonia, Rodrigo; Glidewell, Christopher","5-(4-Bromophenyl)-3-phenyl-1-(3-phenylpropyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2004","60","3","o324","o326","10.1107/S1600536804001874","","","0.71073","MoKα","","0.0531","0.0326","","","0.0717","0.0783","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203309","6.859","0.002","10.229","0.002","12.896","0.002","99.569","0.01","93.538","0.01","95.146","0.01","885.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-α-pyrrolidinonato-bis[cis-diammineplatinum(II)] sulfate hydrate","","- C8 H26 N6 O7 Pt2 S -","- C8 H24 N6 O7 Pt2 S -","- C16 H48 N12 O14 Pt4 S2 -","2","1","LH6164","Sakai, Ken; Sakai, Itsuki; Draper, Neil D.; Leznoff, Daniel B.","Di-μ-α-pyrrolidinonato-bis[<i>cis</i>-diammineplatinum(II)] sulfate monohydrate as a head-to-head isomer","Acta Crystallographica Section E","2004","60","3","m273","m276","10.1107/S1600536804002442","","","1.5418","CuKα","","0.0827","0.0537","","","0.117","0.1265","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203310","8.78","0.011","14.461","0.018","11.495","0.015","90","","94.121","0.018","90","","1456","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","'Dichloro(N,N'-bis(furaldehyde)ethylenediamine)zinc(II)","","- C12 H12 Cl2 N2 O2 Zn -","- C12 H12 Cl2 N2 O2 Zn -","- C48 H48 Cl8 N8 O8 Zn4 -","4","1","LH6167","Wang, Wei; Li, Jun; Du, GuiXiang; Zhang, Fengxing","[<i>N,N</i>'-Bis(2-furylmethylene)ethylenediamine]dichlorozinc(II)","Acta Crystallographica Section E","2004","60","3","m334","m335","10.1107/S1600536804003915","","","0.71073","MoKα","","0.0471","0.0317","","","0.0794","0.0857","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203311","13.4235","0.0013","12.9358","0.001","8.2935","0.0006","90","","90","","90","","1440.1","0.2","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","2-Bromo-1,3-dipyrrolidin-1-ylpropane-1,3-dionate bromide","","- C11 H18 Br2 N2 O2 -","- C11 H18 Br2 N2 O2 -","- C44 H72 Br8 N8 O8 -","4","0.5","LH6168","Jonathan D. Crane; Richard P. Bunce","2-Bromo-1,3-dipyrrolidin-1-ylpropane-1,3-dionate bromide","Acta Crystallographica Section E","2004","60","3","o414","o415","10.1107/S1600536804003563","","","0.71073","MoKα","","0.0613","0.051","","","0.1209","0.1312","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203312","9.2929","0.0009","10.8379","0.0011","18.7453","0.0019","85.696","0.008","84.306","0.008","83.175","0.008","1861.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[(Z)-3-Dimethylamino-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)- allylidene]dimethylammonium hexafluorophosphate","","- C15 H18 F6 N3 O2 P -","- C15 H18 F6 N3 O2 P -","- C60 H72 F24 N12 O8 P4 -","4","2","LH6170","Jonathan D Crane; Steven M Daniels","[(<i>Z</i>)-3-Dimethylamino-2-(1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)allylidene]dimethylammonium hexafluorophosphate","Acta Crystallographica Section E","2004","60","3","o395","o396","10.1107/S1600536804003447","","","0.71073","MoKα","","0.0881","0.0451","","","0.1085","0.1183","","","","","","0.81","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203313","14.3555","0.0004","4.4969","0.0001","31.4473","0.001","90","","90","","90","","2030.09","0.1","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Phenylbenzaldehydeoxime","","- C13 H11 N O -","- C13 H11 N O -","- C104 H88 N8 O8 -","8","2","LH6171","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(<i>E</i>)-2-Phenylbenzaldehyde oxime forms hydrogen-bonded <i>C</i>~2~^2^(6) chains","Acta Crystallographica Section E","2004","60","3","o422","o424","10.1107/S1600536804003575","","","0.71073","MoKα","","0.0711","0.0452","","","0.0991","0.111","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203314","7.795","0.002","9.734","0.003","17.164","0.005","95.982","0.006","102.332","0.006","110.48","0.005","1168.9","0.6","293","2","","","","","","","","","","4","P -1","-P 1","2","","(2-Pyridinio-2'-pyridyl)amine nitrate hydrate","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C40 H48 N16 O16 -","4","2","LH6172","Miao Du; Xiao-Jun Zhao","2-(2-Pyridylamino)pyridinium nitrate monohydrate: two-dimensional supramolecular aggregation through hydrogen-bonding and π‒π stacking interactions","Acta Crystallographica Section E","2004","60","3","o439","o441","10.1107/S1600536804004015","","","0.71073","MoKα","","0.122","0.0677","","","0.1573","0.1822","","","","","","1.102","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203315","6.572","0.003","6.199","0.003","9.463","0.003","90","","104.54","0.03","90","","373.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1,4-Diacetyl-1,2,4-triazolin-5-one","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C12 H14 N6 O6 -","2","0.5","LH6173","Crockett, Rowena; Forrester, Alexander R.; Howie, R. Alan","1,4-Diacetyl-1,2,4-triazolin-5-one","Acta Crystallographica Section E","2004","60","3","o460","o461","10.1107/S1600536804004027","","","0.71073","MoKα","","0.0526","0.0402","","","0.1033","0.1093","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203316","4.6375","0.0006","11.4064","0.0019","7.1965","0.0011","90","","90","","90","","380.67","0.1","170","2","170","2","","","","","","","","4","P b c m","-P 2c 2b","57","mercuric hydroxide chlorate","mercury(II) hydroxide chlorate(V)","","- Cl H Hg O4 -","- Cl H Hg O4 -","- Cl4 H4 Hg4 O16 -","4","0.5","","Göbbels, Dirk; Wickleder, Mathias S.","Redetermination of mercury(II) hydroxide chlorate(V)","Acta Crystallographica, Section E","2004","60","3","i40","i41","10.1107/S1600536804002648","","","0.71073","MoKα","","0.0269","0.0195","","","0.0406","0.0427","","","","","","0.967","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203317","10.377","0.003","17.876","0.005","7.226","0.002","90","","106.235","0.004","90","","1287","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N4 -","- C16 H10 N4 -","- C64 H40 N16 -","4","1","NA6276","Yin-Xiang Lu; Peng Guo; Yong-zhi Cai; Wei Xu; Lin-Hong Weng; Yong-Ming Huang","(1-Phenyl-2,3-dihydro-1<i>H</i>-benzimidazol-2-ylidene)malonodinitrile","Acta Crystallographica Section E","2004","60","3","o431","o432","10.1107/S1600536804003460","","","0.71073","MoKα","","0.0948","0.0586","","","0.1177","0.1298","","","","","","1.125","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203318","28.912","0.017","28.912","0.017","19.784","0.017","90","","90","","120","","14322","17","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Bis(ferrocenyl methyl ketone thiosemicarbazone-κ^2^N,S)zinc tetrahydrofuran hemisolvate","","- C28 H32 Fe2 N6 O0.5 S2 Zn -","- C28 H32 Fe2 N6 O0.5 S2 Zn -","- C504 H576 Fe36 N108 O9 S36 Zn18 -","18","0.5","NA6282","Li, Xun; Cui, Xue-Gui; Liu, Xin-Gang; Li, Xiao-Fang","Bis(ferrocenyl methyl ketone thiosemicarbazone-κ^2^<i>N</i>,<i>S</i>)zinc tetrahydrofuran hemisolvate","Acta Crystallographica Section E","2004","60","3","m307","m308","10.1107/S1600536804000923","","","0.71073","MoKα","","0.1282","0.0572","","","","0.1937","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203319","8.627","0.005","13.115","0.004","10.299","0.002","90","","90.38","0.02","90","","1165.2","0.8","293","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro(1-methoxymethyl-π-allyl)(pyridine-κN)palladium","","- C10 H14 Cl N O Pd -","- C10 H14 Cl N O Pd -","- C40 H56 Cl4 N4 O4 Pd4 -","4","1","NA6284","Cheshkov, Dmitry A.; Belyaev, Boris A.; Belov, Andrey P.; Rybakov, Victor B.","Chloro(1-methoxymethyl-π-allyl)(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section E","2004","60","3","m300","m301","10.1107/S1600536804001631","","","0.71073","MoKα","","0.0599","0.0413","","","0.0959","0.1051","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203320","8.04","0.0008","7.8514","0.0007","18.1877","0.0016","90","","101.133","0.002","90","","1126.5","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl -","- C14 H13 Cl -","- C56 H52 Cl4 -","4","1","NA6290","Ufuk Çoruh; Tuncer Hökelek; Vázquez-López, Ezequiel M.; Abdullah Menzek; Cavit Kazaz; M. Emin Şengül","<i>exo</i>-(1<i>RS</i>,8<i>SR</i>,9<i>RS</i>,11<i>SR</i>)-10-Chloromethyltetracyclo[6.3.2.0^2,7^0^9,11^]undecane-2,4,6,12-tetraene","Acta Crystallographica Section E","2004","60","3","o350","o352","10.1107/S1600536804001904","","","0.71073","MoKα","","0.0927","0.0418","","","0.0866","0.0975","","","","","","0.848","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203321","13.23","0.01","9.191","0.007","18.3","0.02","90","","110.63","0.08","90","","2083","3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-1-[(2S)-2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]- 1H-imidazole mononitrate","","- C18 H15 Cl4 N3 O4 -","- C18 H15 Cl4 N3 O4 -","- C72 H60 Cl16 N12 O16 -","4","2","NA6291","Oswald M. Peeters; Norbert M. Blaton; Christine Aeschlimann; Joseph Gal","(+)-1-{(2<i>S</i>)-2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1<i>H</i>-imidazole mononitrate [(+)-(<i>S</i>)-miconazole nitrate]","Acta Crystallographica Section E","2004","60","3","o365","o366","10.1107/S1600536804003058","","","0.71073","MoKα","","0.0759","0.0422","","0.1011","","0.1011","","","1.032","","","1.032","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203322","10.374","0.0005","10.8633","0.0007","13.2251","0.0004","67.725","0.003","79.262","0.004","65.743","0.004","1256.6","0.12","293","","","","","","","","","","","5","P 1","P 1","1","","(+)-cis-1-Acetyl-4-[4-[[(2R,4S)-2-(2,4-dichloro-phenyl) -2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine,","","- C26 H28 Cl2 N4 O4 -","- C26 H28 Cl2 N4 O4 -","- C52 H56 Cl4 N8 O8 -","2","2","NA6292","Oswald M. Peeters; Norbert M. Blaton; John G. Gerber; Joseph Gal","(+)-<i>cis</i>-1-Acetyl-4-(4-{[(2<i>R</i>,4<i>S</i>)-2-(2,4-dichlorophenyl)-2-(1<i>H</i>-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine [(2<i>R</i>,4<i>S</i>)-(+)-ketoconazole]","Acta Crystallographica Section E","2004","60","3","o367","o369","10.1107/S1600536804003046","","","1.54178","CuKα","","0.0394","0.0385","","0.1083","","0.1083","","","1.05","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203323","6.1137","0.0002","11.2202","0.0003","15.9632","0.0006","90","","91.0483","0.0018","90","","1094.84","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-6-methyl-2-(sulfonatoethylsulfanyl)pyrimidin-1-ium monohydrate","","- C7 H12 N2 O5 S2 -","- C7 H12 N2 O5 S2 -","- C28 H48 N8 O20 S8 -","4","1","NA6293","Daniel E. Lynch; Ian McClenaghan","4-Hydroxy-6-methyl-2-(sulfonatoethylsulfanyl)pyrimidin-1-ium monohydrate","Acta Crystallographica Section E","2004","60","3","o376","o377","10.1107/S1600536804003204","","","0.71073","MoKα","","0.0423","0.0321","","","0.0771","0.0819","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203324","9.4076","0.0012","6.8574","0.0009","16.242","0.002","90","","90","","90","","1047.8","0.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Dimethyl 4-bromo-1-methyl-3,5-pyrazoledicarboxylate","Dimethyl 4-bromo-1-methyl-3,5-pyrazoledicarboxylate","","- C8 H9 Br N2 O4 -","- C8 H9 Br N2 O4 -","- C32 H36 Br4 N8 O16 -","4","0.5","NA6296","Huo, Fangjun; Guo, Wei; Yin, Caixia; Yang, Pin; Xia, Chizhong","Dimethyl 4-bromo-1-methyl-3,5-pyrazoledicarboxylate","Acta Crystallographica Section E","2004","60","3","o416","o418","10.1107/S1600536804003629","","","0.71073","MoKα","","0.0406","0.0308","","","0.0782","0.0828","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203325","14.3699","0.0014","7.5806","0.0004","13.1208","0.0014","90","","114.879","0.007","90","","1296.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydro-4-phenyl-1,4-benzoxazine-6,7-dicarbonitrile","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C64 H44 N12 O4 -","4","1","NA6297","Karadayı, Nevzat; Akyüz, Emine; Kahveci, Bahittin; Ağar, Erbil; S̨aşmaz, Selami; Büyükgüngör, Orhan","2,3-Dihydro-4-phenyl-1,4-benzoxazine-6,7-dicarbonitrile","Acta Crystallographica Section E","2004","60","3","o450","o452","10.1107/S1600536804003861","","","0.71073","MoKα","","0.0669","0.0381","","","0.0893","0.0978","","","","","","0.906","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203326","7.0566","0.0005","8.3022","0.0006","14.8495","0.001","104.593","0.002","93.149","0.001","112.148","0.001","768.79","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis[2,5-bis(4-pyridyl)-1,3,4-thiadiazole]dithiocyanatocobalt(II) dihydrate","","- C26 H24 Co N10 O4 S4 -","- C26 H24 Co N10 O4 S4 -","- C26 H24 Co N10 O4 S4 -","1","0.5","NG6011","Miao Du; Xiao-Jun Zhao","Diaquabis[2,5-bis(4-pyridyl)-1,3,4-thiadiazole]dithiocyanatocobalt(II) dihydrate","Acta Crystallographica Section E","2004","60","3","m267","m269","10.1107/S1600536804002247","","","0.71073","MoKα","","0.0554","0.04","","","0.0944","0.1024","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203327","20.961","0.001","9.7061","0.0005","20.894","0.001","90","","139.336","0.001","90","","2770","0.2","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Benzhydrylsulfinyl)acetamide","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C120 H120 N8 O16 S8 -","8","2","OB6340","Wen Pei; Li Sun; Yueshui Shao; Dongwei Li","2-(Benzhydrylsulfinyl)acetamide","Acta Crystallographica Section E","2004","60","3","o372","o373","10.1107/S1600536804001382","","","0.7107","MoKα","","","0.042","","","","0.115","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203328","8.6363","0.0003","9.6144","0.0003","12.0887","0.0004","107.319","0.001","104.509","0.001","104.854","0.0009","866.18","0.05","297.1","","","","","","","","","","","4","P -1","-P 1","2","","(5SR,6RS)-6-Phenyl-5-(phenylsulfonylacetyl)bicyclo[2.2.1]hept-2-ene","","- C21 H20 O3 S -","- C21 H20 O3 S -","- C42 H40 O6 S2 -","2","1","OB6341","Pei, Wen; Shao, Yueshui; Sun, Li","(5<i>SR</i>,6<i>RS</i>)-6-Phenyl-5-(phenylsulfonylacetyl)bicyclo[2.2.1]hept-2-ene","Acta Crystallographica Section E","2004","60","3","o374","o375","10.1107/S1600536804002089","","","0.7107","MoKα","","","0.039","","","","0.103","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203329","9.011","0.002","9.403","0.002","11.621","0.002","66.49","0.03","67.67","0.03","62.05","0.03","774.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-(3,4-dimethoxyphenyl)-1-phenylpyrazolidin-3-one","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","OB6343","Zhu, Hong-Jun; Ma, Ji; Wei, Chang-Mei; Wang, Jin-Tang","(±)-5-(3,4-Dimethoxyphenyl)-1-phenylpyrazolidin-3-one","Acta Crystallographica Section E","2004","60","3","o411","o413","10.1107/S1600536804003381","","","0.71073","MoKα","","0.0857","0.0651","","","0.2449","0.2753","","","","","","1.178","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203330","8.8268","0.0014","5.9191","0.0006","12.167","0.0019","90","","90.277","0.013","90","","635.68","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[(3-Hydroxypyridin-2-ylamino)methylene]naphthalen-2(1H)-one","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C32 H24 N4 O4 -","2","1","OB6347","Özek, Arzu; Yüce, Süheyla; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","1-[(3-Hydroxypyridin-2-ylamino)methylene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","3","o356","o358","10.1107/S1600536804002971","","","0.71073","MoKα","","0.0523","0.0339","","","0.0676","0.0709","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203331","10.74","0.002","7.5172","0.0015","20.398","0.004","90","","93.4","0.03","90","","1643.9","0.6","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(tetraethylammonium) 2,2'-bipyridine-4,4'-dicarboxylate tetrahydrate","","- C28 H54 N4 O8 -","- C28 H54 N4 O8 -","- C56 H108 N8 O16 -","2","0.5","OB6349","Fujihara, Takashi; Kobayashi, Atsuo; Nagasawa, Akira","Bis(tetraethylammonium) 2,2'-bipyridine-4,4'-dicarboxylate tetrahydrate","Acta Crystallographica Section E","2004","60","3","o353","o355","10.1107/S1600536804002910","","","0.71073","MoKα","","0.0762","0.0586","","","0.1699","0.187","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203332","8.589","0.002","19.126","0.004","10.176","0.002","90","","104.88","0.03","90","","1615.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-Bromo-4-methyl-2-phenylbenzo[de]cyclobut[i] isoquinoline-3,5(2H)-dione","","- C21 H14 Br N O2 -","- C21 H14 Br N O2 -","- C84 H56 Br4 N4 O8 -","4","1","OB6352","Qingjian Liu; Jianhua Xu","9-Bromo-4-methyl-2-phenylbenzo[<i>de</i>]cyclobut[<i>i</i>]isoquinoline-3,5(2<i>H</i>)-dione","Acta Crystallographica Section E","2004","60","3","o466","o467","10.1107/S1600536804004192","","","0.71073","MoKα","","0.1325","0.0481","","","0.1206","0.1631","","","","","","0.903","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203333","9.939","0.003","29.449","0.008","9.747","0.003","90","","111.912","0.004","90","","2646.8","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl N2 O S -","- C14 H13 Cl N2 O S -","- C112 H104 Cl8 N16 O8 S8 -","8","2","OB6353","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","2-Amino-<i>N</i>-(2-chlorophenyl)-5,6-dihydro-4<i>H</i>-cyclopenta[<i>b</i>]thiophene-3-carboxamide","Acta Crystallographica Section E","2004","60","3","o437","o438","10.1107/S1600536804003927","","","0.71073","MoKα","","0.0792","0.0568","","","0.1212","0.1303","","","","","","1.145","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203334","10.715","0.002","11.333","0.002","22.72","0.005","90","","103.3","0.03","90","","2685","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-(8-hydroxyquinolyl)guanidine dihydrochloride","","- C10 H12 Cl2 N4 O -","- C10 H12 Cl2 N4 O -","- C80 H96 Cl16 N32 O8 -","8","1","OB6354","Wei, Chang-Mei; Jiang, Tao; Li, Yi-Zhi; Zhu, Hong-Jun; Wang, Jin-Tang","5-(8-Hydroxyquinolyl)guanidinium dichloride","Acta Crystallographica Section E","2004","60","3","o442","o443","10.1107/S1600536804004040","","","0.71073","MoKα","","0.0511","0.0453","","","0.1369","0.1386","","","","","","1.048","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203335","9.283","0.004","8.416","0.003","12.68","0.005","90","","105.42","0.03","90","","955","0.7","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C32 H52 N4 O12 -","4","1","OB6355","Kazuyuki Takahashi; Taka-aki Okamura; Hitoshi Yamamoto; Norikazu Ueyama","(<i>Z</i>)-4-(<i>tert</i>-Butylamino)-4-oxo-2-butenoic acid","Acta Crystallographica Section E","2004","60","3","o448","o449","10.1107/S1600536804004039","","","0.71069","MoKα","","0.1503","0.042","","","0.1035","0.1338","","","","","","0.976","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203336","15.3738","0.0008","7.2254","0.0002","15.9661","0.0009","90","","106.578","0.002","90","","1699.82","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4α)-Kaur-16-en-18-carbonyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside","","- C34 H48 O11 -","- C34 H48 O11 -","- C68 H96 O22 -","2","1","OM6204","Asiloé J. Mora; Gerzon E. Delgado; Gavin B. M. Vaughan; Patrick Martin; Tomás Visbal; Alfredo Usubillaga","A peracetylated glucosyl ester of kaurenic acid","Acta Crystallographica Section E","2004","60","3","o334","o336","10.1107/S1600536804002181","","","0.53378","Synchrotron","","0.048","0.0462","","","0.1239","0.1252","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203337","8.6467","0.0006","20.5855","0.0013","10.9985","0.0008","90","","100.297","0.006","90","","1926.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylate","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","OM6207","Dinçer, Muharrem; Özdemir, Namık; Yıldırım, İsmail; Demir, Elif; Akçamur, Yunus; Işık, Şamil","Methyl 4-benzoyl-1,5-diphenyl-1<i>H</i>-pyrazole-3-carboxylate","Acta Crystallographica Section E","2004","60","3","o317","o319","10.1107/S1600536804000455","","","0.71073","MoKα","","0.0438","0.0262","","","0.0438","0.0447","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203338","9.747","0.004","11.291","0.004","12.297","0.005","84.546","0.007","74.655","0.006","78.378","0.006","1277.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-(2,4-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro- 5H-thiazolo[3,2-a]pyrimidine-6-carboxylate dichloromethane solvate","","- C24 H20 Cl4 N2 O3 S -","- C24 H20 Cl4 N2 O3 S -","- C48 H40 Cl8 N4 O6 S2 -","2","1","OM6208","Liu, Xin-Gang; Feng, Ya-Qing; Li, Xiao-Fang; Liang, Zu-Pei","Ethyl 2-(2,4-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate dichloromethane solvate","Acta Crystallographica Section E","2004","60","3","o344","o345","10.1107/S1600536804002740","","","0.71073","MoKα","","0.1092","0.0588","","","","0.1795","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203339","16.3204","0.0012","17.8489","0.0013","18.6636","0.0014","90","","90","","90","","5436.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","99348z","","","- C19 H41 Cl N4 O6 Zn2 -","- C19 H41 Cl N4 O6 Zn2 -","- C152 H328 Cl8 N32 O48 Zn16 -","8","1","OM6209","McCowan, C. Shawn; Carrie E. Buss; Victor G. Young Jr; McDonnell, Ryan J.; Caudle, M. Tyler","Chloro(diethylamino)tris(μ-diethylcarbamato)dizinc(II): an example of the generality of the threefold paddlewheel structure in carbamatozinc chemistry","Acta Crystallographica Section E","2004","60","3","m285","m287","10.1107/S1600536804002193","","","0.71073","MoKα","","0.0362","0.0232","","","0.0526","0.0564","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203340","26.015","0.01","6.252","0.005","20.412","0.004","90","","109.749","0.016","90","","3125","3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(6-Benzoyl-5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid","","- C17 H12 Cl N O5 -","- C17 H12 Cl N O5 -","- C136 H96 Cl8 N8 O40 -","8","1","OM6211","Abdullah Aydın; Tijen Önkol; Mehmet Akkurt; Orhan Büyükgüngör; Serdar Ünlü","3-(6-Benzoyl-5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid","Acta Crystallographica Section E","2004","60","3","o341","o343","10.1107/S160053680400220X","","","0.71073","MoKα","","0.0763","0.0329","","","0.0776","0.0851","","","","","","0.724","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203341","28.6778","0.001","11.3532","0.0004","12.6453","0.0005","90","","90","","90","","4117.1","0.3","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Tetrakis(1,3-dimethylimidazolidinium-2-dithiocarboxylate-κS)zinc perchlorate","","- C24 H40 Cl2 N8 O8 S8 Zn -","- C24 H40 Cl2 N8 O8 S8 Zn -","- C96 H160 Cl8 N32 O32 S32 Zn4 -","4","0.5","OM6212","Fujihara, Takashi; Sugaya, Tomoaki; Nagasawa, Akira; Nakayama, Juzo","Tetrakis(1,3-dimethylimidazolidinium-2-dithiocarboxylate-κ<i>S</i>)zinc(II) diperchlorate","Acta Crystallographica Section E","2004","60","3","m282","m284","10.1107/S160053680400217X","","","0.71073","MoKα","","0.0886","0.0832","","","0.1702","0.1727","","","","","","1.31","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203342","7.509","0.002","7.777","0.002","8.43","0.002","83.776","0.006","68.993","0.005","71.511","0.005","435.84","0.19","103","1","103","1","","","","","","","","4","P 1","P 1","1","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C20 H25 N O5 -","1","1","OM6213","Deschamps, Jeffrey R.; Coop, Andrew; Parrish, Damon A.; Rice, Kenner C.","7β,14β-Epoxyhydrocodone-6,6-dimethoxy ketal: an unusual oxetane-containing opioid","Acta Crystallographica Section E","2004","60","3","o331","o333","10.1107/S1600536804002077","","","0.71073","MoKα","","0.0321","0.0318","","","0.0832","0.0835","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203343","12.1203","0.0019","12.868","0.002","15.502","0.002","90","","107.481","0.006","90","","2306.1","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu N6 S2 -","- C22 H20 Cu N6 S2 -","- C88 H80 Cu4 N24 S8 -","4","0.5","OM6214","Gary, John Brannon; Kautz, Jason A.; Klausmeyer, Kevin K.; Wong, Ching-Wah","Diisothiocyanatotetrapyridinecopper(II)","Acta Crystallographica Section E","2004","60","3","m328","m329","10.1107/S1600536804003836","","","0.71073","MoKα","","0.0237","0.0218","","","0.0619","0.0631","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203344","5.239","0.004","23.709","0.019","5.669","0.005","90","","111.708","0.013","90","","654.2","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1SR,2SR,4SR)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","OM6216","Gartenmann Dickson, Lukas; Hauser, Jürg; Blaser, Adrian; Reymond, Jean-Louis; Bürgi, Hans-Beat","(1<i>SR</i>,2<i>SR</i>,4<i>SR</i>)-7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid","Acta Crystallographica Section E","2004","60","3","o381","o382","10.1107/S1600536804003198","","","0.71073","MoKα","","0.0489","0.0428","","","0.1107","0.1151","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203345","10.097","0.002","12.977","0.002","14.86","0.002","88.86","0.01","75.41","0.01","73.86","0.01","1807.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Dinitratoaquabis(3-pyrazolidinone, 1,5-dimethyl-2-phenyl-4-[{(E)-4-pyridinylmethylidene}amino])nickel(II)","Aquabis(1,5-dimethyl-2-phenyl-4-{[(E)-4-pyridylmethylene- κN]amino}pyrazolidin-3-one)dinitratonickel(II)","","- C34 H34 N10 Ni O9 -","- C34 H34 N10 Ni O9 -","- C68 H68 N20 Ni2 O18 -","2","1","RN6009","Hong Liang; Xian-Wen Wang; Zhen-Feng Chen; Ling Huang; Hong-Li Zou; Jian Zhou; Kai-Bei Yu","Aquabis(1,5-dimethyl-2-phenyl-4-{[(<i>E</i>)-4-pyridylmethylene-κ<i>N</i>]amino}pyrazolidin-3-one)dinitratonickel(II)","Acta Crystallographica Section E","2004","60","3","m294","m296","10.1107/S1600536804002636","","","0.71073","MoKα","","0.054","0.038","","","0.0901","0.0945","","","","","","0.977","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203346","15.615","0.004","10.543","0.004","20.403","0.005","90","","92.4","0.02","90","","3356","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(anilinium) hexachlorotin(IV) dichloride","","- C24 H32 Cl8 N4 Sn -","- C24 H32 Cl8 N4 Sn -","- C96 H128 Cl32 N16 Sn4 -","4","1","RN6013","Rademeyer, Melanie","Tetrakis(anilinium) hexachlorotin(IV) dichloride","Acta Crystallographica Section E","2004","60","3","m345","m347","10.1107/S1600536804004258","","","0.71073","MoKα","","0.1153","0.0428","","","0.0847","0.1038","","","","","","0.918","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203347","11.712","0.004","12.708","0.004","15.354","0.005","80.869","0.004","68.461","0.004","73.281","0.004","2032.2","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H60 N8 -","- C45 H60 N8 -","- C90 H120 N16 -","2","1","SU6074","Wei Xu; Yin-Xiang Lu; Peng Guo; Hui Zhou; Bi-Jian Lan","Tetrakis[(4-phenylpiperazin-1-yl)methyl]methane","Acta Crystallographica Section E","2004","60","3","o428","o430","10.1107/S1600536804002016","","","0.71073","MoKα","","0.1197","0.0607","","","0.1277","0.1561","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203348","15.0815","0.001","3.8941","0.0003","26.0597","0.0016","90","","98.498","0.002","90","","1513.65","0.18","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Diacenaphtheno[7,8-b:7^1^,8^1^-d]thiophene","","- C24 H12 S -","- C24 H12 S -","- C96 H48 S4 -","4","1","SU6075","Oliver C. Musgrave; Janet M. S. Skakle","Diacenaphtheno[7,8-<i>b</i>:7^1^,8^1^-<i>d</i>]thiophene","Acta Crystallographica Section E","2004","60","3","o359","o360","10.1107/S160053680400265X","","","0.71073","MoKα","","0.1126","0.0616","","","0.1266","0.1447","","","","","","0.986","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203349","9.786","0.003","10.55","0.004","15.603","0.005","97.04","0.02","91.47","0.02","94.66","0.02","1592.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Cl2 N6 O12 Zn -","- C24 H30 Cl2 N6 O12 Zn -","- C48 H60 Cl4 N12 O24 Zn2 -","2","1","SU6076","Elguja B. Miminoshvili; Alexandre N. Sobolev; Ketevan E. Miminoshvili; Tamara N. Sakvarelidze","Bis(piperidinium) <i>trans</i>-dichlorobis(3,5-dinitrobenzoato)zincate(II)","Acta Crystallographica Section E","2004","60","3","m319","m321","10.1107/S160053680400337X","","","0.71069","MoKα","","0.0322","0.0322","","","0.0845","0.0845","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203350","11.228","0.0011","7.222","0.0011","13.3393","0.0016","90","","97.8","0.01","90","","1071.7","0.2","296","1","296","1","","","","","","","","5","C 1 2 1","C 2y","5","(S)-(-)-α-Methylbenzylammonium tetrachloropalladate(II)","(S)-(-)-1-Phenylethylammonium tetrachloropalladate(II)","","- C16 H24 Cl4 N2 Pd -","- C16 H24 Cl4 N2 Pd -","- C32 H48 Cl8 N4 Pd2 -","2","0.5","SU6077","Cruz-Cruz, Sandra; Rodríguez-Pastrana, Modesto; Bernès, Sylvain; Gutiérrez-Pérez, René","Bis[(<i>S</i>)-(‒)-1-phenylethylammonium] tetrachloropalladate(II)","Acta Crystallographica Section E","2004","60","3","m342","m344","10.1107/S1600536804003411","","","0.71073","MoKα","","0.0287","0.0276","","","0.0731","0.0744","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203351","10.056","0.004","12.014","0.007","12.842","0.008","107.11","0.05","94.83","0.05","111.92","0.04","1342.3","1.5","240","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 In N4 -","- C30 H31 In N4 -","- C60 H62 In2 N8 -","2","1","TK6150","Aris, Damian R.; Barker, James; Errington, William; Wallbridge, Malcolm G. H.","Bis(<i>N,N</i>'-diphenylacetamidinato)ethylindium(III)","Acta Crystallographica Section E","2004","60","3","m302","m303","10.1107/S1600536804002867","","","0.71073","MoKα","","","0.048","","","","0.124","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203352","11.969","0.003","14.326","0.003","12.622","0.003","90","","113.604","0.003","90","","1983.2","0.8","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(8-quinolyloxymethyl)benzene","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","TK6152","Steel, Peter J.; Al-Mandhary, Muna R. A.","1,4-Bis(8-quinolyloxymethyl)benzene","Acta Crystallographica Section E","2004","60","3","o346","o347","10.1107/S1600536804002879","","","0.71073","MoKα","","0.055","0.041","","","0.1","0.107","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203353","15.7515","0.0015","8.2452","0.0017","15.673","0.002","90","","110.153","0.009","90","","1910.9","0.5","295","","295","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H22 N2 O6 S -","- C16 H22 N2 O6 S -","- C64 H88 N8 O24 S4 -","4","1","TK6153","Laurent F. Bornaghi; Sally-Ann Poulsen; Peter C. Healy","<i>N</i>-Allyl-<i>N</i>-(2-nitrobenzenesulfonyl)-<small>L</small>-leucine methyl ester","Acta Crystallographica Section E","2004","60","3","o383","o385","10.1107/S1600536804003186","","","0.7107","MoKα","","0.075","0.04","","","0.104","0.12","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203354","10.8426","0.001","21.704","0.002","11.0967","0.0009","90","","107.92","0.007","90","","2484.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Bis(2-tert-butylphenoxy)phthalonitrile","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","WK6008","Ocak, Nazan; Işık, Şamil; Akdemir, Nesuhi; Kantar, Cihan; Aǧar, Erbil","4,5-Bis(2-<i>tert</i>-butylphenoxy)phthalonitrile","Acta Crystallographica Section E","2004","60","3","o361","o362","10.1107/S1600536804002156","","","0.71073","MoKα","","0.0893","0.0397","","","0.0951","0.1076","","","","","","0.804","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203355","12.646","0.002","10.518","0.001","12.904","0.002","90","","98.703","0.002","90","","1696.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-[2-(N,N-Diethylamino)glyoxyloyl]-1H-indol-4-yl acetate monohydrate","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","WK6010","Wu, Hai-Qiang; Zhou, Jin-Lin; Huang, Zhi-Shu; Gu, Lian-Quan; Ng, Seik Weng","3-[2-(<i>N</i>,<i>N</i>-Diethylamino)glyoxyloyl]-1<i>H</i>-indol-4-yl acetate monohydrate","Acta Crystallographica Section E","2004","60","3","o337","o338","10.1107/S1600536804002211","","","0.71073","MoKα","","0.0526","0.0404","","","0.1164","0.1279","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203356","10.736","0.002","12.803","0.003","14.877","0.003","105.5","0.03","105.13","0.03","97.43","0.03","1858.1","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- H36.5 Na5.5 O41 Pt W6 -","- Na5.5 O41 Pt W6 -","- Na11 O82 Pt2 W12 -","2","1","WM6009","Lee, Uk; Joo, Hea-Chung","A novel protonated hexatungstoplatinate(IV), Na~5.5~[H~2.5~PtW~6~O~24~]·17H~2~O","Acta Crystallographica Section E","2004","60","3","i33","i36","10.1107/S1600536804002302","","","0.71069","MoKα","","0.052","0.0387","","","0.0886","0.0979","","","","","","1.132","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203357","6.9928","0.0006","8.7617","0.0004","15.0426","0.001","90","","90","","90","","921.64","0.11","299","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Sodium pentafluorouranate(IV) monohydrate","","- F5 H2 Na O U -","- F5 H Na O U -","- F40 H8 Na8 O8 U8 -","8","1","WM6010","Andreas Fischer; Zoltán Szabó","Sodium pentafluorouranate(IV) monohydrate, Na[UF~5~]·H~2~O","Acta Crystallographica Section E","2004","60","3","i45","i46","10.1107/S1600536804003241","","","0.71073","MoKα","","0.0295","0.0229","","","0.0459","0.0475","","","","","","1.253","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203358","15.423","0.002","19.0022","0.0009","7.6423","0.0007","90","","90","","90","","2239.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H8 Mo4 N2 O13 -","- Mo4 N2 O13 -","- Mo32 N16 O104 -","8","1","WM6011","Alexander Briceño; Reinaldo Atencio","[(NH~4~)~2~(Mo~4~O~13~)]~<i>n~</i>: a novel two-dimensional polyoxomolybdate(VI) framework","Acta Crystallographica Section E","2004","60","3","i47","i49","10.1107/S160053680400385X","","","0.71073","MoKα","","0.0397","0.0374","","","0.1025","0.1042","","","","","","1.242","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203359","5.194","0.005","20.102","0.005","6.914","0.005","90","","102.573","0.005","90","","704.6","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Furan-2-yl-1,3,4-oxadiazole-2(3H)-thione","","- C6 H4 N2 O2 S -","- C6 H4 N2 O2 S -","- C24 H16 N8 O8 S4 -","4","1","WN6214","Sema Öztürk; Mehmet Akkurt; Ahmet Cansız; Ahmet Çetin; Mehmet Şekerci; Frank W. Heinemann","5-(Furan-2-yl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","3","o322","o323","10.1107/S1600536804001977","","","0.71069","MoKα","","0.0383","0.0301","","","0.1016","0.1073","","","","","","1.089","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203360","6.809","0.004","20.164","0.01","7.062","0.006","90","","93.33","0.05","90","","968","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(melaminium) terephthalate dihydrate","","- C14 H22 N12 O6 -","- C14 H22 N12 O6 -","- C28 H44 N24 O12 -","2","0.5","WN6215","Jian Zhang; Yao Kang; Yi-Hang Wen; Zhao-Ji Li; Ye-Yan Qin; Yuan-Gen Yao","Bis(melaminium) terephthalate dihydrate","Acta Crystallographica Section E","2004","60","3","o462","o463","10.1107/S1600536804003514","","","0.71073","MoKα","","","0.0669","","","0.1511","0.1741","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203361","9.184","0.002","14.147","0.003","17.302","0.004","90","","100.074","0.004","90","","2213.3","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-pyrazoledicarboxylic acid diethyl ester","diethyl 1H-pyrazole-3,5-dicarboxylate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C72 H96 N16 O32 -","8","2","WW6160","Yin, Caixia; Huo, Fangjun; Gao, Fei; Yang, Pin","Diethyl 1<i>H</i>-pyrazole-3,5-dicarboxylate","Acta Crystallographica Section E","2004","60","3","o320","o321","10.1107/S1600536804001928","","","0.71073","MoKα","","0.1588","0.0469","","","0.0846","0.1133","","","","","","0.813","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203362","4.869","0.002","13.902","0.005","11.839","0.004","90","","97.93","0.006","90","","793.7","0.5","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-Pyridyl)-1,3,4-oxadiazole-2(3H)-thione","","- C7 H5 N3 O S -","- C7 H5 N3 O S -","- C28 H20 N12 O4 S4 -","4","1","WW6163","Du, Miao; Zhao, Xiao-Jun; Guo, Jian-Hua","5-(4-Pyridyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","3","o327","o328","10.1107/S1600536804001916","","","0.71073","MoKα","","0.0791","0.0447","","","0.0818","0.092","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203363","13.9921","0.0001","8.903","0.0001","24.9658","0.0003","90","","96.259","0.001","90","","3091.49","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentacyanoferrate(III)-μ-cyano-triaquatetrakis- (dimethylformamide)gadolinium(III) hydrate","","- C18 H36 Fe Gd N10 O8 -","- C18 H36 Fe Gd N10 O8 -","- C72 H144 Fe4 Gd4 N40 O32 -","4","1","YA6185","Jian-Rong Li; Li-Zhen Cai; Guo-Cong Guo; Xian-He Bu; Jin-Shun Huang","Pentacyanoferrate(III)-μ-cyano-[triaquatetrakis(dimethylformamide)gadolinium(III)] monohydrate","Acta Crystallographica Section E","2004","60","3","m259","m261","10.1107/S160053680400193X","","","0.71073","MoKα","","0.045","0.034","","","0.072","0.078","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203364","7.69","0.001","17.93","0.001","7.095","0.001","90","","95.7","0.01","90","","973.4","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Acetylanilinium chloride monohydrate","","- C8 H12 Cl N O2 -","- C8 H12 Cl N O2 -","- C32 H48 Cl4 N4 O8 -","4","1","YA6193","Ersanlı, Cem Cüneyt; Odabaşoǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Erdönmez, Ahmet","4-Acetylanilinium chloride monohydrate","Acta Crystallographica Section E","2004","60","3","o397","o398","10.1107/S1600536804002569","","","0.71073","MoKα","","0.04","0.032","","","0.068","0.07","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203365","6.7202","0.0016","10.131","0.003","17.813","0.004","90","","97.884","0.004","90","","1201.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-[hydroxy(4-nitrophenyl)methyl]-cyclohex-2-en-1-one","2-[hydroxy(4-nitrophenyl)methyl]-cyclohex-2-en-1-one","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","YA6194","Huo, Fangjun; Yin, Caixia; Guo, Wei; Xia, Chizhong; Yang, Pin","The Baylis‒Hillman adduct of 4-nitrobenzaldehyde and cyclohex-2-en-1-one: 2-[hydroxy(4-nitrophenyl)methyl]-cyclohex-2-en-1-one","Acta Crystallographica Section E","2004","60","3","o419","o421","10.1107/S1600536804003587","","","0.71073","MoKα","","0.085","0.056","","","0.131","0.146","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203366","8.3592","0.001","7.53","0.0005","31.368","0.003","90","","97.4","0.009","90","","1958","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,7-Bis(3',4'-dicyanophenoxy)naphthalene","4,4'-Naphthalene-2,7-dioxydibenzene-1,2-dicarbonitrile","","- C26 H12 N4 O2 -","- C26 H12 N4 O2 -","- C104 H48 N16 O8 -","4","1","YA6196","Ocak, Nazan; Işık, Şamil; Akdemir, Nesuhi; Ağar, Erbil; Gümrükçüoğlu, Ismail Erdem","2,7-Bis(3,4-dicyanophenoxy)naphthalene","Acta Crystallographica Section E","2004","60","3","o435","o436","10.1107/S1600536804003630","","","0.71073","MoKα","","0.09","0.036","","","0.074","0.084","","","","","","0.77","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203367","38.939","0.003","4.9902","0.0003","8.904","0.0005","90","","95.896","0.002","90","","1721.01","0.19","150","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-di-n-tetradecylpyromellitic diimide","","- C38 H60 N2 O4 -","- C38 H60 N2 O4 -","- C76 H120 N4 O8 -","2","0.5","AC6083","Daniel E. Lynch; Darren G. Hamilton","<i>N</i>,<i>N</i>'-Di-<i>n</i>-tetradecylpyromellitic diimide","Acta Crystallographica Section E","2004","60","4","o597","o598","10.1107/S1600536804006038","","","0.71073","MoKα","","0.161","0.0594","","","0.1322","0.2029","","","","","","0.968","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203368","11.2818","0.0005","12.4987","0.0006","13.8074","0.0005","90","","91.209","0.001","90","","1946.52","0.15","297.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","AC6085","Delong Shen; Jianquan Weng; Chengxia Tan; Aishu Tang","3-Benzoylthiazolidin-2-one","Acta Crystallographica Section E","2004","60","4","o602","o603","10.1107/S160053680400604X","","","0.7107","MoKα","","","0.035","","","","0.093","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203369","7.946","0.003","12.385","0.004","12.741","0.004","90","","100.789","0.005","90","","1231.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorobis(1-methylimidazole)zinc(II)","","- C8 H12 Cl2 N4 Zn -","- C8 H12 Cl2 N4 Zn -","- C32 H48 Cl8 N16 Zn4 -","4","1","AC6087","Musie, Ghezai T.; Li, Xiaobao; Powell, Douglas R.","Dichlorobis(1-methylimidazole)zinc(II)","Acta Crystallographica Section E","2004","60","4","m471","m472","10.1107/S1600536804006579","","","0.71073","MoKα","","0.023","0.0219","","","0.0585","0.0591","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203370","5.555","0.001","27.83","0.009","6.842","0.002","90","","107.56","0.02","90","","1008.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RbMn~6~(As~2~O~7~)~2~(As~3~O~10~)","Rubidium manganese arsenate(1;6;7)","","- As7 Mn6 O24 Rb -","- As7 Mn6 O24 Rb -","- As14 Mn12 O48 Rb2 -","2","0.5","BR6138","Ayed,Brahim; Haj Abbdallah,Anissa; Hadded,Amor","RbMn~6~(As~2~O~7~)~2~(As~3~O~10~): a new manganese(II) arsenate","Acta Crystallographica, Section E","2004","60","4","i52","i54","10.1107/S1600536804004544","","","0.71073","MoKα","","0.0632","0.0371","","","0.0949","0.1106","","","","","","1.094","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203371","10.028","0.001","10.591","0.001","12.109","0.003","113.13","0.01","107.17","0.01","99.48","0.01","1070.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- H46 Na6 O46 Pt W6 -","- Na6 O46 Pt W6 -","- Na6 O46 Pt W6 -","1","0.5","BR6139","Lee, Uk; Joo, Hea-Chung; Park, Ki-Min","A diprotonated hexatungstoplatinate(IV), Na~6~[H~2~PtW~6~O~24~]·22H~2~O","Acta Crystallographica Section E","2004","60","4","i55","i57","10.1107/S1600536804004970","","","0.71069","MoKα","","0.0444","0.0354","","","0.0886","0.0964","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203372","9.8825","0.0007","9.8825","0.0007","9.8825","0.0007","90","","90","","90","","965.16","0.12","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Ba3 O24 P6 V4 -","- Ba3 O24 P6 V4 -","- Ba6 O48 P12 V8 -","2","0.166667","BR6140","Droß, Thomas; Glaum, Robert","The langbeinite-type barium vanadium(III) orthophosphate, Ba~3~V~4~(PO~4~)~6~","Acta Crystallographica Section E","2004","60","4","i58","i60","10.1107/S1600536804005689","","","0.71073","MoKα","","0.027","0.027","","","0.0586","0.059","","","","","","1.131","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33",""
"2203373","6.9009","0.0002","31.1833","0.0009","10.7808","0.0003","90","","98.312","0.001","90","","2295.58","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aqua(1,10-phenanthroline)copper(II)]-μ-isophthalato] N,N -dimethylformamide solvate monohydrate]","","- C23 H23 Cu N3 O7 -","- C23 H23 Cu N3 O7 -","- C92 H92 Cu4 N12 O28 -","4","1","BR6142","Hong-Ping Xiao; Xin-Hua Li; Mao-Lin Hu","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline)copper(II)]-μ-isophthalato] <i>N,N</i>-dimethylformamide solvate monohydrate]","Acta Crystallographica Section E","2004","60","4","m468","m470","10.1107/S1600536804006592","","","0.71073","MoKα","","0.0425","0.0391","","","0.1149","0.1171","","","","","","1.075","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203374","7.003","0.002","13.219","0.002","23.779","0.004","90","","91.64","0.03","90","","2200.4","0.8","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","10,10-Bis(trimethylsilylethynyl)-9-methylenefluorene","9-[bis(trimethylsilylethynyl)methylene]fluorene","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C96 H104 Si8 -","4","1","BT6415","Jones, Peter G.; Berger, Harald; Bubenitschek, Peter; Hopf, Henning","10,10-Bis(trimethylsilylethynyl)-9-methylenefluorene","Acta Crystallographica Section E","2004","60","4","o490","o491","10.1107/S1600536804004428","","","0.71073","MoKα","","0.1247","0.0595","","","0.1105","0.1374","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203375","11.933","0.002","18.398","0.004","12.509","0.003","90","","90.85","0.03","90","","2746","1","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","10,10-Bis(trimethylsilylethynyl)-9-methylene-fluorene‒ tetracyano-para-quinodimethane (2/1)","9-[bis(trimethylsilylethynyl)methylene]fluorene‒tetracyano-para-quinodimethane (2/1)","","- C60 H56 N4 Si4 -","- C60 H56 N4 Si4 -","- C120 H112 N8 Si8 -","2","0.5","BT6416","Jones, Peter G.; Berger, Harald; Bubenitschek, Peter; Hopf, Henning","10,10-Bis(trimethylsilylethynyl)-9-methylenefluorene‒tetracyano-<i>para</i>-quinodimethane (2/1)","Acta Crystallographica Section E","2004","60","4","o492","o493","10.1107/S160053680400443X","","","0.71073","MoKα","","0.0626","0.0436","","","0.0978","0.1105","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203376","7.888","0.0003","22.9733","0.0009","10.3234","0.0004","90","","111.704","0.001","90","","1738.12","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(1,4-Diazoniabicyclo[2,2,2]octane)octamolybdate tetrahydrate","","- C12 H36 Mo8 N4 O30 -","- C12 H36 Mo8 N4 O30 -","- C24 H72 Mo16 N8 O60 -","2","0.5","BT6417","Fang, Rui-Qin; Zhang, Xian-Ming; Wu, Hai-Shun; Ng, Seik Weng","Bis(1,4-Diazoniabicyclo[2.2.2]octane) octamolybdate(VI) tetrahydrate","Acta Crystallographica Section E","2004","60","4","m359","m361","10.1107/S1600536804004647","","","0.71073","MoKα","","0.022","0.021","","","0.054","0.054","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203377","8.0122","0.0011","6.9993","0.0006","36.417","0.004","90","","91.945","0.005","90","","2041.1","0.4","291","1","291","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (Z,Z)-α-(methoxyimino)-2-[({1-[3- (trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl]benzeneacetate","","- C20 H19 F3 N2 O4 -","- C20 H19 F3 N2 O4 -","- C80 H76 F12 N8 O16 -","4","1","BT6418","Banerjee, Kaushik; Ligon, Axel Patrick; Schürmann, Markus; Preut, Hans; Spiteller, Michael","Methyl (<i>Z</i>,<i>Z</i>)-α-(methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetate","Acta Crystallographica Section E","2004","60","4","o525","o526","10.1107/S1600536804004738","","","0.71073","MoKα","","0.1242","0.0339","","","0.0588","0.0691","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2203378","9.4878","0.0008","22.4857","0.0018","12.6805","0.001","90","","101.5","0.002","90","","2650.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2'-(4-Bromobenzoyl)acenaphthene-1-spiro-3'-pyrrolizidine-1'-spiro-3''- indole-2,2''(1H,3''H)-dione monohydrate","","- C32 H25 Br N2 O4 -","- C32 H25 Br N2 O4 -","- C128 H100 Br4 N8 O16 -","4","1","BT6419","Govind, M. M.; Selvanayagam, S.; Velmurugan, D.; Ravikumar, K.; Suresh Babu, A. R.; Raghunathan, R.","2'-(4-Bromobenzoyl)acenaphthene-1-spiro-3'-pyrrolizidine-1'-spiro-3''-indole-2,2''(1<i>H</i>,3''<i>H</i>)-dione monohydrate","Acta Crystallographica Section E","2004","60","4","o604","o606","10.1107/S1600536804005422","","","0.71073","MoKα","","0.1218","0.0586","","","0.1432","0.1735","","","","","","0.985","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2203379","23.285","0.002","7.8966","0.0007","15.1669","0.0014","90","","96.979","0.002","90","","2768.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Dibromo-1'-methyl-2'-(4-methoxybenzoyl)-1H-indole-3-spiro-2'-pyrrolidine- 3'-spiro-3''-1H-indole-2,2''(3H,3''H)-dione methanol solvate","","- C28 H25 Br2 N3 O5 -","- C28 H25 Br2 N3 O5 -","- C112 H100 Br8 N12 O20 -","4","1","BT6420","P.R.Seshadri; S.Selvanayagam; D.Velmurugan; K.Ravikumar; A.R.Sureshbabu; R.Raghunathan","5,7-Dibromo-1'-methyl-2'-(4-methoxybenzoyl)-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-3''-1<i>H</i>-indole-2,2''(3<i>H</i>,3''<i>H</i>)-dione methanol solvate","Acta Crystallographica Section E","2004","60","4","o550","o552","10.1107/S1600536804005045","","","0.71073","MoKα","","0.0924","0.0481","","","0.12","0.1412","","","","","","0.986","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203380","5.1304","0.0007","7.6367","0.0011","8.6076","0.0012","90","","105.443","0.002","90","","325.06","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Polymeric bis(glycolato)nickel(II)","poly[nickel(II)-bis(α-hydroxyacetato-κ^3^O^1^,O^2^:O^1'^)]","","- C4 H6 Ni O6 -","- C4 H6 Ni O6 -","- C8 H12 Ni2 O12 -","2","0.5","BT6422","Qing-Qing Kang; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Polymeric bis(glycolato)nickel(II)","Acta Crystallographica Section E","2004","60","4","m406","m407","10.1107/S1600536804005744","","","0.71073","MoKα","","0.0218","0.0209","","","0.0555","0.056","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203381","7.1028","0.0007","9.5705","0.001","17.77","0.0019","78.002","0.002","82.925","0.008","78.016","0.008","1151.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4,4'-(4,4'-thiodiphenoxy)diphthalonitrile","","- C28 H14 N4 O2 S -","- C28 H14 N4 O2 S -","- C56 H28 N8 O4 S2 -","2","1","BT6423","Petek, Hande; Akdemir, Nesuhi; Özil, Musa; Aǧar, Erbil; Şenel, İsmet","4,4'-(4,4'-Thiodiphenoxy)diphthalonitrile","Acta Crystallographica Section E","2004","60","4","o621","o622","10.1107/S1600536804006178","","","0.71073","MoKα","","0.0743","0.0344","","","0.0612","0.0681","","","","","","0.776","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203382","9.9076","0.0009","11.2342","0.001","18.701","0.0016","90","","92.602","0.002","90","","2079.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","α-{3-[2-(Dimethylammonio)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide (sumatriptan) succinate","","- C18 H27 N3 O6 S -","- C18 H27 N3 O6 S -","- C72 H108 N12 O24 S4 -","4","1","BT6424","K. Ravikumar; G. Y. S. K. Swamy; Harihara Krishnan","α-{3-[2-(Dimethylammonio)ethyl]-1<i>H</i>-indol-5-yl}-<i>N</i>-methylmethanesulfonamide succinate (sumatriptan succinate)","Acta Crystallographica Section E","2004","60","4","o618","o620","10.1107/S1600536804005896","","","0.71073","MoKα","","0.0857","0.0639","","","0.1461","0.1576","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203383","8.156","0.004","18.251","0.005","5.172","0.007","90","","90","","90","","769.9","1.1","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","N,N'-diacetyl-1,3-diazo-2-one","1,3-diacetyl-4-imidazolin-2-one","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","1","BT6425","Crockett, Rowena; Forrester, Alexander R.; Howie, R. Alan","1,3-Diacetyl-4-imidazolin-2-one","Acta Crystallographica Section E","2004","60","4","o558","o560","10.1107/S1600536804005756","","","0.71073","MoKα","","0.1073","0.0558","","","0.0985","0.1132","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203384","9.6357","0.0005","10.5295","0.0005","17.7932","0.0009","90","","94.953","0.001","90","","1798.54","0.16","115","2","115","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Dihydronium 2,6-diaminopyridinium tris(2,6-pyridinedicarboxylato)ytterbate(III) dihydrate","","- C31 H34 N9 O16 Yb -","- C31 H34 N9 O16 Yb -","- C62 H68 N18 O32 Yb2 -","2","0.5","CF6321","Rafizadeh, Masoud; Ranjbar, M.; Amani, V.","Dihydronium 2,6-diaminopyridinium tris(2,6-pyridinedicarboxylato)ytterbate(III) dihydrate","Acta Crystallographica Section E","2004","60","4","m479","m481","10.1107/S1600536804006415","","","0.71073","MoKα","","0.0357","0.0283","","","0.0579","0.0589","","","","","","0.894","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203385","8.729","0.001","9.267","0.001","16.942","0.001","90","","99.52","0.02","90","","1351.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{μ-N-[(1-methylimidazol-2-yl)methyl]-β-alanine}bis[dichlorozinc(II)] dihydrate","","- C16 H30 Cl4 N6 O6 Zn2 -","- C16 H30 Cl4 N6 O6 Zn2 -","- C32 H60 Cl8 N12 O12 Zn4 -","2","0.5","CF6326","Yang, Shi-Ping; Chen, Hong-Mei; Zhang, Fan; Chen, Qiong Qiong; Yu, Xi-Bin","Bis{μ-<i>N</i>-[(1-methylimidazol-2-yl)methyl]-β-alanine}bis[dichlorozinc(II)] dihydrate","Acta Crystallographica Section E","2004","60","4","m465","m467","10.1107/S1600536804006610","","","0.71073","MoKα","","0.1494","0.0835","","","0.199","0.233","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203386","9.244","0.003","12.115","0.003","14.2116","0.0019","90","","95.78","0.02","90","","1583.5","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]-3-phenylpropaneamide","2-[(2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]-3-phenylpropaneamide","","- C15 H27 N2 O4.5 -","- C15 H17 N2 O4.5 -","- C60 H68 N8 O18 -","4","2","CF6327","Kolev, Tsonko; Petrova, Rosica; Spiteller, Michael","(<i>R</i>)-2-[(2-Ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino]-3-phenylpropanamide hemihydrate","Acta Crystallographica Section E","2004","60","4","o634","o636","10.1107/S1600536804006361","","","0.71073","MoKα","","0.106","0.0416","","","0.1033","0.1336","","","","","","0.888","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203387","15.7919","0.0002","14.3952","0.0002","17.9788","0.0002","90","","90.7217","0.0006","90","","4086.75","0.09","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Ir3 O7 W -","- C45 H35 Ir3 O7 W -","- C180 H140 Ir12 O28 W4 -","4","1","CF6329","Anthony C. Willis; Gulliver T. Dalton; Mark G. Humphrey","Heptacarbonylbis(μ~3~-η^2^-diphenylacetylene)(η^5^-pentamethylcyclopentadienyl)triiridiumtungsten","Acta Crystallographica Section E","2004","60","4","m458","m459","10.1107/S1600536804006439","","","0.71073","MoKα","","","0.022","","","","0.0246","","","","","","1.078","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203388","20.0879","0.0013","11.1018","0.0007","23.756","0.0015","90","","107.055","0.001","90","","5064.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H56 Cl12 Hg2 Ru4 -","- C40 H56 Cl12 Hg2 Ru4 -","- C160 H224 Cl48 Hg8 Ru16 -","4","0.5","CF6331","Lihua Liu; Qian-Feng Zhang; Wa-Hung Leung","Bis{tri-μ-chloro-bis[(η^6^-<i>p</i>-cymene)ruthenium(II)]} di-μ-chloro-bis[dichloromercurate(II)]","Acta Crystallographica Section E","2004","60","4","m506","m508","10.1107/S1600536804007214","","","0.71073","MoKα","","0.0386","0.0332","","","0.0807","0.0836","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203389","8.1768","0.0016","11.858","0.002","14.007","0.003","67.534","0.003","82.032","0.003","89.421","0.004","1241.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 B Cl3 F4 Rh2 -","- C20 H30 B Cl3 F4 Rh2 -","- C40 H60 B2 Cl6 F8 Rh4 -","2","1","CF6332","Lihua Liu; Qian-Feng Zhang; Wa-Hung Leung","Tri-μ-chloro-bis[(η^5^-pentamethylcyclopentadienyl)rhodium(III)] tetrafluoroborate","Acta Crystallographica Section E","2004","60","4","m509","m510","10.1107/S1600536804007226","","","0.71073","MoKα","","0.0732","0.0422","","","0.0752","0.084","","","","","","0.961","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203390","9.8702","0.0005","10.0063","0.0005","12.6434","0.0006","101.436","0.001","103.466","0.001","95.981","0.001","1175.37","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H4 F6 N2 O4 S -","- C8 H4 F6 N2 O4 S -","- C32 H16 F24 N8 O16 S4 -","4","2","CF6333","Xianghong Huang; Qian-Feng Zhang; Herman H. Y. Sung","2-(2,2,2-Trifluoroacetylamino)pyridin-3-yl trifluoromethanesulfonate","Acta Crystallographica Section E","2004","60","4","o708","o710","10.1107/S1600536804007317","","","0.71073","MoKα","","0.0371","0.032","","","0.0782","0.081","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203391","6.5683","0.0003","11.5851","0.0004","15.1189","0.0005","103.011","0.001","97.442","0.001","96.551","0.001","1099.2","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Indolyl(triphenylphosphine)gold(I)","","- C25 H20 Au N2 P -","- C25 H20 Au N2 P -","- C50 H40 Au2 N4 P2 -","2","1","CF6334","Li, Dan; Tao, Wu; Ng, Seik Weng","Benzimidaxolyl(triphenylphosphine)gold(I)","Acta Crystallographica Section E","2004","60","4","m399","m400","10.1107/S1600536804005471","","","0.71073","MoKα","","0.044","0.04","","","0.105","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203392","17.698","0.007","4.475","0.002","12.084","0.005","90","","101.353","0.006","90","","938.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-methylenedioxybenzaldehyde semicarbazone","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","CF6335","Wang, Jin-Ling; Jia, Yong-Jin; Yu, Ming","The Schiff base 3,4-methylenedioxybenzaldehyde semicarbazone","Acta Crystallographica Section E","2004","60","4","o662","o663","10.1107/S1600536804006634","","","0.71073","MoKα","","0.0732","0.0406","","","0.0879","0.1009","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203393","9.1773","0.0006","12.8141","0.0008","16.377","0.001","96.216","0.001","105.78","0.001","99.425","0.001","1804.5","0.2","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","Aquabis(tetrahydrofuran)hexakis(trifluoroacetato)oxocopper(II)diiron(III)","","- C20 H18 Cu F18 Fe2 O16 -","- C20 H18 Cu0.999 F18 Fe2.001 O16 -","- C40 H36 Cu1.998 F36 Fe4.002 O32 -","2","1","CF6337","Amini, Mostafa M.; Yadavi, Marzieh; Ng, Seik Weng","Aquabis(tetrahydrofuran)hexakis(trifluoroacetato)(μ~3~-oxo)copper(II)diiron(III)","Acta Crystallographica Section E","2004","60","4","m492","m494","10.1107/S1600536804006762","","","0.71073","MoKα","","0.0537","0.0386","","","0.0989","0.1093","","","","","","1.004","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2203394","9.22","0.0006","12.8671","0.0009","16.448","0.001","96.233","0.001","105.756","0.001","99.401","0.001","1828.6","0.2","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","Aquabis(tetrahydrofuran)hexakis(trifluoroacetato)oxozinc(II)diiron(III)","","- C20 H18 F18 Fe2 O16 Zn -","- C20 H18 F18 Fe2.001 O16 Zn0.999 -","- C40 H36 F36 Fe4.002 O32 Zn1.998 -","2","1","CF6338","Amini, Mostafa M.; Yadavi, Marzieh; Ng, Seik Weng","Aquabis(tetrahydrofuran)hexakis(trifluoroacetato)(μ~3~-oxo)zinc(II)diiron(III)","Acta Crystallographica Section E","2004","60","4","m495","m497","10.1107/S1600536804006774","","","0.71073","MoKα","","0.057","0.042","","","0.108","0.119","","","","","","1.031","","","","has coordinates,has disorder","203561","2020-10-21","18:00:00",""
"2203395","34.243","0.002","5.3251","0.0004","18.1469","0.0012","90","","114.83","0.002","90","","3003.1","0.4","105","2","105","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H25.83 N2 O3.91 -","- C12 H25.826 N2 O3.913 -","- C96 H206.608 N16 O31.304 -","8","2","CF6339","Görbitz, Carl Henrik","Nanotubes of <small>L</small>-isoleucyl-<small>L</small>-leucine 0.91-hydrate","Acta Crystallographica Section E","2004","60","4","o626","o628","10.1107/S1600536804006427","","","0.71073","MoKα","","0.0476","0.0383","","","0.0897","0.095","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203396","7.295","0.002","13.117","0.003","8.793","0.002","90","","92.228","0.005","90","","840.8","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","vinamidinium salt derivative","1-Dimethylamino-3-dimethyliminio-2-(p-methoxyphenyl)prop-1-ene perchlorate","","- C14 H21 Cl N2 O5 -","- C14 H21 Cl N2 O5 -","- C28 H42 Cl2 N4 O10 -","2","1","CI6331","Girija, C. R.; Noor Shahina Begum","1-Dimethylamino-3-dimethyliminio-2-(<i>p</i>-methoxyphenyl)prop-1-ene perchlorate","Acta Crystallographica Section E","2004","60","4","o535","o536","10.1107/S1600536804004593","","","0.71073","MoKa","","0.0522","0.0431","","","0.1073","0.1126","","","","","","1.075","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203397","11.3858","0.0018","7.7718","0.0014","18.194","0.003","90","","104.374","0.012","90","","1559.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-arylated vinamidinium salt.","1-Dimethylamino-3-dimethylimino-1-phenylprop-1-ene perchlorate","","- C13 H19 Cl N2 O4 -","- C13 H19 Cl N2 O4 -","- C52 H76 Cl4 N8 O16 -","4","1","CI6342","Girija, C. R.; Noor Shahina Begum; Sridhar, M. A.; Lokanath, N. K.; Prasad, J. S.","1-Dimethylamino-3-dimethylimino-1-phenylprop-1-ene perchlorate","Acta Crystallographica Section E","2004","60","4","o586","o588","10.1107/S1600536804005173","","","0.71069","MoKα","","0.0851","0.057","","","0.1803","0.2039","","","","","","1.045","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203398","11.601","0.003","12.409","0.002","12.664","0.004","90","","115.501","0.018","90","","1645.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-Dimethylamino-3-dimethyliminio-1-(p-methylphenyl)prop-1-ene perchlorate","","- C14 H21 Cl N2 O4 -","- C14 H21 Cl N2 O4 -","- C56 H84 Cl4 N8 O16 -","4","1","CI6343","Girija, C. R.; Noor Shahina Begum; Sridhar, M. A.; Lokanath, N. K.; Prasad, J. S.","1-Dimethylamino-3-dimethyliminio-1-(<i>p</i>-methylphenyl)prop-1-ene perchlorate","Acta Crystallographica Section E","2004","60","4","o589","o591","10.1107/S1600536804005574","","","0.71069","MoKa","","0.1243","0.0751","","","0.2207","0.2718","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203399","8.239","0.003","12.399","0.002","16.152","0.003","90","","93.1","0.02","90","","1647.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Dimethylamino-3-dimethyliminio-1-(p-methoxyphenyl)prop-1-ene perchlorate","","- C14 H21 Cl N2 O5 -","- C14 H21 Cl N2 O5 -","- C56 H84 Cl4 N8 O20 -","4","1","CI6344","Girija, C. R.; Noor Shahina Begum; Sridhar, M. A.; Lokanath, N. K.; Prasad, J. S.","1-Dimethylamino-3-dimethyliminio-1-(<i>p</i>-methoxyphenyl)prop-1-ene perchlorate","Acta Crystallographica Section E","2004","60","4","o592","o594","10.1107/S1600536804005586","","","0.71069","MoKa","","0.0607","0.0497","","","0.1391","0.1481","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203400","22.56","0.008","5.4253","0.0019","15.057","0.005","90","","109.886","0.006","90","","1733","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","N-Amino-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)thiocarbamide","","- C12 H19 N3 O7 S -","- C12 H19 N3 O7 S -","- C48 H76 N12 O28 S4 -","4","1","CI6345","Bo Yang; Shu-Sheng Zhang; Yang-Fang Wang; Xue-Mei Li; Kui Jiao","<i>N</i>-Amino-<i>N</i>-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)thiocarbamide","Acta Crystallographica Section E","2004","60","4","o568","o570","10.1107/S1600536804005641","","","0.71073","MoKα","","0.0804","0.052","","","0.1056","0.1334","","","","","","1.119","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203401","18.777","0.0008","23.3593","0.0013","30.4231","0.0016","90","","90","","90","","13344.1","1.2","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","Poly[[dicopper(I)-tri-μ-4,4'-bipyridyl] diperchlorate dihydrate]","","- C30 H28 Cl2 Cu2 N6 O10 -","- C30 H28 Cl2 Cu2 N6 O10 -","- C480 H448 Cl32 Cu32 N96 O160 -","16","0.5","CI6346","Jian Zhang; Yao Kang; Yi-Hang Wen; Zhao-Ji Li; Ye-Yan Qin; Jian-Kai Cheng; Yuan-Gen Yao","Poly[[dicopper(I)-tri-μ-4,4'-bipyridyl] diperchlorate dihydrate]","Acta Crystallographica Section E","2004","60","4","m504","m505","10.1107/S160053680400546X","","","0.71073","MoKα","","","0.0533","","","0.1396","0.1689","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203402","10.7688","0.0006","10.8408","0.0006","13.3473","0.0007","89.032","0.001","66.477","0.001","88.276","0.001","1428.04","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloro-bis(1,10-phenanthroline)manganese(II) salicylaldoxime","","- C31 H23 Cl2 Mn N5 O2 -","- C31 H23 Cl2 Mn N5 O2 -","- C62 H46 Cl4 Mn2 N10 O4 -","2","1","CI6347","E Yang; Jian Zhang; Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Zhaoji Li; Jian-Kai Cheng; Rui-Feng Hu; Yi-Hang Wen; Yuan-Gen Yao","Dichlorobis(1,10-phenanthroline)manganese(II)‒salicylaldoxime (1/1)","Acta Crystallographica Section E","2004","60","4","m390","m391","10.1107/S1600536804005185","","","0.71073","MoKα","","","0.0473","","","0.105","0.1169","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203403","20.2331","0.0014","17.2635","0.001","18.3682","0.0011","90","","100.117","0.005","90","","6316.1","0.7","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hydridotetrakis(triphenylphosphite)cobalt(I)","","- C72 H61 Co O12 P4 -","- C72 H61 Co O12 P4 -","- C288 H244 Co4 O48 P16 -","4","1","CI6351","Jonathan D Crane; Nigel Young","Hydridotetrakis(triphenylphosphito)cobalt(I)","Acta Crystallographica Section E","2004","60","4","m487","m488","10.1107/S1600536804007093","","","0.71073","MoKα","","0.0598","0.0361","","","0.0648","0.0688","","","","","","0.801","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203404","9.181","0.005","17.803","0.005","9.231","0.005","90","","108.882","0.005","90","","1427.6","1.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Benzyl-4-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione","","- C15 H12 Cl N3 S -","- C15 H12 Cl N3 S -","- C60 H48 Cl4 N12 S4 -","4","1","CI6352","Sema Öztürk; Mehmet Akkurt; Ahmet Cansız; Metin Koparır; Mehmet Şekerci; Frank W. Heinemann","3-Benzyl-4-(4-chlorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","4","o642","o644","10.1107/S1600536804006828","","","0.71069","MoKα","","0.0765","0.0399","","","0.0654","0.0731","","","","","","1.013","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203405","27.219","0.007","8.081","0.002","20.601","0.005","90","","131.01","0.01","90","","3419.3","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[1-(3-bromobenzyl)-3-aminopyridinium] bis(maleonitriledithiolato)nickel(II)","","- C32 H24 Br2 N8 Ni S4 -","- C32 H24 Br2 N8 Ni S4 -","- C128 H96 Br8 N32 Ni4 S16 -","4","0.5","CV6272","Tian, Zheng-Fang; Li, Yi-Zhi; Meng, Qing-Jin; Dang, Dong-Bin","Bis[3-amino-1-(3-bromobenzyl)pyridinium] bis(maleonitriledithiolato)nickel(II)","Acta Crystallographica Section E","2004","60","4","m392","m393","10.1107/S1600536804005343","","","0.71073","MoKα","","0.0672","0.0507","","","0.1243","0.1309","","","","","","0.957","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203406","8.8485","0.0011","8.9259","0.0007","12.9652","0.0015","70.074","0.009","81.597","0.01","75.041","0.008","928.16","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Acetyl-5-(2-methoxyphenyl)-3-(2-methoxystyryl)-2-pyrazoline","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C42 H44 N4 O6 -","2","1","CV6274","R.V.Krishnakumar; V.Vijayabaskar; S.Perumal; S.Selvaraj; S.Natarajan","1-Acetyl-5-(2-methoxyphenyl)-3-(2-methoxystyryl)-2-pyrazoline","Acta Crystallographica Section E","2004","60","4","o476","o478","10.1107/S1600536804004209","","","1.5418","CuKα","","0.0519","0.0457","","","0.1312","0.1388","","","","","","1.083","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203407","11.6618","0.0009","8.8584","0.0007","19.163","0.002","90","","90","","90","","1979.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","anti-1-(Benzylamino)glyoxime","","- C9 H11 N3 O2 -","- C9 H11 N3 O2 -","- C72 H88 N24 O16 -","8","1","CV6275","Yavuz Köysal; Şamil Işık; Nursabah Sarıkavaklı; Fatih Erduran","<i>anti</i>-1-(Benzylamino)glyoxime","Acta Crystallographica Section E","2004","60","4","o515","o516","10.1107/S1600536804004799","","","0.71073","MoKα","","0.0733","0.0341","","","0.0776","0.0853","","","","","","0.799","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203408","8.6333","0.0009","27.515","0.003","7.9705","0.0009","90","","99.781","0.002","90","","1865.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3-benzoyl-7-(N,N-dimethylamino)indolizine-1,2-dicarboxylate","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","CV6276","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sarkunam, K.; Nallu, M.","Dimethyl 3-benzoyl-7-(<i>N,N</i>-dimethylamino)indolizine-1,2-dicarboxylate","Acta Crystallographica Section E","2004","60","4","o479","o480","10.1107/S1600536804004210","","","0.71073","MoKα","","0.059","0.0453","","","0.1234","0.1336","","","","","","1.029","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203409","8.05","0.005","16.942","0.011","17.094","0.011","118.555","0.01","95.033","0.012","97.082","0.011","2003","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 7-(N,N-dimethylamino)3-(4-methylbenzoyl)indolizine-1,2-dicarboxylate","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C88 H88 N8 O20 -","4","2","CV6277","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sarkunam, K.; Nallu, M.","Dimethyl 7-(<i>N</i>,<i>N</i>-dimethylamino)-3-(4-methylbenzoyl)indolizine-1,2-dicarboxylate","Acta Crystallographica Section E","2004","60","4","o537","o538","10.1107/S1600536804004805","","","0.71073","MoKα","","0.0914","0.0572","","","0.1367","0.1558","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203410","11.251","0.002","6.0066","0.0012","15.148","0.003","90","","100.69","0.03","90","","1005.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5(4H)-thione","","- C9 H10 N4 O S -","- C9 H10 N4 O S -","- C36 H40 N16 O4 S4 -","4","1","CV6278","Zhang, Shu-Sheng; Meng, Xiang-Tao; Li, Xue-Mei; Wang, Wei","4-Amino-3-(phenoxymethyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","4","o595","o596","10.1107/S1600536804006075","","","0.71073","MoKα","","0.0433","0.0367","","","0.0948","0.102","","","","","","1.085","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203411","10.041","0.005","9.389","0.005","11.45","0.006","90","","90","","90","","1079.4","1","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-Benzoyl-N'-ethylthiourea","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","CV6279","Yamin, Bohari M.; Kassim, Mohammad; Yusof, M. Sukeri M.; Shah, Nabihah M.","<i>N</i>-Benzoyl-<i>N</i>'-ethylthiourea","Acta Crystallographica Section E","2004","60","4","o556","o557","10.1107/S1600536804005355","","","0.71073","MoKα","","0.077","0.064","","","0.15","0.159","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203412","9.552","0.003","8.028","0.002","22.715","0.007","90","","90","","90","","1741.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-p-chlorophenyl acrylamide","N-(4-chlorophenyl)-acrylamide","","- C9 H8 Cl N O -","- C9 H8 Cl N O -","- C72 H64 Cl8 N8 O8 -","8","1","CV6280","Huo, Fang-Jun; Wu, Wei-Wei; Yin, Cai-Xia; Guo, Wei; Xia, Chi-Zhong; Yang, Pin","<i>N</i>-(4-Chlorophenyl)acrylamide","Acta Crystallographica Section E","2004","60","4","o629","o630","10.1107/S1600536804006233","","","0.71073","MoKα","","0.0561","0.0467","","","0.1183","0.1259","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203413","5.7601","0.0011","8.962","0.0019","22.983","0.004","90","","90","","90","","1186.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-benzyl-2-methyl-3-thiofuramide","N-benzyl-2-methyl-3-furanthiocarboxanilide","","- C13 H13 N O S -","- C13 H13 N O S -","- C52 H52 N4 O4 S4 -","4","1","CV6281","Pavlović, Gordana; Tralić-Kulenović, Vesna; Popović, Zora","<i>N</i>-Benzyl-2-methylfuran-3-thiocarboxanilide","Acta Crystallographica Section E","2004","60","4","o637","o639","10.1107/S1600536804006324","","","0.71073","MoKα","","0.0508","0.0479","","","0.1116","0.1139","","","","","","1.099","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2203414","8.527","0.003","16.174","0.005","8.753","0.003","90","","100.878","0.006","90","","1185.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl N3 O4 -","- C10 H10 Cl N3 O4 -","- C40 H40 Cl4 N12 O16 -","4","1","CV6283","Ya-Mei Guo; Zhi-Gang Geng; Xia Feng","2-(2-Pyridylamino)pyridinium perchlorate displaying a one-dimensional hydrogen-bonding supramolecular chain","Acta Crystallographica Section E","2004","60","4","o645","o646","10.1107/S1600536804006300","","","0.71073","MoKα","","0.1308","0.0695","","","0.1641","0.1995","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2203415","7.5238","0.0002","10.2817","0.0002","13.8084","0.0002","69.467","0.001","79.837","0.001","77.741","0.001","971.42","0.04","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","dimethyl 3-(4-bromobenzoyl)-7-(dimethylamino)indolizine-1,2-dicarboxylate","","- C21 H19 Br N2 O5 -","- C21 H19 Br N2 O5 -","- C42 H38 Br2 N4 O10 -","2","1","CV6286","Hema, R.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Linden, Anthony","Dimethyl 3-(4-bromobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)indolizine-1,2-dicarboxylate","Acta Crystallographica Section E","2004","60","4","o699","o700","10.1107/S1600536804006993","","","0.71073","MoKα","","0.0521","0.0383","","","0.0932","0.1005","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203416","5.0473","0.00001","25.1504","0.0005","41.4912","0.0009","90","","90","","90","","5266.96","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'S,2R,3S,4S)-Ethyl 2-hydroxy-4-methyl-3-(1'-phenylethylcarbamoyl)hexanoate","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C216 H324 N12 O48 -","12","3","CV6287","Larionov, Oleg I.; Meijere, Armin de; Yufit, Dmitry S.; Howard, Judith A. K.","(1'<i>S</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>)-Ethyl 2-hydroxy-4-methyl-3-(1'-phenylethylcarbamoyl)hexanoate","Acta Crystallographica Section E","2004","60","4","o681","o683","10.1107/S1600536804006737","","","0.71073","MoKα","","0.0566","0.0499","","","0.1229","0.1261","","","","","","1.152","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203417","8.6329","0.0012","8.0641","0.0011","22.621","0.003","90","","99.92","0.003","90","","1551.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxyacetophenone 3-hydroxy-2-naphthoylhydrazone","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","CV6290","Wan-Yi Liu; Yi-Zhi Li","2-Hydroxyacetophenone 3-hydroxy-2-naphthoylhydrazone","Acta Crystallographica Section E","2004","60","4","o694","o695","10.1107/S1600536804007123","","","0.71073","MoKα","","0.0751","0.0541","","","0.1279","0.1374","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203418","11.5067","0.0003","13.1916","0.0003","9.1773","0.0002","90","","95.621","0.0009","90","","1386.34","0.06","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(7-Acetoxy-4-methylcoumarin-8-yl)methyl]sydnone","","- C15 H12 N2 O6 -","- C15 H12 N2 O6 -","- C60 H48 N8 O24 -","4","1","CV6291","Thamotharan, S.; Parthasarathi, V.; Mallur, Shanta, G.; Kamble, Ravindra, R.; Badami, Bharati; Linden, Anthony","3-[(7-Acetoxy-4-methylcoumarin-8-yl)methyl]sydnone","Acta Crystallographica Section E","2004","60","4","o701","o702","10.1107/S1600536804007135","","","0.71073","MoKα","","0.1033","0.0524","","","0.1278","0.1507","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203419","9.077","0.004","21.777","0.005","10.19","0.01","90","","107.02","0.06","90","","1926","2","293.2","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 N O6 -","- C16 H31 N O6 -","- C64 H124 N4 O24 -","4","1","DN6121","Dagoneau Christelle; Jean-Noël Denis; Christian Philouze; Marie-Thérèse Averbuch-Pouchot; Yannick Vallée","(2S<i>R</i>,3S<i>R</i>,4<i>RS</i>)-<i>tert</i>-Butyl 2,3-dihydroxy 4-(<i>tert</i>-butoxycarbonyl)aminohexanoate","Acta Crystallographica Section E","2004","60","4","o510","o512","10.1107/S1600536804004520","","","0.7107","MoKα","","0.0464","0.0464","","0.0664","","0.0664","","","1.686","","","1.686","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203420","9.1356","0.0016","15.359","0.003","15.082","0.003","90","","92.652","0.004","90","","2113.9","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Rotenone‒acetic acid (2/1)","","- C48 H48 O14 -","- C48 H48 O14 -","- C96 H96 O28 -","2","1","DN6123","Yang, Shi-Ping; Chen, Hong-Mei; Znang, Fan; Chen, Qiong Qiong; Yu, Xi-Bin; Huang, Ji-Guang; Xu, Han-Hong","Rotenone‒acetic acid (2/1)","Acta Crystallographica Section E","2004","60","4","o532","o534","10.1107/S1600536804004817","","","0.71073","MoKα","","0.0993","0.06","","","0.1289","0.1462","","","","","","0.953","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203421","13.1635","0.0011","12.1355","0.0007","18.0309","0.0016","90","","106.665","0.007","90","","2759.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(1,1,5,5-tetramethyl-2-thiobiuretato)cobalt(III)","","- C18 H36 Co N9 O3 S3 -","- C18 H36 Co N9 O3 S3 -","- C72 H144 Co4 N36 O12 S12 -","4","1","DN6127","Jonathan D Crane; Matthew Whittingham","Tris(1,1,5,5-tetramethyl-2-thiobiuretato)cobalt(III)","Acta Crystallographica Section E","2004","60","4","m350","m351","10.1107/S1600536804004696","","","0.71073","MoKα","","0.0643","0.0328","","","0.0652","0.0696","","","","","","0.803","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203422","8.5418","0.0006","11.1878","0.0008","11.6189","0.0007","66.625","0.006","69.332","0.006","73.642","0.006","940.57","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chloro-bis{[N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1- hydroxyethanamine]copper(II)} dichloride dihydrate","","- C28 H50 Cl4 Cu2 N10 O4 -","- C28 H50 Cl4 Cu2 N10 O4 -","- C28 H50 Cl4 Cu2 N10 O4 -","1","0.5","DN6128","El Kodadi, Mohamed; Fouad, Malek; Ramdani, Abdelkrim; Eddike, Driss; Tillard, Monique; Belin, Claude","Di-μ-chloro-bis{[<i>N</i>,<i>N</i>-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxyethanamine]copper(II)} dichloride dihydrate","Acta Crystallographica Section E","2004","60","4","m426","m428","10.1107/S1600536804005434","","","0.71073","MoKα","","0.0429","0.0377","","","0.104","0.1089","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203423","9.9819","0.0002","22.3639","0.0004","8.415","0.0001","90","","90","","90","","1878.52","0.06","296","1","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","DN6129","Weiming Xu; Xiu-Rong Hu; Jian-Ming Gu; Xian Huang","5-{2-[3-(4-Methoxyphenyl)-4,5-dihydroisoxazol-5-yl]vinyl}-3-<i>p</i>-tolylisoxazole","Acta Crystallographica Section E","2004","60","4","o676","o677","10.1107/S1600536804006269","","","0.7107","MoKα","","","0.048","","","","0.113","","","","","","1.006","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203424","8.8285","0.0017","20.225","0.003","14.638","0.003","90","","91.353","0.015","90","","2613","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorotetrakis(tetrahydrofuran)aluminium trichloroethylaluminate","","- C18 H37 Al2 Cl5 O4 -","- C18 H37 Al2 Cl5 O4 -","- C72 H148 Al8 Cl20 O16 -","4","1","DN6130","Sluka, Radek; Nečas, Marek; Šindelář, Pavel","Dichlorotetrakis(tetrahydrofuran)aluminium trichloroethylaluminate","Acta Crystallographica Section E","2004","60","4","m447","m448","10.1107/S1600536804006312","","","0.71073","MoKα","","0.0421","0.0358","","","0.0918","0.0956","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203425","13.502","0.0016","8.4577","0.001","10.1886","0.0012","90","","104.949","0.002","90","","1124.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Tricarbonyliodo(η^5^-methylcyclopentadienyl)tungsten","","- C9 H7 I O3 W -","- C9 H7 I O3 W -","- C36 H28 I4 O12 W4 -","4","0.5","DN6132","Billing, David G.; Coville, Neil J.; Lesia, Joyce; Muhammad D. Bala","Tricarbonyliodo(η^5^-methylcyclopentadienyl)tungsten","Acta Crystallographica Section E","2004","60","4","m477","m478","10.1107/S160053680400635X","","","0.71073","MoKα","","0.0233","0.02","","","0.0463","0.0474","","","","","","1.063","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203426","9.8292","0.0007","16.631","0.001","11.5822","0.0008","90","","109.52","0.01","90","","1784.5","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Cyclopentyl{2-[(2,6-diisopropylphenyl)amino]-4-[(2,6- diisopropylphenyl)imino]pent-2-enato-κ^2^N,N'}(tetrahydrofuran- κO)magnesium(II)","","- C38 H58 Mg N2 O -","- C38 H58 Mg N2 O -","- C76 H116 Mg2 N4 O2 -","2","1","FL6073","Katherine H. D. Ballem; Kevin M. Smith; Brian O. Patrick","Cyclopentyl{2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-enato-κ^2^<i>N</i>,<i>N</i>'}(tetrahydrofuran-κ<i>O</i>)magnesium(II)","Acta Crystallographica Section E","2004","60","4","m408","m409","10.1107/S1600536804005148","","","0.71073","MoKα","","0.0674","0.0508","","","0.1159","0.1218","","","","","","0.968","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203427","11.427","0.001","12.947","0.001","20.752","0.002","90","","90","","90","","3070.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[1,2-bis(diphenylphosphino)ethane](2,3-quionoxalinedithiolato)nickel","","- C34 H28 N2 Ni P2 S2 -","- C34 H28 N2 Ni P2 S2 -","- C136 H112 N8 Ni4 P8 S8 -","4","1","FL6084","Ni, Chun-Lin; Li, Yi-Zhi; Ni, Zhao-Ping; Dang, Dong-Bin; Meng, Qin-jing","[1,2-Bis(diphenylphosphino)ethane](2,3-quinoxalinedithiolato)nickel(II)","Acta Crystallographica Section E","2004","60","4","m410","m412","10.1107/S1600536804005999","","","0.71073","MoKα","","0.0615","0.0553","","","0.1526","0.1564","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203428","11.9318","0.0018","14.152","0.002","9.0323","0.0014","90","","90","","90","","1525.2","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,3-Bis(2'-carboxyphenylamine)propane","2,2'-(Propane-1,3-diimino)dibenzoic acid","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","0.5","FL6087","Rabile, M. Mohamed; Huang, Huan; Ghosh, Dipesh; Van Horn, J. David; Powell, Doug R.","2,2'-(Propane-1,3-diimino)dibenzoic acid","Acta Crystallographica Section E","2004","60","4","o494","o496","10.1107/S1600536804004398","","","0.71073","MoKα","","0.0443","0.0416","","","0.1151","0.1179","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203429","8.426","0.002","12.011","0.003","15.671","0.003","90","","90","","90","","1586","0.6","100","2","100","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","dipotassium rhodizonate","","- C6 K2 O6 -","- C6 K2 O6 -","- C48 K16 O48 -","8","0.25","FL6088","Cowan, John A.; Howard, J.A.K.","Dipotassium rhodizonate","Acta Crystallographica Section E","2004","60","4","m511","m513","10.1107/S160053680400529X","","","0.71073","MoKα","","0.0459","0.038","","","0.0891","0.0928","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203430","17.081","0.003","11.298","0.002","24.554","0.004","90","","108.625","0.002","90","","4490.3","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Chlorobis(1,10-phenanthroline)copper(II) perchlorate hemihydrate","Chlorobis(1,10-phenanthroline)copper(II) perchlorate hemihydrate","","- C24 H17 Cl2 Cu N4 O4.5 -","- C24 H17 Cl2 Cu N4 O4.5 -","- C192 H136 Cl16 Cu8 N32 O36 -","8","2","FL6089","Wei, Yibin; Yang, Pin","Chlorobis(1,10-phenanthroline)copper(II) perchlorate hemihydrate","Acta Crystallographica Section E","2004","60","4","m429","m431","10.1107/S1600536804005306","","","0.71073","MoKα","","0.1584","0.0942","","","0.1828","0.2104","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203431","8.699","0.002","12.983","0.002","16.712","0.002","90","","90","","90","","1887.4","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-phenyl-2-furamide","N-phenylfuran-2-carboxamide","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C88 H72 N8 O16 -","8","1","FL6090","Pavlović, Gordana; Tralić-Kulenović, Vesna; Popović, Zora","2-Furancarboxanilide","Acta Crystallographica Section E","2004","60","4","o631","o633","10.1107/S1600536804006245","","","0.71073","MoKα","","0.058","0.0504","","","0.1232","0.1295","","","","","","1.189","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2203432","6.1389","0.0002","7.2316","0.0002","33.9218","0.0014","90","","90","","90","","1505.93","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5-methoxycarbonyl)pentyl α-D-mannopyranoside","","- C13 H24 O8 -","- C13 H24 O8 -","- C52 H96 O32 -","4","1","FL6092","Gainsford, Graeme J.; Luboradzki, Roman; Pakulski, Zbigniew","(5-Methoxycarbonyl)pentyl α-<small>D</small>-mannopyranoside","Acta Crystallographica Section E","2004","60","4","o666","o668","10.1107/S1600536804005987","","","0.71073","MoKα","","0.0577","0.0441","","","0.0803","0.0837","","","","","","1.123","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203433","6.876","0.0008","7.8033","0.0012","16.657","0.003","95.45","0.013","95.962","0.008","103.989","0.009","855.8","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","(1H-Benzotriazole-κN^3^)trichlorocobalt(III)‒1H-benzotriazole‒water (1/1/1)","","- C12 H12 Cl3 Co N6 O -","- C12 H12 Cl3 Co N6 O -","- C24 H24 Cl6 Co2 N12 O2 -","2","2","HB6013","Zhang, Ze-Feng; Li, Li-Xin; Wang, Xiao-Qing; Xie, Cheng-Zhi; Wang, Ru-Ji; Shen, Guang-Qiu","(1<i>H</i>-Benzotriazole-κ<i>N</i>^3^)trichlorocobalt(III)‒1<i>H</i>-benzotriazole‒water (1/1/1)","Acta Crystallographica Section E","2004","60","4","m498","m500","10.1107/S1600536804004982","","","0.71073","MoKα","","0.0325","0.0293","","","0.0619","0.0645","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203434","6.1505","0.0006","7.6367","0.0008","9.7197","0.001","95.0132","0.0015","99.9045","0.0015","110.281","0.0014","416.47","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis(3-amino-1,2,4-triazolium-κN^1^)dichlorocopper(II) tetrachlorocuprate(II) dihydrate","","- C4 H14 Cl6 Cu2 N8 O2 -","- C4 H14 Cl6 Cu2 N8 O2 -","- C4 H14 Cl6 Cu2 N8 O2 -","1","0.5","HB6014","Carlos Sánchez; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez","trans-Bis(3-amino-1,2,4-triazolium-κN^1^)dichlorocopper(II) tetrachlorocuprate(II) dihydrate","Acta Crystallographica, Section E","2004","60","4","m370","m372","10.1107/S1600536804003812","","","0.71073","MoKα","","0.0184","0.0177","","","0.0457","0.0461","","","","","","1.083","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2203435","9.58","0.003","15.176","0.005","17.589","0.006","90","","105.021","0.004","90","","2469.8","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-Bis(dicyanamido)bis(1,10-phenanthroline)nickel(II)","","- C28 H16 N10 Ni -","- C28 H16 N10 Ni -","- C112 H64 N40 Ni4 -","4","1","HB6020","A.-Qing Wu; Fa-Kun Zheng; Guo-Cong Guo; Jin-Shun Huang","<i>cis</i>-Bis(dicyanamido)bis(1,10-phenanthroline)nickel(II)","Acta Crystallographica Section E","2004","60","4","m373","m375","10.1107/S1600536804004921","","","0.71073","MoKα","","0.1182","0.0689","","","0.1367","0.1575","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203436","9.655","0.001","10.859","0.001","11.384","0.001","88.695","0.002","79.453","0.002","88.84","0.002","1172.91","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis{5-methyl-4-[(Z)-(1-naphthylamino)phenylmethylene]-2-phenyl-3H-pyrazol- 3-one-κ^2^N,N'}silver(I) hexafluorophosphate","","- C54 H42 Ag F6 N6 O2 P -","- C54 H42 Ag F6 N6 O2 P -","- C54 H42 Ag F6 N6 O2 P -","1","0.5","HB6021","Lü, Xingqiang; Bao, Feng; Wu, Qing; Kang, Beisheng; Ng, Seik Weng","Bis{5-methyl-4-[(<i>Z</i>)-(1-naphthylamino)phenylmethylene]-2-phenyl-3<i>H</i>-pyrazol-3-one-κ^2^<i>N</i>,<i>N</i>'}silver(I) hexafluorophosphate","Acta Crystallographica Section E","2004","60","4","m362","m363","10.1107/S1600536804004660","","","0.71073","MoKα","","0.055","0.037","","","0.091","0.097","","","","","","0.91","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203437","13.1128","0.0008","6.9843","0.0004","15.3908","0.0009","90","","104.647","0.001","90","","1363.74","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bromatosilver(I)-μ-4,4'-bipyridine] 2.5-hydrate]","","- C10 H13 Ag Br N2 O5.5 -","- C10 H13 Ag Br N2 O5.5 -","- C40 H52 Ag4 Br4 N8 O22 -","4","1","HB6022","Chun-Xia Ren; Cheng, Li; Xiao-Ming Chen; Seik Weng Ng","<i>catena</i>-Poly[[bromatosilver(I)-μ-4,4'-bipyridine] 2.5-hydrate]","Acta Crystallographica Section E","2004","60","4","m364","m366","10.1107/S1600536804005082","","","0.71073","MoKα","","0.036","0.03","","","0.081","0.084","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2203438","9.3847","0.0007","9.4884","0.0006","9.6936","0.0005","62.15","0.004","81.987","0.004","87.868","0.003","755.36","0.09","167","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Cu N2 O11 -","- C10 H20 Cu N2 O11 -","- C20 H40 Cu2 N4 O22 -","2","1","HB6023","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","1,4-Diazoniabicyclo[2.2.2]octane aquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","Acta Crystallographica Section E","2004","60","4","m378","m380","10.1107/S1600536804005033","","","0.71073","MoKα","","","0.04","","","","0.1033","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203439","8.7948","0.0002","12.9638","0.0004","13.9288","0.0004","88.187","0.002","89.525","0.002","75.21","0.002","1534.69","0.07","120","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H58 Co N5 O7 -","- C22 H58 Co N5 O7 -","- C44 H116 Co2 N10 O14 -","2","1","HB6024","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Tetra-<i>n</i>-butylamine(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) <i>n</i>-butylcarbamate dihydrate","Acta Crystallographica Section E","2004","60","4","m381","m383","10.1107/S1600536804005070","","","0.71073","MoKα","","","0.0414","","","","0.1076","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203440","8.648","0.004","8.994","0.009","7.294","0.003","97.98","0.05","107","0.03","64.4","0.05","489.2","0.6","297.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 Cu N2 O2 -","- C20 H22 Cl2 Cu N2 O2 -","- C20 H22 Cl2 Cu N2 O2 -","1","0.5","HB6025","Akitsu, Takashiro; Einaga, Yasuaki","Bis(5-chloro-<i>N</i>-isopropylsalicyldenaminato-κ^2^<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section E","2004","60","4","m436","m438","10.1107/S1600536804005938","","","0.7107","MoKα","","","0.0258","","","","0.1105","","","","","","0.974","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203441","7.2079","0.0009","7.3251","0.001","10.4032","0.0014","88.76","0.011","77.191","0.01","62.442","0.009","472.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Tetraaquabis(p-nitrobenzoxasulfamato)cobalt(II)","","- C12 H14 Co N4 O14 S2 -","- C12 H14 Co N4 O14 S2 -","- C12 H14 Co N4 O14 S2 -","1","0.5","HB6026","Kazak, Canan; Yazicilar, Turan K.; Yilmaz, Veysel T.","<i>trans</i>-Tetraaquabis(<i>p</i>-nitrobenzoxasulfamato)cobalt(II)","Acta Crystallographica Section E","2004","60","4","m452","m454","10.1107/S1600536804006336","","","0.71073","MoKα","","0.0382","0.0374","","","0.0995","0.1004","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203442","14.1356","0.0008","16.018","0.0009","16.4055","0.0009","90","","108.411","0.001","90","","3524.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-2-aminopyridinato-bis[(2,2'-bipyridine)platinum(II)] dinitrate tetrahydrate","","- C30 H30 N10 O8 Pt2 -","- C30 H26 N10 O8 Pt2 -","- C120 H104 N40 O32 Pt8 -","4","1","HB6028","Mizota, Mina; Sakai, Ken","Di-μ-2-aminopyridinato-bis[(2,2'-bipyridine)platinum(II)] dinitrate tetrahydrate as a head-to-tail isomer","Acta Crystallographica Section E","2004","60","4","m473","m476","10.1107/S1600536804006877","","","0.71073","MoKα","","0.0929","0.051","","","0.1243","0.1353","","","","","","0.9","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203443","9.504","0.001","11.359","0.001","17.548","0.001","104.69","0.01","97.85","0.01","106.77","0.01","1709","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","14,16-Bis(ethoxycarbonyl)2,11-bis(4-tolylsulfonyl)-2,11-diaza[3.3](1,3)- benzeno(2,6)pyridino[2]phane","","- C35 H37 N3 O8 S2 -","- C35 H37 N3 O8 S2 -","- C70 H74 N6 O16 S4 -","2","1","HG6022","Boomgaarden, Wolfgang; Nieger, Martin","Diaza[3.3]benzenopyridino[2]phane","Acta Crystallographica Section E","2004","60","4","o523","o524","10.1107/S1600536804004751","","","1.54178","CuKα","","0.0598","0.0471","","","0.1209","0.1296","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203444","9.969","0.003","5.9346","0.0016","20.823","0.006","90","","102.025","0.005","90","","1204.9","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","anhydrous sodium naproxen","Sodium (S)-(+)-6-methoxy-α-methyl-2-naphthaleneacetate","","- C14 H13 Na O3 -","- C14 H13 Na O3 -","- C56 H52 Na4 O12 -","4","2","HG6023","Kim, Young-soo; VanDerveer, Don; Rousseau, Ronald W.; Wilkinson, Angus P.","Anhydrous sodium naproxen","Acta Crystallographica Section E","2004","60","4","m419","m420","10.1107/S1600536804005318","","","0.71073","MoKα","","0.0613","0.0495","","","0.1249","0.1306","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203445","11.694","0.001","23.256","0.001","18.805","0.001","90","","100.565","0.001","90","","5027.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(μ3-Oxo)-bis(μ2-chloro)-dichloro-octaphenyl-tetra-tin, methylene chloride solvate","","- C49 H42 Cl6 O2 Sn4 -","- C49 H42 Cl6 O2 Sn4 -","- C196 H168 Cl24 O8 Sn16 -","4","1","HG6024","Estudiante-Negrete, Fabiola; Morales-Morales, David; Toscano, Rubén A.","Di-μ~2~-chloro-dichlorodi-μ~3~-oxo-octaphenyltetratin dichloromethane solvate","Acta Crystallographica Section E","2004","60","4","m482","m484","10.1107/S1600536804006658","","","0.71073","MoKα","","0.0531","0.033","","","0.0542","0.057","","","","","","0.976","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2203446","8.492","0.0015","12.241","0.002","16.961","0.003","90","","90","","90","","1763.1","0.5","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cu N4 O6 -","- C15 H26 Cu N4 O6 -","- C60 H104 Cu4 N16 O24 -","4","1","HG6025","Choi, Sung-Nak; Park, Shin-Ae; Kim, Wan Cheol; Kang, Sung Kwon","[(‒)-α-Isosparteine]dinitratocopper(II)","Acta Crystallographica Section E","2004","60","4","m416","m418","10.1107/S160053680400618X","","","0.71073","MoKα","","","0.0548","","","","0.1288","","","","","","0.967","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203447","19.0275","0.001","9.8262","0.0005","17.4862","0.001","90","","118.486","0.001","90","","2873.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","fluroen-9-ylidene-(4-methoxy-phenyl)-amine","N-9H-fluoren-9-ylidene-N-(4-methoxyphenyl)amine","","- C20 H15 N O -","- C20 H15 N O -","- C160 H120 N8 O8 -","8","1","HG6026","Glagovich, Neil; Reed, Elizabeth; Crundwell, Guy; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.","<i>N</i>-(9<i>H</i>-Fluoren-9-ylidene)-<i>N</i>-(4-methoxyphenyl)amine","Acta Crystallographica Section E","2004","60","4","o623","o625","10.1107/S1600536804005975","","","0.71073","MoKα","","0.0445","0.0423","","","0.1132","0.1152","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203448","12.3892","0.0005","13.1262","0.0005","14.6675","0.0006","83.685","0.002","89.773","0.002","75.016","0.002","2289.45","0.16","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H54 Cl O7 P2 Rh -","- C49 H54 Cl O7 P2 Rh -","- C98 H108 Cl2 O14 P4 Rh2 -","2","1","HG6027","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","<i>trans</i>-Carbonylchlorobis[tris(2,6-dimethylphenyl)phosphito]rhodium(I)","Acta Crystallographica Section E","2004","60","4","m455","m457","10.1107/S1600536804006270","","","0.71073","MoKα","","","0.0436","","","","0.0929","","","","","","0.909","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203449","8.117","0.004","9.977","0.007","10.737","0.006","113.47","0.04","90.49","0.04","93.98","0.05","795","0.9","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Br O4 -","- C17 H15 Br O4 -","- C34 H30 Br2 O8 -","2","1","HG6028","Mocerino, Mauro; Skelton, Brian W.; Stick, Robert V.; White, Allan H.","<i>trans</i>-5-(4-Bromobenzoyloxy)-2-phenyl-1,3-dioxane","Acta Crystallographica Section E","2004","60","4","o664","o665","10.1107/S160053680400666X","","","0.71073","MoKα","","0.118","0.054","","0.153","","0.099","","","1.174","","","1.174","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203450","9.632","0.004","11.612","0.004","12.777","0.005","66.97","0.03","85.63","0.03","79.87","0.03","1294.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquachlorobis(1,10-phenanthroline)cobalt(II) chloride dimethylformamide hemisolvate","","- C27 H25 Cl2 Co N5 O2 -","- C27 H25 Cl2 Co N5 O2 -","- C54 H50 Cl4 Co2 N10 O4 -","2","1","HG6031","Liu, Ji-Wei; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","Aquachlorobis(1,10-phenanthroline)cobalt(II) chloride dimethylformamide solvate","Acta Crystallographica Section E","2004","60","4","m501","m503","10.1107/S1600536804007263","","","0.71073","MoKα","","0.061","0.048","","","0.125","0.133","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203451","7.3664","0.001","8.2971","0.001","14.4141","0.0018","85.66","0.01","75.231","0.011","88.387","0.01","849.4","0.19","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 Zn -","- C16 H12 Br2 N4 Zn -","- C32 H24 Br4 N8 Zn2 -","2","1","LH6161","Ömer Çelik; Íde, Semra; Kurt, Mustafa; Yurdakul, Şenay","Dibromobis(phthalazine-κ<i>N</i>^2^)zinc(II)","Acta Crystallographica Section E","2004","60","4","m424","m425","10.1107/S1600536804004908","","","0.71073","MoKα","","","0.0537","","","","0.1618","","","","","","0.957","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203452","17.565","0.005","5.682","0.0017","7.804","0.002","90","","97.622","0.006","90","","772","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(benzyloxy)benzene","","- C20 H18 O2 -","- C20 H18 O2 -","- C40 H36 O4 -","2","0.5","LH6174","Donghong He; Shihai Xu; Zhaoxun Lian; Xiangchao Zeng; Shuhao Guo; Xiaojian Liao","1,4-Bis(benzyloxy)benzene","Acta Crystallographica Section E","2004","60","4","o711","o712","10.1107/S1600536804007068","","","0.71069","MoKα","","0.0722","0.0423","","","0.105","0.1376","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203453","25.38","0.002","7.976","0.001","22.95","0.002","90","","97.82","0.01","90","","4602.6","0.8","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H50 Cl2 N4 Ni2 O4 S2 -","- C49 H50 Cl2 N4 Ni2 O4 S2 -","- C196 H200 Cl8 N16 Ni8 O16 S8 -","4","0.5","LH6176","Berkessel, Albrecht; Bolte, Michael","<i>rac</i>-Bis[μ-<i>N</i>-salicylidene-<i>N</i>'-(α-phenylsulfanylmethyl-2-oxidobenzyl)propylenediamine-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>,<i>O</i>']nickel(II) dichloromethane solvate","Acta Crystallographica Section E","2004","60","4","m387","m389","10.1107/S1600536804004611","","","1.5418","CuKα","","0.1417","0.1268","","","0.3107","0.3327","","","","","","1.41","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203454","8.831","0.002","14.22","0.002","14.256","0.002","90","","103.1","0.01","90","","1743.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1-(3-cyanobenzyl)-3-methylpyrazinium] bis(1,2-dicyanoethene-1,2-dithiolato)nickel(II)","","- C34 H24 N10 Ni S4 -","- C34 H24 N10 Ni S4 -","- C68 H48 N20 Ni2 S8 -","2","0.5","LH6177","Tian, Zheng-Fang; Li, Yi-Zhi; Meng, Qing-Jin; Liu, San-Hui; Ji, Xing-Xiang","Bis[1-(3-cyanobenzyl)-3-methylpyrazinium] bis(1,2-dicyanoethene-1,2-dithiolato)nickel(II)","Acta Crystallographica Section E","2004","60","4","m396","m398","10.1107/S1600536804005616","","","0.71073","MoKα","","0.0589","0.0549","","","0.1326","0.1333","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203455","7.7487","0.0002","10.429","0.0003","11.2007","0.0003","71.8482","0.0013","76.9553","0.0017","75.3167","0.0017","821.34","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Fluoren-9-one 4-toluenesulfonylhydrazone","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C40 H32 N4 O4 S2 -","2","1","LH6178","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Fluoren-9-one 4-toluenesulfonylhydrazone: hydrogen-bonded <i>R</i>{_2^2}(8) dimers are linked into sheets by π‒π stacking interactions","Acta Crystallographica Section E","2004","60","4","o520","o522","10.1107/S1600536804004878","","","0.71073","MoKα","","0.0418","0.0355","","","0.0862","0.0897","","","","","","1.06","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203456","7.902","0.007","7.004","0.005","13.736","0.012","90","","102.38","0.08","90","","742.5","1.1","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C36 H34 N6 O2 -","2","1","LH6179","Oloo, Eliud O.; Nienaber, Kurt; Quail, J. Wilson; Padmanilayam, Maniyan P.; Das, Umashankar; Dimmock, Jonathan R.","<i>cis</i>-3-Phenyl-3,3a,4,5-tetrahydrobenzo[<i>g</i>]indazole-2-carboxamide","Acta Crystallographica Section E","2004","60","4","o610","o612","10.1107/S1600536804005963","","","0.71073","MoKα","","0.0418","0.0312","","","0.0769","0.0816","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203457","6.87","0.003","8.333","0.004","12.707","0.005","78.567","0.007","78.991","0.007","79.361","0.007","691.7","0.5","150","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","1","LH6180","Harry Adams; Isaac Ojea-Jimenez; Simon Jones","The Diels‒Alder adduct of <i>p</i>-benzoquinone and anthracene: 9,10-tetrahydro-9,10[1',2']benzenoanthracene-1',4'(2'<i>H</i>,3'<i>H</i>)-dione","Acta Crystallographica Section E","2004","60","4","o690","o691","10.1107/S160053680400707X","","","0.71073","MoKα","","","0.047","","","","0.1363","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203458","7.6362","0.0006","8.8697","0.0009","10.397","0.001","81.572","0.008","71.486","0.008","82.921","0.007","658.33","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 Li N O3 S -","- C5 H4 Li N O3 S -","- C20 H16 Li4 N4 O12 S4 -","4","2","LH6181","A. van der Lee; M. Barboiu","Lithium pyridine-3-sulfonate","Acta Crystallographica Section E","2004","60","4","m421","m423","10.1107/S1600536804006191","","","0.71073","MoKα","","0.0718","0.0461","","0.0675","0.061","0.0675","","","","","","1.2145","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2203459","13.935","0.001","7.0123","0.0005","18.4739","0.0018","90","","90","","90","","1805.2","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(1,1,5,5-tetramethyl-2-thiobiuretato)nickel(II)","","- C12 H24 N6 Ni O2 S2 -","- C12 H24 N6 Ni O2 S2 -","- C48 H96 N24 Ni4 O8 S8 -","4","0.5","LH6184","Jonathan D Crane; Matthew Whittingham","Bis(1,1,5,5-tetramethyl-2-thiobiuretato)nickel(II)","Acta Crystallographica Section E","2004","60","4","m449","m451","10.1107/S1600536804006294","","","0.71073","MoKα","","0.0536","0.0295","","","0.0556","0.0595","","","","","","0.874","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203460","26.179","0.009","5.8223","0.0017","7.169","0.003","90","","105.855","0.009","90","","1051.1","0.6","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-Bis(4-pyridyl)-1,3,4-thiadiazole","","- C12 H8 N4 S -","- C12 H8 N4 S -","- C48 H32 N16 S4 -","4","0.5","LH6185","Du, Miao; Zhao, Xiao-Jun; Li, Cheng-Peng","2,5-Bis(4-pyridyl)-1,3,4-thiadiazole","Acta Crystallographica Section E","2004","60","4","o706","o707","10.1107/S1600536804007202","","","0.71073","MoKα","","0.0625","0.0424","","","0.1202","0.1464","","","","","","1.193","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203461","12.486","0.002","13.196","0.0019","12.068","0.002","98.775","0.014","90.839","0.014","98.86","0.012","1940.2","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","icyclohexylaminium 4-nitroanthranilate","N-cyclohexylcyclohexanaminium 2-amino-4-nitrobenzoate","","- C19 H29 N3 O4 -","- C19 H29 N3 O4 -","- C76 H116 N12 O16 -","4","2","LH6187","Graham Smith; Urs D. Wermuth; Peter C. Healy","Dicyclohexylaminium 4-nitroanthranilate","Acta Crystallographica Section E","2004","60","4","o684","o686","10.1107/S1600536804006981","","","0.71069","MoKα","","0.0843","0.0422","","","0.1182","0.1505","","","","","","0.893","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203462","12.03","0.003","18.01","0.005","7.29","0.002","90","","90","","90","","1579.5","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","guanidinium 5-sulfosalicylate monohydrate","","","- C9 H18 N6 O7 S -","- C9 H18 N6 O7 S -","- C36 H72 N24 O28 S4 -","4","1","LH6188","Graham Smith; Urs D. Wermuth; Peter C. Healy","Bis(guanidinium) 5-sulfosalicylate monohydrate","Acta Crystallographica Section E","2004","60","4","o687","o689","10.1107/S1600536804007081","","","0.71069","MoKα","","0.0683","0.0461","","","0.1176","0.1395","","","","","","0.895","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203463","10.0738","0.0002","15.568","0.0003","20.3943","0.0003","90","","96.673","0.001","90","","3176.75","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H74 Cl2 O4 Sn4 -","- C70 H74 Cl2 O4 Sn4 -","- C140 H148 Cl4 O8 Sn8 -","2","0.5","LH6189","Mohamed, E. Mothi; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Octabenzyldichlorodi-μ~2~-hydroxo-di-μ~3~-oxo-tetratin toluene disolvate","Acta Crystallographica Section E","2004","60","4","m489","m491","10.1107/S160053680400697X","","","0.71073","MoKα","","0.0595","0.0385","","","0.0806","0.0876","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203464","15.219","0.002","4.7796","0.0004","21.567","0.003","90","","103.9","0.012","90","","1522.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-p-Chlorobenzl-4-(p-florobenzylidenamino)-4,5-dihydro-1H-1,2,4- triazol-5-one","","- C16 H12 Cl F N4 O -","- C16 H12 Cl F N4 O -","- C64 H48 Cl4 F4 N16 O4 -","4","1","NA6265","Karakurt, Tuncay; Dinçer, Muharrem; Kahveci, Bahittin; Usta, Asu; Ağar, Erbil; Şaşmaz, Selami","3-(<i>p</i>-Chlorobenzyl)-4-(<i>p</i>-fluorobenzylideneamino)-4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one","Acta Crystallographica Section E","2004","60","4","o654","o655","10.1107/S1600536804006580","","","0.71073","MoKα","","0.1767","0.0496","","","0.0598","0.0753","","","","","","0.839","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203465","21.8863","0.0016","5.1411","0.0004","15.5619","0.0012","90","","132.601","0.005","90","","1288.9","0.2","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","L-histidinium tetrafluorosuccinate","","- C10 H11 F4 N3 O6 -","- C10 H11 F4 N3 O6 -","- C40 H44 F16 N12 O24 -","4","1","NA6294","Akkurt, Mehmet; Öztürk, Sema; Ramajothi, Jayaraman; Büyükgüngör, Orhan; Dhanuskodi, Sivasubramanian","<small>L</small>-Histidinium tetrafluorosuccinate","Acta Crystallographica Section E","2004","60","4","o481","o483","10.1107/S1600536804004180","","","0.71073","MoKα","","0.0223","0.0215","","","0.0553","0.0557","","","","","","1.08","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203466","15.3005","0.0017","18.586","0.002","12.2311","0.0014","90","","125.509","0.002","90","","2831.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Aminocyclopentanecarboxamide","","- C6 H12 N2 O -","- C6 H12 N2 O -","- C96 H192 N32 O16 -","16","2","NA6295","Song, Qing Bao; Hu, You Hua; Shen, Tian Hua; Jin, Zhi Min","1-Aminocyclopentanecarboxamide","Acta Crystallographica Section E","2004","60","4","o539","o541","10.1107/S1600536804004556","","","0.71073","MoKα","","0.1404","0.0468","","","0.0725","0.106","","","","","","0.937","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203467","22.1158","0.0016","12.8114","0.0009","21.802","0.002","90","","90","","90","","6177.3","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4,5-Bis(2-hydroxybenzoic acid methyl ester)phthalonitrile","Dimethyl 2,2'-(4,5-dimercapto-o-phenylenedioxy)dibenzoate","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C288 H192 N24 O72 -","12","1.5","NA6298","Ocak, Nazan; Büyükgüngör, Orhan; Akdemir, Nesuhi; Ag̃ar, Erbil; Özil, Musa; Erdönmez, Ahmet","Dimethyl 2,2'-(4,5-dicyano-<i>o</i>-phenylenedioxy)dibenzoate","Acta Crystallographica Section E","2004","60","4","o505","o507","10.1107/S1600536804004386","","","0.71073","MoKα","","0.1192","0.0441","","","0.0985","0.1176","","","","","","0.803","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203468","25.1259","0.0019","9.9284","0.0008","7.5207","0.0004","90","","90","","90","","1876.1","0.2","294","2","294","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2[2,2-Dimethyl[1,3,2]dithiagermetan-4-ylidene]malononitrile","","- C6 H6 Ge N2 S2 -","- C6 H6 Ge N2 S2 -","- C48 H48 Ge8 N16 S16 -","8","1","NA6299","Akkurt, Mehmet; Öztürk, Sema; Rıza, Kök Tevfik; Heinemann, Frank W.","2-(2,2-Dimethyl-1,3,2-dithiagermetan-4-ylidene)malononitrile","Acta Crystallographica Section E","2004","60","4","m357","m358","10.1107/S160053680400488X","","","0.71073","MoKα","","0.1148","0.0456","","","0.0629","0.0732","","","","","","1.045","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203469","24.069","0.003","6.1796","0.0004","19.788","0.002","90","","95.513","0.008","90","","2929.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-ylmethyl)piperazine-1-carboxylate","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C112 H160 N16 O40 -","8","1","NA6300","Ocak, Nazan; Işık, Şamil; Dilsiz Aytemir, Mutlu","Ethyl 4-(3-hydroxy-6-methyl-4-oxo-4<i>H</i>-pyran-2-ylmethyl)piperazine-1-carboxylate","Acta Crystallographica Section E","2004","60","4","o561","o563","10.1107/S1600536804005720","","","0.71073","MoKα","","0.056","0.0491","","","0.1553","0.1621","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203470","8.8185","0.001","10.9462","0.0013","12.8297","0.0014","97.514","0.009","106.713","0.009","109.678","0.009","1080.7","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 5,5-dicyano-2-hydroxy-4,6-diphenylcyclohex-1-ene-1,3-dicarboxylate","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","NA6301","Mehmet Akkurt; Sema Öztürk; Edmont Stoyanov; Orhan Büyükgüngör; Dieter Heber","Dimethyl 5,5-dicyano-2-hydroxy-4,6-diphenylcyclohex-1-ene-1,3-dicarboxylate","Acta Crystallographica Section E","2004","60","4","o517","o519","10.1107/S160053680400491X","","","0.71073","MoKα","","0.0626","0.0367","","","0.0886","0.0956","","","","","","0.894","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203471","4.875","0.001","5.306","0.002","10.669","0.003","101.486","0.004","92.884","0.004","90.339","0.004","270.07","0.14","298","2","298","2","","","","","","","","5","P 1","P 1","1","4-Amino-3-(1,2,3,4,5-pentahydroxypentyl)-1,2,4-1H-triazole-5(4H)-thione","4-Amino-3-(1,2,3,4,5-pentahydroxylpentyl)-1,2,4-1H-triazol-5-thione","","- C7 H14 N4 O5 S -","- C7 H14 N4 O5 S -","- C7 H14 N4 O5 S -","1","1","NA6302","Zhang, Li-Xue; Zhang, An-Jiang; Lei, Xin-Xiang; Zou, Kai-Huang; Ng, Seik Weng","4-Amino-3-(1,2,3,4,5-pentahydroxypentyl)-1,2,4-1<i>H</i>-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","4","o613","o615","10.1107/S1600536804005732","","","0.71073","MoKα","","0.0611","0.0465","","","0.0869","0.0949","","","","","","0.995","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203472","7.481","0.001","10.453","0.002","12.123","0.002","90","","107.435","0.002","90","","904.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetraaquabis(4-pyridylthioactetato)copper(II)","","- C14 H20 Cu N2 O8 S2 -","- C14 H20 Cu N2 O8 S2 -","- C28 H40 Cu2 N4 O16 S4 -","2","0.5","NA6303","Fang, Rui-Qin; Zhang, Xian-Ming; Wu, Hai-Shun; Ng^a^, Seik Weng","Tetraaquabis(4-pyridylthioacetato)copper(II)","Acta Crystallographica Section E","2004","60","4","m401","m402","10.1107/S1600536804005331","","","0.71073","MoKα","","0.0681","0.059","","","0.1811","0.1859","","","","","","1.196","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203473","7.4059","0.0017","12.973","0.002","15.184","0.003","89.167","0.017","78.006","0.016","80.22","0.016","1405.9","0.5","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 Cl2 N8 O2 S2 Zn -","- C24 H20 Cl2 N8 O2 S2 Zn -","- C48 H40 Cl4 N16 O4 S4 Zn2 -","2","1","NA6304","Zhi-Yong Wu; Duan-Jun Xu; Kai-Liang Yin","Dichlorobis(thiourea)zinc(II) bis(4,5-diazafluoren-9-one)","Acta Crystallographica Section E","2004","60","4","m514","m516","10.1107/S1600536804006403","","","0.71073","MoKα","","0.056","0.033","","","0.092","0.103","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203474","11.0956","0.0004","17.2715","0.0007","12.24","0.0005","90","","95.695","0.002","90","","2334.07","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aquazinc(II)]-μ-2,2'-dithiodibenzoato] bis(N,N-dimethylformamide)]","","- C20 H24 N2 O7 S2 Zn -","- C20 H24 N2 O7 S2 Zn -","- C80 H96 N8 O28 S8 Zn4 -","4","1","NA6305","Wang, Shun; Hu Mao-Lin; Chen, Fan","<i>catena</i>-Poly[[[aquazinc(II)]-μ-2,2'-dithiodibenzoato] bis(<i>N</i>,<i>N</i>-dimethylformamide)]","Acta Crystallographica Section E","2004","60","4","m413","m415","10.1107/S160053680400621X","","","0.71073","MoKα","","0.0678","0.0536","","","0.1184","0.1252","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203475","12.0008","0.0011","27.4501","0.0016","12.068","0.003","90","","90","","90","","3975.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,6-dichlorobenzylamino)-3-phenyl-5-p-tolyl-4H-1,2,4-triazole","","- C22 H18 Cl2 N4 -","- C22 H18 Cl2 N4 -","- C176 H144 Cl16 N32 -","8","1","NA6306","Dinçer, Muharrem; Özdemir, Namık; Bekircan, Olcay; Şaşmaz, Selami; Kolaylı, Sevgi; Karaoğlu, Şengül Alpay; Işık, Şamil","4-(2,6-Dichlorobenzylamino)-3-phenyl-5-<i>p</i>-tolyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","4","o651","o653","10.1107/S1600536804006452","","","0.71073","MoKα","","0.1642","0.0517","","","0.0844","0.0937","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203476","7.301","0.0004","11.0134","0.0007","29.823","0.002","90","","90","","90","","2398","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Cl N O2 -","- C11 H18 Cl N O2 -","- C88 H144 Cl8 N8 O16 -","8","2","NA6307","Ton, Cuong; Bolte, Michael","Phase transition of 3-dimethylammonio-1-phenylpropan-1-one chloride monohydrate","Acta Crystallographica Section E","2004","60","4","o616","o617","10.1107/S1600536804006208","","","0.71073","MoKα","","0.0303","0.0261","","","0.065","0.0657","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203477","8.568","0.001","10.352","0.001","12.44","0.002","103.73","0.01","102.42","0.01","100.16","0.01","1016.2","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Bis(pyridine-2-carbaldehyde thiosemicarbazonato)cobalt(III) perchlorate","","","- C14 H14 Cl Co N8 O4 S2 -","- C14 H14 Cl Co N8 O4 S2 -","- C28 H28 Cl2 Co2 N16 O8 S4 -","2","1","NG6015","Wang, Heng-Shan; Huang, Ling; Chen, Zhen-Feng; Wang, Xian-Wen; Zhou, Jian; Shi, Shao-Ming; Liang, Hong; Yu, Kai-Bei","Bis(pyridine-2-carbaldehyde thiosemicarbazonato)cobalt(III) perchlorate","Acta Crystallographica Section E","2004","60","4","m354","m356","10.1107/S1600536804004763","","","0.71073","MoKα","","0.0473","0.035","","","0.0879","0.0916","","","","","","1.049","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203478","15.2773","0.0009","10.2049","0.0005","15.4099","0.0007","90","","90","","90","","2402.5","0.2","200.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H24 Br2 Mn N4 -","- C24 H24 Br2 Mn N4 -","- C96 H96 Br8 Mn4 N16 -","4","0.5","OB6344","Jun Sakamoto; Naokazu Yoshikawa; Hiroshi Takashima; Keiichi Tsukahara; Nobuko Kanehisa; Yasushi Kai; Keiko Matsumura","<i>cis</i>-Dibromobis(4,4'-dimethyl-2,2'-bipyridine)manganese(II)","Acta Crystallographica Section E","2004","60","4","m352","m353","10.1107/S1600536804004234","","","0.7107","MoKα","","","0.0615","","","","0.1159","","","","","","1.339","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203479","10.7825","0.0007","13.8572","0.0009","14.5242","0.001","85.633","0.001","80.182","0.001","69.582","0.001","2003.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chloro-bis[chloro(tricyclohexylphosphine-κP)mercury(II)]","","- C18 H33 Cl2 Hg P -","- C18 H33 Cl2 Hg P -","- C72 H132 Cl8 Hg4 P4 -","4","2","OB6350","Liu, Lihua; Zhang, Qian-Feng; Leung, Wa-Hung","Di-μ-chloro-bis[chloro(tricyclohexylphosphine-κ<i>P</i>)mercury(II)]","Acta Crystallographica Section E","2004","60","4","m394","m395","10.1107/S1600536804005288","","","0.71073","MoKα","","0.0347","0.0306","","","0.0726","0.0747","","","","","","1.044","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203480","30.764","0.014","4.922","0.002","26.335","0.013","90","","114.332","0.008","90","","3633","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-Bromo-N-(2-phenyl-1H-indol-7-yl)benzenesulfonamide","","- C20 H15 Br N2 O2 S -","- C20 H15 Br N2 O2 S -","- C160 H120 Br8 N16 O16 S8 -","8","1","OB6351","Huang, Xiang-Hong; Zhang, Qian-Feng; Sung, Herman H. Y.","4-Bromo-<i>N</i>-(2-phenyl-1<i>H</i>-indol-7-yl)benzenesulfonamide","Acta Crystallographica Section E","2004","60","4","o488","o489","10.1107/S1600536804004404","","","0.71073","MoKα","","0.0916","0.0427","","","0.0951","0.1075","","","","","","0.964","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203481","9.511","0.003","16.232","0.004","19.426","0.005","90","","90.6","0.004","90","","2998.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 Mn N10 O16 -","- C12 H44 Mn N10 O16 -","- C48 H176 Mn4 N40 O64 -","4","1","OB6357","Chopra, Deepak; Dagur, Pritesh; Prakash, A. S.; Guru Row, T. N.; Hegde, M. S.","Hexaaquamanganese(II) dinitrate bis(hexamethylenetetramine) tetrahydrate","Acta Crystallographica Section E","2004","60","4","m348","m349","10.1107/S1600536804004337","","","0.71073","MoKα","","0.0683","0.0464","","","0.1078","0.1181","","","","","","1.059","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203482","19.0206","0.0005","4.8326","0.0001","19.3092","0.0008","90","","97.739","0.001","90","","1758.72","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","indomethacin methyl ester","Methyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-ylmethyl]acetate","","- C20 H18 Cl N O4 -","- C20 H18 Cl N O4 -","- C80 H72 Cl4 N4 O16 -","4","1","OM6215","Trask, Andrew V.; Shan, Ning; Jones, William; Motherwell, W. D. Sam","Indomethacin methyl ester","Acta Crystallographica Section E","2004","60","4","o508","o509","10.1107/S1600536804004453","","","0.71073","MoKα","","0.0678","0.0474","","","0.1076","0.1173","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203483","17.464","0.0009","9.471","0.0005","29.823","0.0019","90","","104.153","0.002","90","","4783","0.5","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BPQ-10BT","3,3'-Didecyl-5,5'-bis(4-phenylquinolin-2-yl)-2,2'-bithienyl","","- C58 H64 N2 S2 -","- C58 H64 N2 S2 -","- C232 H256 N8 S8 -","4","1","OM6217","Benedict, Jason B.; Kaminsky, Werner; Tonzola, Christopher J.","3,3'-Didecyl-5,5'-bis(4-phenylquinolin-2-yl)-2,2'-bithienyl","Acta Crystallographica Section E","2004","60","4","o530","o531","10.1107/S1600536804005112","","","0.71073","MoKα","","0.2508","0.0665","","","0.1041","0.1508","","","","","","0.855","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203484","8.8701","0.0009","9.0664","0.0009","11.1751","0.0011","86.38","0.002","79.998","0.002","62.033","0.002","781.51","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,3-bis(5'-bromo-2'-thienyl)quinoxaline","2,3-bis(5-bromothien-2-yl)quinoxaline","","- C16 H8 Br2 N2 S2 -","- C16 H8 Br2 N2 S2 -","- C32 H16 Br4 N4 S4 -","2","1","OM6218","Crundwell, Guy; Linehan, Justin; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.","2,3-Bis(5-bromothien-2-yl)quinoxaline","Acta Crystallographica Section E","2004","60","4","o656","o657","10.1107/S1600536804006816","","","0.71073","MoKα","","0.0522","0.0443","","","0.1141","0.119","","","","","","0.852","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203485","13.4996","0.0006","5.1922","0.0002","22.4019","0.0013","90","","95.88","0.004","90","","1561.95","0.13","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Phenylimidazoline","","- C9 H10 N2 -","- C9 H10 N2 -","- C72 H80 N16 -","8","2","OM6219","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Hydrogen bonding in 2-phenylimidazoline","Acta Crystallographica Section E","2004","60","4","o527","o529","10.1107/S1600536804004623","","","0.71073","MoKα","","0.0828","0.0514","","","0.1306","0.1576","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203486","17.4705","0.0006","11.5964","0.0004","18.6412","0.0007","90","","90","","90","","3776.6","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Triisopropylphenyl isopropyl sulfone","","- C18 H30 O2 S -","- C18 H30 O2 S -","- C144 H240 O16 S8 -","8","1","OM6220","Sandrock, Paul B.; Meyers, Cal Y.; Rath, Nigam P.; Robinson, Paul D.","Isopropyl 2,4,6-triisopropylphenyl sulfone: an aryl sulfone with unusual atom deviations from the aromatic least-squares plane","Acta Crystallographica Section E","2004","60","4","o544","o546","10.1107/S1600536804004635","","","0.71073","MoKα","","0.065","0.047","","","0.125","0.134","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203487","7.1884","0.0011","9.3158","0.0014","12.1699","0.0018","78.605","0.002","81.335","0.002","78.557","0.002","777.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(O,O'-di-p-tolyldithiophosphato-κ^2^S,S')nickel(II)","","- C28 H28 Ni O4 P2 S4 -","- C28 H28 Ni O4 P2 S4 -","- C28 H28 Ni O4 P2 S4 -","1","0.5","OM6221","Zhang, Shu-Shang; Yang, Bo; Wang, Yan-Fang; Li, Xue-Mei; Jiao, Kui; Kassim, Mohammad. B.; Yamin, Bohari. M.","Bis(<i>O,O</i>'-di-<i>p</i>-tolyldithiophosphato-κ^2^<i>S,S</i>')nickel(II)","Acta Crystallographica Section E","2004","60","4","m485","m486","10.1107/S1600536804006440","","","0.71073","MoKα","","0.033","0.03","","","0.081","0.083","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203488","11.425","0.003","12.404","0.004","17.374","0.005","90","","106.951","0.005","90","","2355.2","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(N,N-Di-4-tolylamino)benzaldehyde (3-pyridylcarbonyl)hydrazone monohydrate","","- C27 H26 N4 O2 -","- C27 H26 N4 O2 -","- C108 H104 N16 O8 -","4","1","OM6222","Zou, Wuxin; Yu, Haitao; Meng, Jiben","4-(<i>N,N</i>-Di-4-tolylamino)benzaldehyde (3-pyridylcarbonyl)hydrazone monohydrate","Acta Crystallographica Section E","2004","60","4","o671","o673","10.1107/S1600536804006464","","","0.71073","MoKα","","0.0903","0.05","","","0.1177","0.1381","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203489","8.6493","0.0017","32.089","0.006","8.3107","0.0017","90","","101.42","0.03","90","","2260.9","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')(isothiocyanato- κN)(methanol)nickel(II) chloride","","- C14 H16 Cl N9 Ni O S5 -","- C14 H16 Cl N9 Ni O S5 -","- C56 H64 Cl4 N36 Ni4 O4 S20 -","4","1","OM6223","Liu, Jia-Geng; Xu, Duan-Jun","Bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(isothiocyanato-κ<i>N</i>)(methanol)nickel(II) chloride","Acta Crystallographica Section E","2004","60","4","m403","m405","10.1107/S1600536804005367","","","0.71069","MoKα","","0.071","0.039","","","0.071","0.078","","","","","","0.849","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203490","6.0907","0.0005","12.8263","0.001","6.7722","0.0006","90","","100.029","0.001","90","","520.97","0.07","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Tricarbonyl(η^6^-1,3-dimethylbenzene)chromium","","","- C11 H10 Cr O3 -","- C11 H10 Cr O3 -","- C22 H20 Cr2 O6 -","2","0.5","OM6224","Zeller, Matthias; Hunter, Allen D.; Meta, Chris","Tricarbonyl(η^6^-1,3-dimethylbenzene)chromium","Acta Crystallographica Section E","2004","60","4","m432","m433","10.1107/S1600536804005902","","","0.71073","MoKα","","0.0345","0.032","","","0.0815","0.0828","","","","","","1.116","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203491","11.5948","0.0019","13.44","0.002","13.046","0.002","90","","90","","90","","2033","0.5","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Tricarbonyl(η^6^-1,3-dimethoxybenzene)chromium","","","- C11 H10 Cr O5 -","- C11 H10 Cr O5 -","- C88 H80 Cr8 O40 -","8","1","OM6225","Zeller, Matthias; Hunter, Allen D.; Takas, Nathan J.","Tricarbonyl(η^6^-1,3-dimethoxybenzene)chromium","Acta Crystallographica Section E","2004","60","4","m434","m435","10.1107/S1600536804005914","","","0.71073","MoKα","","0.0487","0.031","","","0.0805","0.089","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203492","8.808","0.003","24.579","0.007","11.984","0.004","90","","97.248","0.006","90","","2573.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O7 -","- C28 H32 N2 O7 -","- C112 H128 N8 O28 -","4","1","RN6012","Wei, Tai-Bao; Zhou, Yan-Qing; Zhang, You-Ming; Zong, Guo-Qiang","4'-Acetylbenzo-15-crown-5 2-naphthyloxyacetylhydrazone","Acta Crystallographica Section E","2004","60","4","o678","o680","10.1107/S1600536804006671","","","0.71073","MoKα","","0.1457","0.0594","","","0.1184","0.1489","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203493","7.1316","0.0006","21.225","0.002","7.1164","0.0006","90","","110.77","0.006","90","","1007.19","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-3-p-chlorobenzyl-4,5-dihydro-1,2,4-triazol-5-one","","- C9 H9 Cl N4 O -","- C9 H9 Cl N4 O -","- C36 H36 Cl4 N16 O4 -","4","1","SU6078","Burcu Arslan; Canan Kazak; Bahittin Kahveci; Erbil Aǧar; Selami S̨as̨maz","4-Amino-3-<i>p</i>-chlorobenzyl-4,5-dihydro-1,2,4-triazol-5-one","Acta Crystallographica Section E","2004","60","4","o578","o579","10.1107/S1600536804005690","","","0.71073","MoKα","","0.0505","0.037","","","0.1101","0.1154","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203494","25.4591","0.0011","14.1058","0.0007","13.2386","0.0006","90","","99.223","0.003","90","","4692.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Hexacarbonyl[μ~2~-η^3^-N-(3-thienylmethylidene)-4- (trimethylsilyl)aniline]diiron","","- C20 H17 Fe2 N O6 S Si -","- C20 H17 Fe2 N O6 S Si -","- C160 H136 Fe16 N8 O48 S8 Si8 -","8","2","SU6079","Imhof, Wolfgang; Berger, Daniel","Hexacarbonyl[μ~2~-η^3^-<i>N</i>-(3-thienylmethylidene)-4-(trimethylsilyl)aniline]diiron","Acta Crystallographica Section E","2004","60","4","m384","m386","10.1107/S1600536804004325","","","0.71073","MoKα","","0.0541","0.0379","","","0.0998","0.1076","","","","","","0.997","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203495","4.9519","0.0001","10.8758","0.0002","12.9078","0.0003","111.985","0.001","95.578","0.001","94.095","0.001","637.17","0.02","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(2-carboxyethyl)-1,4,5,8-naphthalenetetracarboxylic diimine dimethylformamide disolvate","","- C26 H28 N4 O10 -","- C26 H28 N4 O10 -","- C26 H28 N4 O10 -","1","0.5","SU6080","Fallon, Gary D.; Langford, Steven J.; Lee, Marcia A.-P.","<i>N</i>,<i>N</i>'-Bis(2-carboxyethyl)-1,4,5,8-naphthalenetetracarboxylic diimine dimethylformamide disolvate","Acta Crystallographica Section E","2004","60","4","o542","o543","10.1107/S1600536804004350","","","0.71073","MoKα","","0.0685","0.042","","","0.0978","0.1078","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203496","28.637","0.014","7.14","0.003","19.799","0.011","90","","124.688","0.014","90","","3329","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4-methylpiperazinyl)-4-acetamidophenylsulfonamide hydrate","","- C13 H22 N4 O4 S -","- C13 H22 N4 O4 S -","- C104 H176 N32 O32 S8 -","8","1","SU6081","Guo, Ming-Lin","4-Acetamido-<i>N</i>-(4-methylpiperazinyl)benzenesulfonamide monohydrate","Acta Crystallographica Section E","2004","60","4","o574","o575","10.1107/S1600536804005446","","","0.71073","MoKα","","0.0553","0.0424","","","0.1052","0.1144","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203497","10","0.002","9.9641","0.0016","11.661","0.004","90","","97.502","0.008","90","","1152","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Ammonio-1-methylpiperazin-1-ium oxalate dihydrate","","- C7 H19 N3 O6 -","- C7 H19 N3 O6 -","- C28 H76 N12 O24 -","4","1","SU6082","Guo, Ming-Lin","4-Ammonio-1-methylpiperazin-1-ium oxalate dihydrate","Acta Crystallographica Section E","2004","60","4","o576","o577","10.1107/S1600536804005458","","","0.71073","MoKα","","0.0497","0.0369","","","0.0912","0.0996","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203498","12.854","0.007","14.457","0.009","26.686","0.011","90","","100.06","0.04","90","","4883","5","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-(10-Bromoanthracen-9-ylmethyl)-N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2- yl)benzyl]methylamine","","- C28 H29 B Br N O2 -","- C28 H29 B Br N O2 -","- C224 H232 B8 Br8 N8 O16 -","8","1","SU6083","Barkhuizen, David A.; Howie, R. Alan; Maguire, Glenn E.M.; Rademeyer, Melanie","<i>N</i>-(10-Bromoanthracen-9-ylmethyl)-<i>N</i>-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzyl]methylamine at 240K","Acta Crystallographica Section E","2004","60","4","o571","o573","10.1107/S1600536804005410","","","0.71073","MoKα","","0.0936","0.0377","","","0.0747","0.0846","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203499","5.2484","0.0007","8.125","0.001","23.398","0.003","90","","93.422","0.002","90","","996","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-bis(2-pyridylethyl)pyromellitic diimide","","- C24 H18 N4 O4 -","- C24 H18 N4 O4 -","- C48 H36 N8 O8 -","2","0.5","SU6084","Lü, Xingqiang; Su, Chengyong; Kang, Beisheng; Ng, Seik Weng","<i>N</i>,<i>N</i>'-Bis(2-pyridylethyl)pyromellitic diimide","Acta Crystallographica Section E","2004","60","4","o566","o567","10.1107/S1600536804005409","","","0.71073","MoKα","","0.069","0.043","","","0.108","0.124","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203500","25.671","0.005","9.252","0.002","18.329","0.004","90","","106.27","0.03","90","","4178.9","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-benzyl-6-diethylamino-4-phenyl-2H-1,3,5-thiadiazine-2-carboxylate","","- C22 H25 N3 O2 S -","- C22 H25 N3 O2 S -","- C176 H200 N24 O16 S8 -","8","1","SU6085","Emilio Rodriguez-Fernandez; Rafael Del-Campo; Julio J. Criado; Jaun L. Manzano; Francisca Sanz","The antifungal agent methyl 2-benzyl-6-diethylamino-4-phenyl-2<i>H</i>-1,3,5-thiadiazine-2-carboxylate","Acta Crystallographica Section E","2004","60","4","o713","o715","10.1107/S160053680400724X","","","1.5418","CuKα","","0.0619","0.0469","","0.1181","0.1084","","","","1.148","1.185","1.185","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203501","10.391","0.001","12.553","0.002","11.773","0.001","90","","118.961","0.01","90","","1343.6","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","SU6087","Ángel Aguirre-Pérez; Ivan Pérez-Sánchez; Santiago García-Granda","(1<i>RS</i>,3<i>SR</i>,4<i>SR</i>)-3-Methoxy-1-methyl-5-methylene-3-phenyl-1,4-cyclohexanediol","Acta Crystallographica Section E","2004","60","4","o658","o659","10.1107/S1600536804006646","","","1.5418","CuKα","","0.0479","0.0397","","","0.11","0.1185","","","","","","0.925","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203502","8.3514","0.0012","6.7324","0.0005","13.3203","0.0019","90","","104.275","0.011","90","","725.81","0.16","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Adamantan-1-yl)-5-methylbenzo[d][1,3]oxazin-4-one","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C38 H42 N2 O4 -","2","0.5","SU6090","Jonathan D Crane; Eleanor Rogerson","2-(Adamantan-1-yl)-5-methylbenzo[<i>d</i>][1,3]oxazin-4-one","Acta Crystallographica Section E","2004","60","4","o669","o670","10.1107/S1600536804006907","","","0.71073","MoKα","","0.0725","0.0475","","","0.1312","0.1411","","","","","","1.001","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203503","14.0313","0.0008","9.1124","0.0005","15.0553","0.0009","90","","102.703","0.001","90","","1877.84","0.19","163","2","163","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","(1)","Ethyl (E)-2-(4-oxo-1,3-thiazinan-2-ylidene)ethanoate","","- C8 H11 N O3 S -","- C8 H11 N O3 S -","- C64 H88 N8 O24 S8 -","8","2","TK6154","Baranac, Marija; Marković, Rade; Steel, Peter J.","Ethyl (<i>E</i>)-2-(4-oxo-1,3-thiazinan-2-ylidene)ethanoate","Acta Crystallographica Section E","2004","60","4","o484","o485","10.1107/S1600536804004313","","","0.71073","MoKα","","0.048","0.035","","","0.093","0.099","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203504","11.116","0.002","10.48","0.002","11.369","0.002","90","","94.88","0.03","90","","1319.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triethanolamine)cobalt(II) benzene-1,4-dioxydiacetate","","- C22 H38 Co N2 O12 -","- C22 H38 Co N2 O12 -","- C44 H76 Co2 N4 O24 -","2","0.5","TK6159","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Ng, Seik Weng","Bis(triethanolamine)cobalt(II) benzene-1,4-dioxydiacetate","Acta Crystallographica Section E","2004","60","4","m462","m464","10.1107/S1600536804006609","","","0.71073","MoKα","","0.085","0.056","","","0.152","0.165","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203505","7.3772","0.0017","13.453","0.002","12.085","0.002","90","","92.026","0.018","90","","1198.6","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(dimethyl sulfoxide-κO)bis(1-phenylbutane-1,3-dionate-κ^2^O,O')nickel(II)","","- C24 H30 Ni O6 S2 -","- C24 H30 Ni O6 S2 -","- C48 H60 Ni2 O12 S4 -","2","0.5","WK6011","Ernest Meštrović; Ivan Halasz; Dejan-Krešimir Bučar; Marijana Žgela","Bis(dimethyl sulfoxide-κ<i>O</i>)bis(1-phenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2004","60","4","m367","m369","10.1107/S1600536804004854","","","0.71073","MoKα","","0.0724","0.0351","","","0.0556","0.0637","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203506","10.068","0.0007","7.008","0.0005","14.03","0.0013","90","","106.32","0.003","90","","950.02","0.13","180","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H11 B Fe O2 -","- C10 H11 B Fe O2 -","- C40 H44 B4 Fe4 O8 -","4","1","WK6014","Bresner, Christopher; Aldridge, Simon; Fallis, Ian A.; Ooi, Li-Ling","Hydrogen-bonding motifs in the solid-state structure of ferroceneboronic acid","Acta Crystallographica Section E","2004","60","4","m441","m443","10.1107/S1600536804006014","","","0.71073","MoKα","","","0.0545","","","","0.1054","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203507","8.5218","0.001","12.044","0.001","17.028","0.002","90","","101.599","0.005","90","","1712","0.3","130","2","130","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[[(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ^3^-5-hydroxyisophthalato- κ^4^O,O':O'':O'''] monohydrate]","","- C20 H14 Co N2 O6 -","- C20 H14 Co N2 O6 -","- C80 H56 Co4 N8 O24 -","4","1","WK6015","Xin-Yi Cao; Jian Zhang; Yao Kang; Jian-Kai Cheng; Zhao-Ji Li; Xiao-Qin Wan; Yuan-Gen Yao","Poly[[[(1,10-phenanthroline-κ^2^<i>N,N</i>')cobalt(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O,O</i>':<i>O</i>'':<i>O</i>'''] monohydrate]","Acta Crystallographica Section E","2004","60","4","m460","m461","10.1107/S1600536804006348","","","0.71073","MoKα","","0.036","0.034","","","0.088","0.089","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203508","11.497","0.003","5.538","0.001","11.603","0.003","90","","117.792","0.005","90","","653.5","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Benzyl 4-C-nitrosomethyl β-D-arabinopyranoside","(2R,3S,4S,5R)-2-(Benzyloxy)-5-(nitromethyl)tetrahydro-2H-pyran-3,4,5-triol","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C26 H34 N2 O14 -","2","1","WK6016","Jens Andersch; Mikael Bols; Alan Hazell","Benzyl 4-<i>C</i>-nitrosomethyl-β-<small>D</small>-arabinopyranoside","Acta Crystallographica Section E","2004","60","4","o660","o661","10.1107/S1600536804006488","","","0.71073","MoKα","","","0.058","","","","0.052","","","","","","0.989","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203509","10.3884","0.0007","23.2621","0.0014","11.1685","0.0007","90","","108.633","0.001","90","","2557.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","41'-Methyl-4'-(3,4,5-trimethoxyphenyl)dispiro[indene-2,3'-pyrrolidine- 2',3''-indole]-1,2'',3(1''H)-trione","","- C29 H26 N2 O6 -","- C29 H26 N2 O6 -","- C116 H104 N8 O24 -","4","1","WN6212","P. R. Seshadri; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; K. Parthasarathy; R. Raghunathan","1'-Methyl-4'-(3,4,5-trimethoxyphenyl)dispiro[indene-2,3'-pyrrolidine-2',3''-indole]-1,2'',3(1''<i>H</i>)-trione","Acta Crystallographica Section E","2004","60","4","o553","o555","10.1107/S1600536804004957","","","0.71073","MoKα","","0.0943","0.0587","","","0.1483","0.1698","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203510","7.9022","0.0007","11.9197","0.001","12.0382","0.001","84.444","0.002","84.649","0.002","84.176","0.002","1118.76","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-N-methyl-spiro [2-2']-acenaphthen-1'-one-spiro-[3-2""] indan-1"",3""-dione- 4-phenyl pyrrolidine","","- C30 H21 N O3 -","- C30 H21 N O3 -","- C60 H42 N2 O6 -","2","1","WN6213","M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan","1'-Methyl-4'-phenylacenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-2''-indan-2,1'',3''-trione","Acta Crystallographica Section E","2004","60","4","o547","o549","10.1107/S1600536804004969","","","0.71073","MoKα","","0.0657","0.0515","","","0.1395","0.1513","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203511","7.696","0.005","21.23","0.013","11.005","0.007","90","","106.404","0.01","90","","1724.9","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9,10'-bis(3-ethylimidazolium-1-ylmethyl)-9,9':10,10'-bianthracenyl diiodide","","- C40 H38 I2 N4 -","- C40 H38 I2 N4 -","- C80 H76 I4 N8 -","2","0.5","WN6216","Liu Qing-Xiang; Song Hai-bin; Xu Feng-bo; Li Qing-shan; Zhang Zheng-zhi","The photodimer of 1-(anthracen-9-ylmethyl)-3-ethylimidazolium iodide","Acta Crystallographica Section E","2004","60","4","o674","o675","10.1107/S1600536804006749","","","0.71073","MoKα","","0.0515","0.031","","","0.0623","0.0688","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203512","27.701","0.012","4.551","0.002","9.953","0.004","90","","95.418","0.007","90","","1249.1","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(4-bromophenyl)urea","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C52 H40 Br8 N8 O4 -","4","0.5","WN6218","Lin, Qi; Zhang, You-Ming; Wei, Tai-bao; Wang, Hai","<i>N</i>,<i>N</i>'-Bis(4-bromophenyl)urea","Acta Crystallographica Section E","2004","60","4","o696","o698","10.1107/S1600536804005495","","","0.71073","MoKα","","0.0681","0.0419","","","0.1004","0.1099","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203513","12.867","0.0005","14.2568","0.0006","14.2196","0.0006","90","","94.728","0.002","90","","2599.6","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-phenyl-2-phthalimidoethanone","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C128 H88 N8 O24 -","8","2","WN6221","Zhang, Xingguo; Zhong, Ping; Hu, Maolin; Hu, Huanan","1-Phenyl-2-phthalimidoethanone","Acta Crystallographica Section E","2004","60","4","o692","o693","10.1107/S1600536804005653","","","0.71073","MoKα","","0.0682","0.051","","","0.1181","0.1272","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203514","6.981","0.002","13.72","0.004","14.863","0.005","90","","90","","90","","1423.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(α-Hydroxy-2-methoxylbenzylidene)-1-isopropylpyrrolidine-2,4-dione","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","WN6222","You-Quan Zhu; Hai-Bin Song; Chang-Sheng Yao; Ying Gao; Fang-Zhong Hu; Xiao-Mao Zou; Hua-Zheng Yang","3-(α-Hydroxy-2-methoxylbenzylidene)-1-isopropylpyrrolidine-2,4-dione","Acta Crystallographica Section E","2004","60","4","o599","o601","10.1107/S1600536804005951","","","0.71073","MoKα","","0.0575","0.0379","","","0.0829","0.0908","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203515","5.10093","0.00007","5.10093","0.00007","4.4551","0.00007","90","","90","","120","","100.389","0.005","295","","295","","","","","","","","","5","P -6 m 2","P -6 2","187","","potassium calcium flurine-carbonate","","- C Ca F K O3 -","- C Ca F K O3 -","- C Ca F K O3 -","1","0.0833333","WN6225","Chen, Xiaolong; He, Meng; Xu, Yanping; Li Heqing; Tu Qingyun","KCaF(CO~3~), from X-ray Powder Data","Acta Crystallographica, Section E","2004","60","4","i50","i51","10.1107/S1600536804005069","","","1.54056","CuKα~1~","","","","","","","","","","2.26","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203516","5.568","0.002","6.366","0.002","11.62","0.003","102.21","0.02","95.59","0.02","106.68","0.01","380.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Hexaaquacobalt(II) benzene-1,4-dioxydiacetate","","- C10 H20 Co O12 -","- C10 H20 Co O12 -","- C10 H20 Co O12 -","1","0.5","WN6226","Liu, Ji-Wei; Huo, Li-Hua; Gao, Shan; Ng, Seik Weng","Hexaaquacobalt(II) benzene-1,4-dioxydiacetate","Acta Crystallographica Section E","2004","60","4","m439","m440","10.1107/S160053680400594X","","","0.71073","MoKα","","0.046","0.044","","","0.126","0.127","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203517","29.633","0.007","29.633","0.007","12.035","0.003","90","","90","","120","","9152","4","105","2","105","2","","","","","","","","4","P 62","P 62","171","","L-Leucyl-L-isoleucine 0.75-hydrate","","- C12 H25.5 N2 O3.76 -","- C12.0025 H25.528 N2 O3.7615 -","- C288.06 H612.672 N48 O90.276 -","24","4","WN6230","Görbitz, Carl Henrik","<small>L</small>-Leucyl-<small>L</small>-isoleucine 0.75 hydrate","Acta Crystallographica Section E","2004","60","4","o647","o650","10.1107/S1600536804006518","","","0.71073","MoKα","","0.0937","0.0534","","","0.1182","0.1389","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","194389","2020-10-21","18:00:00",""
"2203518","8.2094","0.0018","14.203","0.003","8.1261","0.0018","90","","114.807","0.003","90","","860.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br N5 -","- C4 H12 Br N5 -","- C16 H48 Br4 N20 -","4","1","WN6232","Lu, Liping; Zhang, Hongmei; Feng, Sisi; Zhu, Miaoli","<i>N,N</i>-Dimethylbiguanidium bromide","Acta Crystallographica Section E","2004","60","4","o640","o641","10.1107/S160053680400652X","","","0.71073","MoKα","","0.0422","0.0337","","","0.0729","0.075","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203519","11.7056","0.0009","6.992","0.0005","14.6897","0.0011","90","","92.052","0.001","90","","1201.52","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br2 -","- C14 H12 Br2 -","- C56 H48 Br8 -","4","1","WN6234","Cem Cüneyt Ersanlı; Ufuk Çoruh; Tuncer Hökelek; Vázquez-López, Ezequiel M.; Arif Daştan; Ahmet Erdönmez","(1<i>RS</i>,8<i>SR</i>,9<i>RS</i>,10<i>RS</i>,11<i>RS</i>,12<i>RS</i>)-10,11-Dibromotetracyclo[6.4.2.0^2,7^.0^9,12^]tetradeca-2,4,6,13-tetraene","Acta Crystallographica Section E","2004","60","4","o703","o705","10.1107/S1600536804007305","","","0.71073","MoKα","","0.0573","0.0355","","","0.0776","0.0819","","","","","","0.908","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203520","7.804","0.001","12.078","0.002","19.007","0.003","90","","90","","90","","1791.5","0.5","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Kamebacetal A","(1S,2S,8S,9R,11R,15S,16S,18R)-15,18-dihydroxy-16-methoxy-12,12-dimethyl- 6-methylene-17-oxapentacyclo[7.6.2.1^5,8^.0^1,11^.0^2,8^]octadecan-7-one","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","WW6140","Shi, Hao; Sun, Cui Rong; Pan, Yuan Jiang","The natural diterpenoid kamebacetal A","Acta Crystallographica Section E","2004","60","4","o500","o502","10.1107/S1600536804004416","","","0.71073","MoKα","","0.085","0.0426","","","0.0783","0.0893","","","","","","0.883","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203521","9.194","0.004","7.515","0.004","16.635","0.008","90","","93.784","0.007","90","","1146.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid","","- C13 H9 Cl F N O3 -","- C13 H9 Cl F N O3 -","- C52 H36 Cl4 F4 N4 O12 -","4","1","WW6159","Song, Jian; Zhang, Shun-Xia; Lou, Ke-Xia","7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid","Acta Crystallographica Section E","2004","60","4","o503","o504","10.1107/S1600536804004477","","","0.71073","MoKα","","0.0608","0.0398","","","","0.0939","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203522","10.5346","0.0007","10.9409","0.0007","11.0568","0.0007","83.315","0.002","70.256","0.003","63.245","0.002","1070.09","0.12","273","2","273","2","","","","","","","","3","P -1","-P 1","2","Kadsuranin","5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7- dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole","","- C23 H28 O6 -","- C23 H28 O6 -","- C46 H56 O12 -","2","1","WW6164","Wang, Li-Wei; Chen, Tao; Sun, Hong-Xiang; Xiong, Yi; Zhao, Yu","Kadsuranin: a lignan from the fruit of <i>Schisandra chinensis</i>","Acta Crystallographica Section E","2004","60","4","o513","o514","10.1107/S1600536804004659","","","0.71073","MoKα","","0.1299","0.0831","","","0.1776","0.1964","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203523","12.746","0.004","11.657","0.004","7.25","0.002","90","","95.479","0.004","90","","1072.3","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-[Hydroxy(4-nitrophenyl)methyl]-cyclopent-2-en-1-one","2-[Hydroxy(4-nitrophenyl)methyl]-cyclopent-2-en-1-one","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","WW6165","Huo, Fangjun; Yin, Caixia; Guo, Wei; Xia, Chizhong","2-[Hydroxy(4-nitrophenyl)methyl]cyclopent-2-en-1-one","Acta Crystallographica Section E","2004","60","4","o486","o487","10.1107/S1600536804004465","","","0.71073","MoKα","","0.0972","0.0694","","","0.1566","0.1708","","","","","","1.109","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203524","18.975","0.004","25.92","0.005","8.228","0.002","90","","90","","90","","4046.8","1.5","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","5,10,15,20-Tetraphenylporphyrindiium dichloride diacetonitrile monohydrate","","- C48 H40 Cl2 N6 O -","- C48 H40 Cl2 N6 O -","- C192 H160 Cl8 N24 O4 -","4","0.5","WW6167","Larsen, Frank B.; Hansen, Flemming G.; McKenzie, Christine J.","Synchrotron study of a fully protonated tetraphenyl porphyrin","Acta Crystallographica Section E","2004","60","4","o497","o499","10.1107/S1600536804004489","","","0.69","synchrotron","","0.075","0.0518","","","0.1147","0.1252","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203525","7.515","0.001","13.363","0.002","13.285","0.002","90","","93.65","0.01","90","","1331.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ~2~-azido)-bis(hydrotris(1-pyrazolyl)borato)-di-copper(II)","","- C18 H20 B2 Cu2 N18 -","- C18 H20 B2 Cu2 N18 -","- C36 H40 B4 Cu4 N36 -","2","0.5","WW6170","Wang, Shi; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Di-μ-azido-bis{[hydrotris(pyrazol-1-yl)borato]copper(II)}","Acta Crystallographica Section E","2004","60","4","m376","m377","10.1107/S1600536804004568","","","0.71073","MoKα","","0.0704","0.0488","","","0.1026","0.1098","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203526","15.81","0.003","7.299","0.002","28.55","0.006","90","","90","","90","","3294.6","1.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Dimethylamino-6-(1-methyl-4-nitro-1H-pyrrol-2-yl)-1,3,5-triazine-2-amine dimethylformamide solvate","","- C13 H20 N8 O3 -","- C13 H20 N8 O3 -","- C104 H160 N64 O24 -","8","1","WW6174","Lu, Liping; Qin, Shidong; Zhu, Miaoli; Yang, Pin","4-Dimethylamino-6-(1-methyl-4-nitro-1<i>H</i>-pyrrol-2-yl)-1,3,5-triazine-2-amine dimethylformamide solvate","Acta Crystallographica Section E","2004","60","4","o583","o585","10.1107/S160053680400515X","","","0.71073","MoKα","","0.0975","0.0669","","","0.1303","0.1434","","","","","","1.167","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203527","7.36","0.001","15.811","0.003","10.789","0.002","90","","103.82","0.01","90","","1219.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-ethoxycarbonyl-N'-(2-methylphenyl)thiourea","N-ethoxycarbonyl-N'-(2-methylphenyl)thiourea","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C44 H56 N8 O8 S4 -","4","1","WW6175","Lin, Qi; Zhang, You-Ming; Wei, Tai-bao; Wang, Hai","<i>N</i>-Ethoxycarbonyl-<i>N</i>'-(2-methylphenyl)thiourea","Acta Crystallographica Section E","2004","60","4","o580","o582","10.1107/S1600536804005161","","","0.71073","MoKα","","0.0565","0.0424","","","0.1094","0.1148","","","","","","1.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203528","12.427","0.003","12.833","0.003","6.7816","0.0014","90","","98.62","0.03","90","","1069.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquazinc(II) bis[(4-oxo-4H-pyridine-1-yl)acetate] dihydrate","","- C14 H28 N2 O14 Zn -","- C14 H28 N2 O14 Zn -","- C28 H56 N4 O28 Zn2 -","2","0.5","WW6176","Shan Gao; Zhu-Yan Zhang; Li-Hua Huo; Hui Zhao; Jing-Gui Zhao","Hexaaquazinc(II) bis[(4-oxo-4<i>H</i>-pyridin-1-yl)acetate] dihydrate","Acta Crystallographica Section E","2004","60","4","m444","m446","10.1107/S1600536804006257","","","0.71073","MoKα","","0.0299","0.0272","","","0.0734","0.0752","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203529","13.8789","0.0015","15.41","0.002","22.705","0.002","90","","90","","90","","4856","0.9","93","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H47 Cl3 O6 S2 -","- C57 H47 Cl3 O6 S2 -","- C228 H188 Cl12 O24 S8 -","4","1","YA6197","Ishizuka, Kentaro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji","Conspicuous hydrogen bonds linking (<i>R</i>,<i>R</i>)-3',3''-bisBINOL, methyl 2-methylphenyl (<i>R</i>)-sulfoxide and chloroform in the 1:2:1 complex","Acta Crystallographica Section E","2004","60","4","o607","o609","10.1107/S1600536804005768","","","0.71075","MoKα","","","0.033","","","","0.088","","","","","","1.05","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203530","13.8776","0.0013","6.3855","0.0009","8.4","0.001","90","","90","","90","","744.37","0.15","160","","160","","","","","","","","","4","P n a 21","P 2c -2n","33","","(Chloromethyl)trimethylsilane","","- C4 H11 Cl Si -","- C4 H11 Cl Si -","- C16 H44 Cl4 Si4 -","4","1","YA6200","Fraser, Stewart; Parsons, Simon","(Chloromethyl)trimethylsilane at 160K","Acta Crystallographica Section E","2004","60","4","o564","o565","10.1107/S1600536804005276","","","0.71073","MoKα","","0.044","0.04","","0.115","0.112","0.115","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203531","5.782","0.005","6.171","0.008","6.588","0.007","67.99","0.01","71.93","0.01","86.89","0.01","206.7","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","di-μ-azido-μ-1,2-diaminoethane-disilver(I)","","- C2 H8 Ag2 N8 -","- C2 H8 Ag2 N8 -","- C2 H8 Ag2 N8 -","1","0.5","AC6086","Chun-Xia Ren; Bao-Hui Ye; Wen-Hui Feng; Xiao-Ming Chen; Seik Weng Ng","Polymeric di-μ-azido-μ-1,2-diaminoethane-disilver(I)","Acta Crystallographica Section E","2004","60","5","m652","m653","10.1107/S1600536804009456","","","0.71073","MoKα","","0.0509","0.0495","","","0.1494","0.1519","","","","","","1.124","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203532","12.851","0.006","11.527","0.005","10.677","0.004","90","","96.251","0.007","90","","1572.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[4-(4-methylpiperazin-1-ylsulfonyl)phenyl]acetamide hydrate","","- C13 H21 N3 O4 S -","- C13 H21 N3 O4 S -","- C52 H84 N12 O16 S4 -","4","1","AC6088","Guo, Ming-Lin","<i>N</i>-[4-(4-Methylpiperazin-1-ylsulfonyl)phenyl]acetamide monohydrate","Acta Crystallographica Section E","2004","60","5","o736","o737","10.1107/S1600536804007718","","","0.71073","MoKα","","0.0594","0.0389","","","0.1082","0.1308","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203533","11.494","0.006","12.754","0.005","10.252","0.004","90","","116.478","0.006","90","","1345.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-methylpiperazin-4-ium-1-carbonyl)benzoate monohydrate","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","AC6089","Guo, Ming-Lin","2-(4-Methylpiperazin-4-ium-1-ylcarbonyl)benzoate monohydrate","Acta Crystallographica Section E","2004","60","5","o738","o739","10.1107/S1600536804007706","","","0.71073","MoKα","","0.073","0.0397","","","0.0948","0.1103","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203534","21.738","0.005","9.7","0.002","13.447","0.003","90","","102.442","0.013","90","","2768.8","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trimethyltin(IV)2-(N-maleoyl)-2-methylpropionate","Trimethyltin(IV)2-(N-maleoyl)-2-methylpropionate","","- C11 H17 N O4 Sn -","- C11 H17 N O4 Sn -","- C88 H136 N8 O32 Sn8 -","8","2","AC6093","Parvez, Masood; Ahmed, Sajjad; Ali, Saqib; Bhatti, Moazzam H.; Mazhar, Muhammad","Polymeric [2-(<i>N</i>-maleoyl)-2-methylpropionato]trimethyltin(IV)","Acta Crystallographica Section E","2004","60","5","m554","m556","10.1107/S1600536804007974","","","0.71073","MoKα","","0.076","0.039","","","0.07","0.081","","","","","","0.96","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203535","8.849","0.002","9.803","0.002","17.019","0.003","86.25","0.03","86.22","0.03","67.2","0.03","1356.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[2-(cyclopropyliminiomethyl)naphthalato]dithiocyanatozinc(II)","","- C30 H26 N4 O2 S2 Zn -","- C30 H26 N4 O2 S2 Zn -","- C60 H52 N8 O4 S4 Zn2 -","2","1","AC6095","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","A butterfly-shaped Schiff base complex: bis[2-(cyclopropyliminiomethyl)naphthalato]dithiocyanatozinc(II)","Acta Crystallographica Section E","2004","60","5","m560","m562","10.1107/S1600536804008335","","","0.71073","MoKα","","0.1244","0.0729","","","0.152","0.1716","","","","","","0.927","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203536","11.5535","0.0019","9.3028","0.0011","11.6612","0.0019","90","","110.097","0.009","90","","1177","0.3","173","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[N-(4-hydroxybenzyl)-D,L-alanine]copper(II) tetrahydrate","","- C20 H32 Cu N2 O10 -","- C20 H32 Cu N2 O10 -","- C40 H64 Cu2 N4 O20 -","2","0.5","BR6143","Lou, Ben-Yong; Xu, Ying; Yuan, Da-Qiang; Han, Lei; Hong, Mao-Chun","Bis[<i>N</i>-(4-hydroxybenzyl)-<small>D,L</small>-alaninato]copper(II) tetrahydrate","Acta Crystallographica Section E","2004","60","5","m522","m523","10.1107/S1600536804007342","","","0.71073","MoKα","","0.0592","0.0423","","","0.0863","0.0938","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203537","21.147","0.002","10.664","0.001","15.949","0.002","90","","109.62","0.01","90","","3387.9","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H32 La2 Mo6 O40 Pt -","- La2 Mo6 O40 Pt -","- La8 Mo24 O160 Pt4 -","4","0.5","BR6144","Lee, Uk; Joo, Hea-Chung","La~2~[H~2~PtMo~6~O~24~]·16H~2~O","Acta Crystallographica Section E","2004","60","5","i61","i63","10.1107/S1600536804007445","","","0.71069","MoKα","","0.0371","0.0304","","","0.0693","0.0738","","","","","","1.113","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203538","15.196","0.002","7.2371","0.001","7.5015","0.001","90","","91.476","0.007","90","","824.7","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(3-carboxypropanaminium) tetrachlorocopper(II)","","- C8 H20 Cl4 Cu N2 O4 -","- C8 H20 Cl4 Cu N2 O4 -","- C16 H40 Cl8 Cu2 N4 O8 -","2","0.5","BR6145","Bao-Ling Yuan; Hua-Chun Lan; Yi-Ping Chen; Yan-Bo Li","Bis(3-carboxypropanaminium) tetrachlorocuprate(II)","Acta Crystallographica Section E","2004","60","5","m617","m619","10.1107/S1600536804008803","","","0.71073","MoKα","","0.0525","0.0448","","","0.1258","0.1346","","","","","","0.966","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203539","7.5703","0.0003","19.5133","0.0013","9.7623","0.0007","90","","111.273","0.004","90","","1343.84","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium trihydrogen 1,2,4,5-benzenetetracarboxylate trihydrate","","- C10 H11 K O11 -","- C10 H11 K O11 -","- C40 H44 K4 O44 -","4","1","BR6146","Wang, Chunrong; Chen, Xiaojuan; Huang, Changcang; Zhang, Hanhui; Lian, Zhaoxun; Xiao, GuangCan","Potassium trihydrogen 1,2,4,5-benzenetetracarboxylate trihydrate","Acta Crystallographica Section E","2004","60","5","m641","m643","10.1107/S1600536804008815","","","0.71069","MoKα","","0.0454","0.0322","","","0.0787","0.0839","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203540","6.5304","0.0004","6.9483","0.0003","10.9214","0.0006","90","","101.934","0.002","90","","484.85","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzyluracil","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C22 H20 N4 O4 -","2","1","BT6427","Jin-Chang Ding; Miao-Chang Liu; Hua-Yue Wu; Mao-Lin Hu; Hong-Ping Xiao","1-Benzyluracil","Acta Crystallographica Section E","2004","60","5","o837","o838","10.1107/S1600536804009146","","","0.71073","MoKα","","0.0555","0.0542","","","0.1252","0.1257","","","","","","1.266","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203541","10.946","0.0002","15.0522","0.0003","12.8224","0.0003","90","","114.426","0.0008","90","","1923.54","0.07","291","1","291","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 I O3 -","- C18 H29 I O3 -","- C72 H116 I4 O12 -","4","1","BT6432","Fresu, Sonia; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","<i>rac</i>-(1<i>R</i>,11<i>S</i>,12<i>S</i>)-12-Iodo-15-oxobicyclo[9.3.1]pentadecane-1-carboxylic acid ethyl ester","Acta Crystallographica Section E","2004","60","5","o833","o834","10.1107/S1600536804008025","","","0.71073","MoKα","","0.0715","0.0396","","","0.101","0.1068","","","","","","0.899","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203542","6.2069","0.001","9.2067","0.0015","10.4197","0.0017","92.724","0.003","94.191","0.003","101.615","0.003","580.5","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Br O4 S -","- C10 H13 Br O4 S -","- C20 H26 Br2 O8 S2 -","2","1","BT6433","Zeller, Matthias; Hunter, Allen D.; Sampson, Paul; Chumachenko, Nataliya","(4a<i>SR</i>,7<i>SR</i>,9a<i>RS</i>)-9a-Bromo-7-methyl-5,5-dioxo-1,2,4a,6,7,9a-hexahydro-8-oxa-5λ^6^-thia-1,4-benzocyclohepten-9-one","Acta Crystallographica Section E","2004","60","5","o724","o726","10.1107/S1600536804007603","","","0.71073","MoKα","","0.0425","0.0399","","","0.104","0.1069","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203543","6.0895","0.0005","9.1882","0.0007","10.6027","0.0009","89.383","0.001","86.523","0.001","77.697","0.001","578.55","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Br O4 S -","- C10 H13 Br O4 S -","- C20 H26 Br2 O8 S2 -","2","1","BT6434","Zeller, Matthias; Hunter, Allen D.; Sampson, Paul; Chumachenko, Nataliya","(4a<i>SR</i>,7<i>RS</i>,9a<i>RS</i>)-9a-Bromo-7-methyl-5,5-dioxo-1,2,4a,6,7,9a-hexahydro-8-oxa-5λ^6^-thia-1,4-benzocyclohepten-9-one","Acta Crystallographica Section E","2004","60","5","o727","o728","10.1107/S1600536804007615","","","0.71073","MoKα","","0.0303","0.0294","","","0.0779","0.0784","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203544","10.0232","0.001","10.6255","0.001","11.6726","0.0011","90","","114.062","0.002","90","","1135.13","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O4 S -","- C11 H16 O4 S -","- C44 H64 O16 S4 -","4","1","BT6435","Zeller, Matthias; Hunter, Allen D.; Sampson, Paul; Chumachenko, Nataliya","(4a<i>SR</i>,7<i>RS</i>,9a<i>SR</i>)-7,9a-Dimethyl-5,5-dioxo-1,2,4a,6,7,9a-hexahydro-8-oxa-5λ^6^-thia-1,4-benzocyclohepten-9-one","Acta Crystallographica Section E","2004","60","5","o729","o730","10.1107/S1600536804007627","","","0.71073","MoKα","","0.0367","0.0354","","","0.0954","0.0966","","","","","","1.102","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203545","10.9599","0.0008","22.4386","0.0016","9.1966","0.0007","90","","113.69","0.001","90","","2071.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O4 S -","- C10 H14 O4 S -","- C80 H112 O32 S8 -","8","2","BT6436","Zeller, Matthias; Hunter, Allen D.; Sampson, Paul; Chumachenko, Nataliya","(4a<i>SR</i>,9a<i>SR</i>)-9a-Methyl-5,5-dioxo-1,2,4a,6,7,9a-hexahydro-8-oxa-5λ^6^-thiabenzo-1,4-cyclohepten-9-one","Acta Crystallographica Section E","2004","60","5","o731","o732","10.1107/S1600536804007639","","","0.71073","MoKα","","0.0398","0.0383","","","0.1007","0.1022","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203546","10.2215","0.0011","10.6228","0.0012","12.3584","0.0013","104.178","0.002","97.238","0.002","91.499","0.002","1288.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1'-(4-Methoxybenzoyl)acenaphthene-1-spiro-3'-pyrrolizidine-2'-spiro-3''- 1H-indole-2,2''(1H,3''H)-dione","","- C33 H26 N2 O4 -","- C33 H26 N2 O4 -","- C66 H52 N4 O8 -","2","1","BT6438","M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan","1'-(4-Methoxybenzoyl)acenaphthene-1-spiro-3'-pyrrolizidine-2'-spiro-3''-1<i>H</i>-indole-2,2''(1<i>H</i>,3''<i>H</i>)-dione","Acta Crystallographica Section E","2004","60","5","o873","o875","10.1107/S1600536804009006","","","0.71073","MoKα","","0.1454","0.0854","","","0.169","0.1958","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203547","46.242","0.004","7.7993","0.0006","15.3204","0.0012","90","","98.958","0.002","90","","5458","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,7-Dibromo-4'-(4-bromobenzoyl)-1'-methyl-1H-indole-3-spiro-2'-pyrrolidine- 3'-spiro-3''-1H-indole-2,2''(3H,3''H)-dione methanol solvate","","- C27 H22 Br3 N3 O4 -","- C27 H22 Br3 N3 O4 -","- C216 H176 Br24 N24 O32 -","8","1","BT6439","P. R. Seshadri; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan","5,7-Dibromo-4'-(4-bromobenzoyl)-1'-methyl-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-3''-1<i>H</i>-indole-2,2''(3<i>H</i>,3''<i>H</i>)-dione methanol solvate","Acta Crystallographica Section E","2004","60","5","o870","o872","10.1107/S1600536804009304","","","0.71073","MoKα","","0.113","0.0553","","","0.1456","0.1854","","","","","","0.911","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203548","7.4498","0.0003","19.65","0.0007","8.1251","0.0004","90","","114.316","0.004","90","","1083.91","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis(μ-acetato-κ^2^O:O')bis[(2-aminopyridine-κN)copper(II)]","","- C18 H24 Cu2 N4 O8 -","- C18 H24 Cu2 N4 O8 -","- C36 H48 Cu4 N8 O16 -","2","0.5","BT6443","Sieroń, Lesław","Redetermination of tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(2-aminopyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2004","60","5","m577","m578","10.1107/S1600536804008347","","","0.71073","MoKα","","0.0311","0.0246","","","0.0642","0.0667","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203549","6.2604","0.0012","11.952","0.003","14.775","0.003","113.152","0.016","91.984","0.015","95.864","0.017","1007.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(2,4-Dichlorobenzylamino)-3-phenyl-5-p-tolyl-4H- 1,2,4-triazole","","- C22 H18 Cl2 N4 -","- C22 H18 Cl2 N4 -","- C44 H36 Cl4 N8 -","2","1","BT6445","Petek, Hande; Şenel, İsmet; Bekircan, Olcay; Aǧar, Erbil; Şaşmaz, Selami","4-(2,4-Dichlorobenzylamino)-3-phenyl-5-<i>p</i>-tolyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","5","o831","o832","10.1107/S1600536804009080","","","0.71073","MoKα","","0.2289","0.0741","","","0.0977","0.133","","","","","","0.925","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203550","7.4378","0.0015","9.165","0.0019","7.1002","0.0014","90","","116.348","0.003","90","","433.72","0.15","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-formylglycine","","- C3 H5 N O3 -","- C3 H5 N O3 -","- C12 H20 N4 O12 -","4","1","BT6447","Görbitz, Carl Henrik; Sagstuen, Einar","<i>N</i>-Formylglycine","Acta Crystallographica Section E","2004","60","5","o841","o843","10.1107/S1600536804009122","","","0.71073","MoKα","","0.0453","0.0431","","","0.1206","0.1224","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203551","10.3879","0.0002","11.5449","0.0003","5.7426","0.0001","90","","90","","90","","688.69","0.03","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-acetyl-L-alanine","","- C5 H9 N O3 -","- C5 H9 N O3 -","- C20 H36 N4 O12 -","4","1","BT6448","Görbitz, Carl Henrik; Sagstuen, Einar","<i>N</i>-Acetyl-<small>L</small>-alanine","Acta Crystallographica Section E","2004","60","5","o860","o862","10.1107/S1600536804009353","","","0.71073","MoKα","","0.0413","0.0367","","","0.0975","0.0999","","","","","","1.123","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203552","12.025","0.001","7.877","0.001","12.877","0.001","90","","106.03","0.01","90","","1172.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3-Bromophenyl)phthalimide","","- C14 H8 Br N O2 -","- C14 H8 Br N O2 -","- C56 H32 Br4 N4 O8 -","4","1","BT6450","Lo, Kong Mun; Ng, Seik Weng","<i>N</i>-(3-Bromophenyl)phthalimide","Acta Crystallographica Section E","2004","60","5","o848","o849","10.1107/S1600536804009547","","","0.71073","MoKα","","0.0682","0.0357","","","0.0643","0.0753","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203553","8.095","0.002","6.448","0.002","34.733","0.003","90","","96.43","0.02","90","","1801.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(p-Anisyl)-2-carboxyethanaminium p-toluenesulfonate","","- C17 H21 N O6 S -","- C17 H21 N O6 S -","- C68 H84 N4 O24 S4 -","4","1","BT6451","Lo, Kong Mun; Ng, Seik Weng","1-(<i>p</i>-Anisyl)-2-carboxyethanaminium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2004","60","5","o850","o851","10.1107/S1600536804009572","","","0.71073","MoKα","","0.098","0.058","","","0.138","0.166","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203554","8.6302","0.0006","24.801","0.002","13.2751","0.0009","90","","108.702","0.001","90","","2691.3","0.3","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-benzylthiolato-κ^4^S:S-bis[dicarbonyl(η^5^- cyclopentadienyl)molydenum(II)]","","- C28 H24 Mo2 O4 S2 -","- C28 H24 Mo2 O4 S2 -","- C112 H96 Mo8 O16 S8 -","4","1","BT6453","Wong, Richard Chee Seng; Ooi, Mei Lee; Lo, Kong Mun; Ng, Seik Weng","Di-μ-phenylmethanethiolatobis[dicarbonyl(η^5^-cyclopentadienyl)molydenum(II)]","Acta Crystallographica Section E","2004","60","5","m687","m689","10.1107/S1600536804009936","","","0.71073","MoKα","","0.0444","0.0252","","","0.0466","0.0499","","","","","","0.902","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203555","11.325","0.001","16.104","0.001","22.723","0.001","74.15","0.01","86.1","0.01","69.52","0.01","3732.9","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-phenylmethanethiolato-μ-sulfido-bis[carbonyl(η^5^- cyclopentadienyl)molybdenum(III)]","","- C26 H24 Mo2 O2 S3 -","- C26 H24 Mo2 O2 S3 -","- C156 H144 Mo12 O12 S18 -","6","3","BT6454","Wong, Richard Chee Seng; Ooi, Mei Lee; Ng, Seik Weng","Di-μ-phenylmethanethiolato-μ-sulfido-bis[carbonyl(η^5^-cyclopentadienyl)molybdenum(III)]","Acta Crystallographica Section E","2004","60","5","m690","m692","10.1107/S1600536804009948","","","0.71073","MoKα","","0.0996","0.0663","","","0.1957","0.2157","","","","","","1.067","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203556","7.646","0.001","28.05","0.006","7.67","0.001","90","","118.65","0.01","90","","1443.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dibromophakellin methanol hemisolvate","","- C11.5 H13 Br2 N5 O1.5 -","- C11.495 H12.98 Br2 N5 O1.495 -","- C45.98 H51.92 Br8 N20 O5.98 -","4","2","CF6316","Shi Hai Xu; Xiao Jian Liao; Xiang Chao Zeng; Kai Yang","Dibromophakellin methanol hemisolvate","Acta Crystallographica Section E","2004","60","5","o782","o783","10.1107/S1600536804006622","","","0.71073","MoKα","","0.0804","0.0367","","","0.0624","0.0669","","","","","","0.804","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2203557","11.627","0.001","10.1214","0.0007","25.461","0.002","90","","111.326","0.003","90","","2791.1","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-di-tert-butyl-2-hydroxybenzaldehyde","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","2","CF6340","Duncan M. Tooke; Anthony L. Spek","3,5-Di-<i>tert</i>-butyl-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2004","60","5","o766","o767","10.1107/S160053680400830X","","","0.71073","MoKα","","0.0788","0.0526","","","0.1292","0.1461","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203558","13.872","0.005","9.578","0.006","9.178","0.001","90","","125.35","0.014","90","","994.6","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","Bis(L-ornithinium) chloride nitrate sulfate","Bis(L-ornithinium) chlorid nitrate sulfate","","- C10 H28 Cl N5 O11 S -","- C10 H28 Cl N5 O11 S -","- C20 H56 Cl2 N10 O22 S2 -","2","0.5","CI6349","S. Ramaswamy; B. Sridhar; V. Ramakrishnan; R. K. Rajaram","Bis(<small>L</small>-ornithinium) chloride nitrate sulfate","Acta Crystallographica Section E","2004","60","5","o768","o770","10.1107/S1600536804007238","","","0.71073","MoKα","","0.0514","0.0383","","","0.0855","0.097","","","","","","1.182","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203559","8.8249","0.001","11.92","0.0013","17.203","0.0019","90","","103.161","0.002","90","","1762.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[μ-1,3-bis(2-hydroxylbenzoylimino)propane]tricopper(II) bis(perchlorate)","","- C34 H32 Cl2 Cu3 N4 O12 -","- C34 H32 Cl2 Cu3 N4 O12 -","- C68 H64 Cl4 Cu6 N8 O24 -","2","0.5","CI6353","Yang, Shi-Ping; Yang Hong; Chen, Hong-Mei; Zhang, Fan; Chen, Qiong-Qiong; Yu, Xi-Bin","A trinuclear copper complex, [Cu~3~<i>L</i>~2~](ClO~4~)~2~, where H~2~<i>L</i> is 1,3-bis(2-hydroxybenzoylimino)propane","Acta Crystallographica Section E","2004","60","5","m582","m584","10.1107/S1600536804008293","","","0.71073","MoKα","","0.0878","0.053","","","0.0995","0.1104","","","","","","0.955","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203560","6.243","0.005","16.459","0.005","10.084","0.005","90","","101.13","0.04","90","","1016.7","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[di-μ-benzoato-κ^4^O:O'-disilver(I)]-μ-1,4- diazabicyclo[2.2.2]octane-κ^2^N:N']","","- C20 H22 Ag2 N2 O4 -","- C20 H22 Ag2 N2 O4 -","- C40 H44 Ag4 N4 O8 -","2","0.5","CI6354","Yang, Shi-Ping; Chen, Hong-Mei; Zhang, Fan; Chen, Qiong-Qiong; Yu, Xi-Bin","The chain structure of <i>catena</i>-poly[[di-μ-benzoato-κ^4^<i>O</i>:<i>O</i>'-disilver(I)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","5","m614","m616","10.1107/S1600536804008840","","","0.71073","MoKα","","0.124","0.0546","","","0.1177","0.1478","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203561","7.002","0.004","9.438","0.008","12.658","0.006","79.56","0.05","83.85","0.04","82.98","0.06","813.4","0.9","293","","293","2","","","","","","","","5","P -1","-P 1","2","2-amino-4,6-dimethylpyrimidinium bromide 2-amino-4,6-dimethylpyrimidine monohydrate","2-amino-4,6-dimethylpyrimidinium bromide 2-amino-4,6-dimethylpyrimidine monohydrate","","- C12 H21 Br N6 O -","- C12 H21 Br N6 O -","- C24 H42 Br2 N12 O2 -","2","1","CI6355","Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Francis, Savarimuthu","Co-existence of water-mediated and normal base pairs in a supramolecular ribbon in 2-amino-4,6-dimethylpyrimidinium bromide 2-amino-4,6-dimethylpyrimidine monohydrate","Acta Crystallographica Section E","2004","60","5","o747","o749","10.1107/S1600536804007597","","","0.71073","MoKα","","0.0739","0.0451","","","0.1134","0.136","","","","","","1.14","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203562","5.6556","0.0006","6.3747","0.0007","11.637","0.002","101.809","0.006","96.159","0.008","106.986","0.005","386.45","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Hexaaquamanganese(II) benzene-1,4-dioxyacetate","","- C10 H20 Mn O12 -","- C10 H20 Mn O12 -","- C10 H20 Mn O12 -","1","0.5","CI6356","Liu, Ji-Wei; Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","Hexaaquamanganese(II) benzene-1,4-dioxyacetate","Acta Crystallographica Section E","2004","60","5","m517","m518","10.1107/S1600536804007354","","","0.71073","MoKα","","0.053","0.05","","","0.167","0.169","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203563","14.217","0.002","14.217","0.002","15.852","0.003","90","","90","","120","","2774.8","0.8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","Bis(triphenyltelluronium) hexachlorotellurate","","- C36 H30 Cl6 Te3 -","- C36 H30 Cl6 Te3 -","- C108 H90 Cl18 Te9 -","3","0.166667","CI6357","Närhi, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgrén, Markku","Bis(triphenyltelluronium) hexachlorotellurate","Acta Crystallographica Section E","2004","60","5","o798","o800","10.1107/S1600536804008050","","","0.71073","MoKα","","0.0373","0.032","","","0.0811","0.0828","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203564","11.264","0.002","12.324","0.003","16.137","0.003","98.05","0.03","110.25","0.03","107.55","0.03","1927.6","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","{2-[(1,5-Dimethyl-2-phenyl-3-oxo-2,3-dihydro-1H-pyrazol-4- ylimino)methyl]phenoxy}acetic acid‒methanol (2/1)","","- C20.5 H21 N3 O4.5 -","- C20.5 H21 N3 O4.5 -","- C82 H84 N12 O18 -","4","2","CI6358","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","{2-[(1,5-Dimethyl-2-phenyl-3-oxo-2,3-dihydro-1<i>H</i>-pyrazol-4-ylimino)methyl]phenoxy}acetic acid methanol hemisolvate","Acta Crystallographica Section E","2004","60","5","o801","o803","10.1107/S1600536804008281","","","0.71073","MoKα","","0.186","0.0677","","","0.0933","0.1228","","","","","","0.889","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203565","19.227","0.004","14.948","0.003","36.427","0.007","90","","90","","90","","10469","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tris[2-(cyclopropyliminomethyl)phenolato]manganese(III)","","- C30 H30 Mn N3 O3 -","- C30 H30 Mn N3 O3 -","- C480 H480 Mn16 N48 O48 -","16","2","CI6361","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","Tris[2-(cyclopropyliminomethyl)phenolato]manganese(III)","Acta Crystallographica Section E","2004","60","5","m603","m605","10.1107/S1600536804009018","","","0.71073","MoKα","","0.1787","0.0686","","","0.1506","0.1842","","","","","","0.897","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203566","9.5319","0.0008","10.1713","0.0009","16.4797","0.0014","85.428","0.001","80.718","0.001","79.379","0.001","1547.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","μ-Terephthalato-bis[aquachloro(1,10-phenanthroline)copper(II)] μ-terephthalato-bis[diaqua(1,10-phenanthroline)cuprate(II)] dichloride dihydrate","","- C64 H56 Cl4 Cu4 N8 O16 -","- C64 H56 Cl4 Cu4 N8 O16 -","- C64 H56 Cl4 Cu4 N8 O16 -","1","0.5","CI6362","Fan Chen; Xin-Hua Li; Hong-Ping Xiao; Mao-Lin Hu","μ-Terephthalato-bis[aquachloro(1,10-phenanthroline)copper(II)] μ-terephthalato-bis[diaqua(1,10-phenanthroline)cuprate(II)] dichloride dihydrate","Acta Crystallographica Section E","2004","60","5","m708","m710","10.1107/S1600536804010086","","","0.71073","MoKα","","0.0762","0.0686","","","0.1442","0.1488","","","","","","1.241","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203567","8.364","0.004","9.463","0.005","22.411","0.012","90","","90","","90","","1773.8","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[[2-(2-pyridinyl)-4,4,5,5-tetramethylimidazoline-1- oxyl]thiocyanatonickel(II)]-μ-thiocyanato]","","- C14 H16 N5 Ni O S2 -","- C14 H16 N5 Ni O S2 -","- C56 H64 N20 Ni4 O4 S8 -","4","1","CI6363","Wang, Shu-Ping; Gao, Dong-Zhao; Liao, Dai-Zheng; Jiang, Zong-Hui","A one-dimensional polymeric nickel(II) complex of an imino nitroxide radical with thiocyanate bridges","Acta Crystallographica Section E","2004","60","5","m682","m684","10.1107/S1600536804009717","","","0.71073","MoKα","","0.0789","0.0511","","","0.102","0.1115","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203568","18.7025","0.0015","7.9183","0.0008","10.6063","0.0012","90","","106.007","0.007","90","","1509.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Bromo-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone","","- C16 H12 Br N3 O S -","- C16 H12 Br N3 O S -","- C64 H48 Br4 N12 O4 S4 -","4","1","CI6366","Sadık, Genç; Necmi, Dege; \?Ibrahim, Yılmaz; Alaaddin, Çukurovalı; Dinçer, Muharrem","5-Bromo-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone","Acta Crystallographica Section E","2004","60","5","o889","o891","10.1107/S1600536804009705","","","0.71073","MoKα","","0.1153","0.0378","","","0.0666","0.0825","","","","","","0.8","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203569","30.554","0.006","8.424","0.0017","7.727","0.0015","90","","90","","90","","1988.8","0.7","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","[N,N'-bis(2-hydroxynaphthalmethenylimino)-1,3-propanediaminato]cobalt(II)","","- C25 H20 Co N2 O2 -","- C25 H20 Co N2 O2 -","- C100 H80 Co4 N8 O8 -","4","0.5","CI6367","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","[<i>N,N</i>'-Bis(2-hydroxynaphthylmethylene)-1,3-propanediaminato]cobalt(II)","Acta Crystallographica Section E","2004","60","5","m654","m656","10.1107/S1600536804009559","","","0.71073","MoKα","","0.0503","0.0421","","","0.0925","0.0958","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203570","12.387","0.003","12.816","0.003","6.766","0.001","90","","98.42","0.03","90","","1062.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquacobalt(II) bis[(4-oxo-4H-pyridin-1-yl)acetate] dihydrate","","- C14 H28 Co N2 O14 -","- C14 H28 Co N2 O14 -","- C28 H56 Co2 N4 O28 -","2","0.5","CI6368","Zhu-Yan Zhang; Shan Gao; Li-Hua Huo; Hui Zhao; Jing-Gui Zhao; Ng, Seik Weng","Hexaaquacobalt(II) bis[(4-oxo-4<i>H</i>-pyridin-1-yl)acetate] dihydrate","Acta Crystallographica Section E","2004","60","5","m676","m678","10.1107/S1600536804009675","","","0.71073","MoKα","","0.029","0.027","","","0.079","0.08","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203571","10.55","0.002","7.099","0.001","13.056","0.003","90","","113.7","0.03","90","","895.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis[(2-oxo-1,2-dihydropyridin-1-yl)acetato]magnesium(II)","","- C14 H20 Mg N2 O10 -","- C14 H20 Mg N2 O10 -","- C28 H40 Mg2 N4 O20 -","2","0.5","CI6369","Shan Gao; Li-Hua Huo; Zhu-Yan Zhang; Li-Li Kong; Jing-Gui Zhao","Tetraaquabis[(2-oxo-4<i>H</i>-pyridin-1-yl)acetato]magnesium(II)","Acta Crystallographica Section E","2004","60","5","m679","m681","10.1107/S1600536804009687","","","0.71073","MoKα","","0.048","0.043","","","0.12","0.12","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203572","11.8709","0.0009","16.2732","0.001","10.8433","0.0007","90","","94.656","0.006","90","","2087.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NG38","N-[2-(Azepan-1-yl)-9-isopropyl-9H-purin-6-yl]-4-methoxybenzylamine","","- C22 H30 N6 O -","- C22 H30 N6 O -","- C88 H120 N24 O4 -","4","1","CI6370","Trávníček, Zdeněk; Zatloukal, Marek","<i>N</i>-[2-(Azepan-1-yl)-9-isopropyl-9<i>H</i>-purin-6-yl]-4-methoxybenzylamine","Acta Crystallographica Section E","2004","60","5","o924","o926","10.1107/S1600536804010207","","","0.71073","MoKα","","0.0424","0.0352","","","0.0926","0.0968","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203573","14.7692","0.0011","7.4051","0.0005","11.5752","0.0014","90","","106.898","0.008","90","","1211.3","0.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{4-[(2-Hydroxybenzylidene)amino]phenyl}ethanone","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","CV6285","Yüce, Süheyla; Özek, Arzu; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","A redetermination of 1-{4-[(2-hydroxybenzylidene)amino]phenyl}ethanone","Acta Crystallographica Section E","2004","60","5","o718","o719","10.1107/S160053680400741X","","","0.71073","MoKα","","0.0587","0.0376","","","0.0931","0.1004","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203574","7.775","0.0002","20.118","0.0005","10.59","0.0003","90","","103.888","0.0015","90","","1608.04","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Adeninium perchlorate adenine dihydrate","","- C10 H15 Cl N10 O6 -","- C10 H15 Cl N10 O6 -","- C40 H60 Cl4 N40 O24 -","4","1","CV6292","Zeleňák, Vladimír; Vargová, Zuzana; Císařová, Ivana","Adeninium perchlorate adenine dihydrate","Acta Crystallographica Section E","2004","60","5","o742","o744","10.1107/S1600536804007640","","","0.7107","MoKα","","0.0738","0.0421","","","0.1202","0.1376","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203575","6.999","0.005","11.569","0.005","29.441","0.01","90","","90","","90","","2384","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17a-Allyl-3β-pyrrolidino-17a-aza-D-homoandrost-5-ene monohydrate","","- C26 H44 N2 O -","- C26 H44 N2 O -","- C104 H176 N8 O4 -","4","1","CV6293","Vasuki, G.; Parthasarathi, V.; Thamotharan, S.; Ramamurthi, K.; Piplani, P.; Jindal, D.P.","17<i>a</i>-Allyl-3β-pyrrolidino-17<i>a</i>-aza-<small>D</small>-homoandrost-5-ene monohydrate","Acta Crystallographica Section E","2004","60","5","o745","o746","10.1107/S160053680400786X","","","0.71073","MoKα","","0.0985","0.0503","","","0.142","0.1689","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203576","11.0826","0.0003","12.1879","0.0003","20.7505","0.0005","90","","90","","90","","2802.85","0.12","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Ni O6 S2 -","- C9 H12 N4 Ni O6 S2 -","- C72 H96 N32 Ni8 O48 S16 -","8","1","CV6294","Jia-Geng Liu; Duan-Jun Xu","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(malonato)nickel(II)","Acta Crystallographica Section E","2004","60","5","m541","m543","10.1107/S1600536804008013","","","0.71073","MoKα","","0.027","0.024","","","0.058","0.059","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203577","10.9118","0.0003","11.0998","0.0002","17.4255","0.0004","87.9607","0.0009","81.5984","0.0009","75.2901","0.001","2019.47","0.08","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","Dimethyl sulfoxide/chloroform clathrate of (dimethyl sulfoxide)(tetraphenylporphyrinato)zinc(II)","","- C47.79 H38.95 Cl0.63 N4 O1.79 S1.79 Zn -","- C47.79 H38.95 Cl0.63 N4 O1.79 S1.79 Zn -","- C95.58 H77.9 Cl1.26 N8 O3.58 S3.58 Zn2 -","2","1","CV6295","Vinodu, Mikki; Goldberg, Israel","A dimethyl sulfoxide/chloroform clathrate of (dimethyl sulfoxide)(tetraphenylporphyrinato)zinc(II)","Acta Crystallographica Section E","2004","60","5","m579","m581","10.1107/S1600536804008591","","","0.71073","MoKα","","0.0634","0.0428","","","0.1002","0.1118","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203578","10.604","0.005","7.922","0.005","11.116","0.005","90","","117.965","0.005","90","","824.8","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-1,3,4-thiadiazol-2-amine","","- C8 H7 N3 S -","- C8 H7 N3 S -","- C32 H28 N12 S4 -","4","1","CV6296","Sema Öztürk; Mehmet Akkurt; Ahmet Cansız; Metin Koparır; Mehmet Şekerci; Frank W. Heinemann","2-Amino-5-phenyl-1,3,4-thiadiazole at 110K","Acta Crystallographica Section E","2004","60","5","o820","o821","10.1107/S1600536804008608","","","0.71069","MoKα","","0.0556","0.035","","","0.072","0.0781","","","","","","1.035","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203579","9.9464","0.0009","12.5099","0.0012","12.5779","0.0009","90","","110.585","0.003","90","","1465.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Piperazinium aqua-bis(oxalato)-oxo-vanadium(IV) sesquihydrate","Piperazinium aquabis(oxalato)oxovanadium(IV) sesquihydrate","","- C8 H17 N2 O11.5 V -","- C8 H14 N2 O11.5 V -","- C32 H56 N8 O46 V4 -","4","1","CV6297","Lin, Ling; Wu, Shufang; Huang, Changcang; Zhang, Hanhui; Huang, Xihe; Lian, Zhaoxun","Piperazinium aquabis(oxalato)oxovanadate(IV) sesquihydrate","Acta Crystallographica Section E","2004","60","5","m631","m633","10.1107/S1600536804008918","","","0.71069","MoKα","","0.0585","0.0352","","","0.099","0.1055","","","","","","0.918","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203580","6.289","0.002","7.679","0.003","12.686","0.005","76.147","0.007","88.002","0.007","70.902","0.007","561.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(hydrogen pyrazine-2,3-dicarboxylate)copper(II) N,N'-dimethylformamide disolvate","","- C18 H20 Cu N6 O10 -","- C18 H20 Cu N6 O10 -","- C18 H20 Cu N6 O10 -","1","0.5","CV6298","Guang-Qi Xiang; Nan-Wen Zhu; Mao-Lin Hu; Hong-Ping Xiao; Xiao-Xia Chen","Polymeric bis(hydrogen pyrazine-2,3-dicarboxylato)copper(II) <i>N</i>,<i>N</i>'-dimethylformamide disolvate","Acta Crystallographica Section E","2004","60","5","m647","m649","10.1107/S1600536804009249","","","0.71073","MoKα","","0.099","0.0958","","","0.2619","0.2639","","","","","","1.227","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203581","5.5079","0.0001","13.1233","0.0006","14.3414","0.0007","90","","90","","90","","1036.62","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(1H-1,2,4-Triazole-3-ylsulfanylmethyl)benzoic acid","","- C10 H9 N3 O2 S -","- C10 H9 N3 O2 S -","- C40 H36 N12 O8 S4 -","4","1","CV6299","Han, Lei; Zhou, You-Fu; Wang, Rui-Hu; Hong, Mao-Chun","3-(1<i>H</i>-1,2,4-Triazol-3-ylsulfanylmethyl)benzoic acid","Acta Crystallographica Section E","2004","60","5","o813","o814","10.1107/S1600536804008785","","","0.71073","MoKα","","0.0852","0.0578","","","0.1152","0.1328","","","","","","1.261","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2203582","6.401","0.002","11.5","0.004","13.932","0.004","90","","91.908","0.005","90","","1025","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(η^6^-trifluoromethylbenzene)chromium(0)","","- C10 H5 Cr F3 O3 -","- C10 H5 Cr F3 O3 -","- C40 H20 Cr4 F12 O12 -","4","1","CV6300","Zeller, Matthias; Hunter, Allen D.; Perrine, Cynthia L.; Payton , John","Tricarbonyl(η^6^-trifluoromethylbenzene)chromium(0)","Acta Crystallographica Section E","2004","60","5","m668","m669","10.1107/S1600536804009584","","","0.71073","MoKα","","0.0313","0.0287","","","0.0794","0.0811","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203583","6.4048","0.0008","11.0668","0.0014","12.7124","0.0016","90","","102.94","0.002","90","","878.18","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cr F O3 -","- C9 H5 Cr F O3 -","- C36 H20 Cr4 F4 O12 -","4","1","CV6301","Zeller, Matthias; Hunter, Allen D.; Perrine, Cynthia L.; Payton , John","Tricarbonyl(η^6^-fluorobenzene)chromium","Acta Crystallographica Section E","2004","60","5","m650","m651","10.1107/S1600536804009250","","","0.71073","MoKα","","0.0262","0.0251","","","0.0694","0.0704","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203584","7.954","0.0007","8.6902","0.0007","12.4984","0.0008","108.342","0.006","94.66","0.006","96.76","0.007","807.88","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorophenacyl)-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2(1H)- one","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C38 H40 Cl2 N2 O4 -","2","1","CV6302","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","1-(4-Chlorophenacyl)-4-methyl-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","5","o894","o895","10.1107/S1600536804009730","","","1.5418","CuKα","","0.0448","0.0411","","","0.1032","0.1059","","","","","","1.059","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2203585","6.659","0.001","5.811","0.001","25.992","0.007","90","0.02","91.51","0.02","90","","1005.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ethyl 3-(3,4-dihydroxyphenyl)-2-propenoate","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","CV6303","Chun-Nian Xia; Wei-Xiao Hu; Guo-Wu Rao","Ethyl 3-(3,4-dihydroxyphenyl)-2-propenoate","Acta Crystallographica Section E","2004","60","5","o913","o914","10.1107/S1600536804009961","","","0.71073","MoKα","","0.0511","0.0343","","","0.0931","0.1026","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203586","22.979","0.005","8.718","0.0017","15.697","0.003","90","","90","","90","","3144.6","1.1","293","2","298","2","","","","","","","","3","C m c a","-C 2ac 2","64","","1,2,3,5,6,7,8,9-Octachloro-cyclopenta[def]phenanthren-4-one","","- C15 Cl8 O -","- C15 Cl8 O -","- C120 Cl64 O8 -","8","","CV6304","Ying Peng; Su-Yuan Xie; Shun-Liu Deng; Rong-Bin Huang; Lan-Sun Zheng","1,2,3,5,6,7,8,9-Octachlorocyclopenta[<i>def</i>]phenanthren-4-one","Acta Crystallographica Section E","2004","60","5","o899","o900","10.1107/S1600536804009973","","","0.71073","MoKα","","0.0849","0.0498","","","0.0975","0.1099","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203587","7.5389","0.0012","10.3932","0.0013","14.8992","0.0013","90","","93.881","0.006","90","","1164.7","0.3","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","DN6131","Arıcı, Cengiz; Ülkü, Dinçer; Saçmacı, Mustafa; Üngören, Ş. Hakan; Akçamur, Yunus","4-Acetyl-5-methyl-1-phenyl-1<i>H</i>-pyrazole-3-carboxylic acid","Acta Crystallographica Section E","2004","60","5","o865","o867","10.1107/S1600536804009377","","","0.71073","MoKα","","0.0925","0.0402","","","0.0928","0.1086","","","","","","1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203588","6.191","0.0006","25.697","0.002","13.245","0.0011","90","","92.249","0.005","90","","2105.5","0.3","180","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 Si2 -","- C20 H24 N2 Si2 -","- C80 H96 N8 Si8 -","4","1","DN6133","Khan, Muhammad S.; Ahrens, Birte; Male, Louise; Raithby, Paul R.","5,5'-Bis(trimethylsilylethynyl)-2,2'-bipyridine","Acta Crystallographica Section E","2004","60","5","o915","o916","10.1107/S1600536804010128","","","0.71073","MoKα","","0.0915","0.045","","","0.0958","0.1103","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203589","7.927","0.002","8.185","0.002","10.018","0.002","65","0.02","72.01","0.02","62.82","0.02","518.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","1-(3,4-dimethoxyphenyl)propane-1,2-dione","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","FL6091","Hartung, Jens; Špehar, Kristina; Svoboda, Ingrid; Fuess, Hartmut","An axially chiral 1,2-diketone: 1-(3,4-dimethoxyphenyl)propane-1,2-dione","Acta Crystallographica Section E","2004","60","5","o750","o751","10.1107/S1600536804007755","","","0.71073","MoKα","","0.0985","0.0443","","","0.1076","0.1339","","","","","","0.843","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203590","6.169","0.002","5.41","0.002","22.606","0.004","90","","95.97","0.02","90","","750.4","0.4","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Indan-1,2-dione 2-oxime","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","FL6093","Hartung, Jens; Špehar, Kristina; Svoboda, Ingrid; Fuess, Hartmut","An instance of tandem hydrogen bonding: the geometry of indan-1,2-dione 2-oxime in the solid state","Acta Crystallographica Section E","2004","60","5","o752","o753","10.1107/S1600536804007767","","","0.71073","MoKα","","0.0758","0.0439","","","0.0943","0.1067","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203591","7.126","0.001","7.898","0.001","13.684","0.002","77.698","0.009","85.43","0.01","65.21","0.009","683.09","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[(2-Hydroxy-5-methylphenylamino)methylene]naphthalen-2(1H)-one","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","FL6094","Özek, Arzu; Yüce, Süheyla; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","1-[(2-Hydroxy-5-methylphenylamino)methylene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","5","o828","o830","10.1107/S1600536804008827","","","0.71073","MoKα","","0.1041","0.0468","","","0.1056","0.1209","","","","","","0.878","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203592","6.3452","0.0002","18.6256","0.0006","12.1664","0.0004","90","","92.284","0.002","90","","1436.72","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Aminoclyhexanol, (4-hydroxyclyhexyl)-carbamic acid (1:1)","4-ammoniocyclohexanol‒(4-hydroxycyclohexyl)carbamate (1/1)","","- C13 H26 N2 O4 -","- C13 H26 N2 O4 -","- C52 H104 N8 O16 -","4","1","FL6095","Archan Dey; Gautam R. Desiraju; Raju Mondal; Judith A. K.Howard","A 1:1 molecular complex of 4-aminocyclohexanol and (4-hydroxycyclohexyl)carbamic acid","Acta Crystallographica Section E","2004","60","5","o857","o859","10.1107/S1600536804009134","","","0.71073","MoKα","","0.0544","0.0372","","","0.0918","0.1021","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203593","6.441","0.001","9.4467","0.0003","9.6323","0.0001","88.518","0.002","74.744","0.002","76.66","0.002","549.8","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[diaqua(μ~6~-benzene-1,2,4,5-tetracarboxylato)(μ~6~-2,5- dicarboxybenzene-1,4-dicarboxylato)dilanthanum(III)]","","- C20 H10 La2 O18 -","- C20 H10 La2 O18 -","- C20 H10 La2 O18 -","1","0.5","FL6096","Yi-Hang Wen; Jian Zhang; Zhao-Ji Li; Ye-Yan Qin; Yao Kang; Rui-Feng Hu; Jian-Kai Cheng; Yuan-Gen Yao","Poly[diaqua(μ~6~-benzene-1,2,4,5-tetracarboxylato)(μ~6~-2,5-dicarboxybenzene-1,4-dicarboxylato)dilanthanum(III)]","Acta Crystallographica Section E","2004","60","5","m535","m537","10.1107/S1600536804007779","","","0.71073","MoKα","","","0.0291","","","0.0732","0.0781","","","","","","0.997","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203594","13.355","0.007","10.261","0.005","18.159","0.01","90","","107.946","0.009","90","","2367","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[1-(Methoxycarbonyl)-3-(methylsulfanyl)propylamino](phenyl)methylidene} 3-methyl-1-phenylpyrazol-5(4H)-one","","- C24 H27 N3 O3 S -","- C24 H27 N3 O3 S -","- C96 H108 N12 O12 S4 -","4","1","FL6098","Hai-Zhen Xu; You-Quan Zhu; Xin Zhang; Xu Chen; Hua-Ling Zhu","4-{[1-(Methoxycarbonyl)-3-(methylsulfanyl)propylamino](phenyl)methylidene}3-methyl-1-phenylpyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2004","60","5","o835","o836","10.1107/S1600536804009158","","","0.71073","MoKα","","0.1453","0.0628","","","0.152","0.199","","","","","","1.027","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203595","20.027","0.001","18.774","0.001","29.771","0.002","90","","90","","90","","11193.5","1.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tetrakis(2,2'-bipyridine)tetra-μ~3~-hydroxo-di-μ-trifluoroacetato- tetracobalt(II) diiodide diacetonitrile monohydrate","","- C48 H44 Co4 F6 I2 N10 O9 -","- C48 H44 Co4 F6 I2 N10 O9 -","- C384 H352 Co32 F48 I16 N80 O72 -","8","1","FL6099","Zhao, Hanhua; Bacsa, John; Kim R. Dunbar","Tetrakis(2,2'-bipyridine)tetra-μ~3~-hydroxo-di-μ-trifluoroacetato-tetracobalt(II) diiodide diacetonitrile monohydrate: a compound containing a tetranuclear `cubane'-type cobalt(II) core","Acta Crystallographica Section E","2004","60","5","m637","m640","10.1107/S1600536804008979","","","0.71073","MoKα","","0.0914","0.0582","","","0.1246","0.1388","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203596","10.732","0.001","12.442","0.001","15.523","0.001","106.244","0.002","73.645","0.002","102.621","0.002","1887.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","μ-1,2-Bis(dicyclohexylphosphino)ethane-κ^2^P:P'- bis{[1,2-bis(dicyclohexylphosphino)ethane-κ^2^P,P']palladium(0)}","","- C78 H144 P6 Pd2 -","- C78 H144 P6 Pd2 -","- C78 H144 P6 Pd2 -","1","0.5","FL6100","Boyle, Robert C.; Mague, Joel T.; Fink, Mark J.","μ-1,2-Bis(dicyclohexylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>'-bis{[1,2-bis(dicyclohexylphosphino)ethane-κ^2^<i>P,P</i>']palladium(0)}","Acta Crystallographica Section E","2004","60","5","m625","m627","10.1107/S1600536804008980","","","0.71073","MoKα","","0.0607","0.0413","","","0.0848","0.0893","","","","","","0.941","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203597","13.171","0.002","4.798","0.001","13.276","0.003","90","","117.12","0.02","90","","746.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-naphthol","1-naphthalenol","","- C10 H8 O -","- C10 H8 O -","- C40 H32 O4 -","4","1","FL6101","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr","Redetermination of 1-naphthalenol","Acta Crystallographica Section E","2004","60","5","o884","o885","10.1107/S1600536804009225","","","0.71069","MoKα","","0.0519","0.0374","","","0.1055","0.1125","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203598","9.597","0.002","10.09","0.002","13.577","0.003","90","","94.187","0.002","90","","1311.2","0.5","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,2-dimethyl-3-(2-nitrophenyl)-4,5-dihydroimidazolium iodide","1,2-Dimethyl-3-(2-nitrophenyl)-4,5-dihydroimidazolium iodide","","- C11 H14 I N3 O2 -","- C11 H14 I N3 O2 -","- C44 H56 I4 N12 O8 -","4","1","FL6102","Li, Dong-Hong; Hao, Jun-Sheng; Huo, Fang-Jun; Huang, Shu-Ping; Zhang, Yong-Bin; Xia, Chi-Zhong","1,2-Dimethyl-3-(2-nitrophenyl)-4,5-dihydroimidazolium iodide","Acta Crystallographica Section E","2004","60","5","o844","o845","10.1107/S160053680400916X","","","0.71073","MoKα","","0.0232","0.0211","","","0.0529","0.0539","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203599","10.7353","0.0006","11.3832","0.0002","16.0107","0.0001","76.41","0.03","71.56","0.02","62.855","0.018","1642.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Mn N2 O10 -","- C36 H32 Mn N2 O10 -","- C72 H64 Mn2 N4 O20 -","2","1","HB6012","Jian Wang; Liu Ping; Yun Chen; Zheng Liu","Aquabis(<i>p</i>-methoxybenzoato)(1,10-phenanthroline)manganese(II) <i>p</i>-methoxybenzoic acid","Acta Crystallographica Section E","2004","60","5","m628","m630","10.1107/S1600536804003332","","","0.71073","MoKα","","0.0651","0.0508","","","0.1173","0.1272","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203600","6.0875","0.0001","9.308","0.0002","9.6876","0.0002","115.97","0.001","91.039","0.001","102.127","0.002","478.68","0.018","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 Au2 B2 I2 N4 -","- C8 H22 Au2 B2 I2 N4 -","- C8 H22 Au2 B2 I2 N4 -","1","0.5","HB6029","Kaska, William C.; Mayer, Hermann A.; Elsegood, Mark R. J.; Horton, Peter N.; Hursthouse, Michael B.; Redshaw, Carl; Humphrey, Simon M.","[{(H~3~C)~3~NB(H)~2~NC}~2~Au][AuI~2~]: a linear chain polymer of gold(I) iodide with an unusual isocyanoborane ligand showing aurophilic behaviour","Acta Crystallographica Section E","2004","60","5","m563","m565","10.1107/S1600536804008098","","","0.71073","MoKα","","0.0516","0.0486","","","0.1226","0.1252","","","","","","1.059","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2203601","8.2935","0.0012","14.9729","0.001","9.7568","0.0011","90","","101.192","0.011","90","","1188.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4,5-diazafluorene-9-one)dicyanamidocopper(II)","","- C26 H12 Cu N10 O2 -","- C26 H12 Cu N10 O2 -","- C52 H24 Cu2 N20 O4 -","2","0.5","HB6030","Yang, Hui-Juan; Kou, Hui-Zhong; Gao, Fei; Cui, Ai-Li; Wang, Ru-Ji","Bis(4,5-diazafluoren-9-one)dicyanamidocopper(II)","Acta Crystallographica Section E","2004","60","5","m611","m613","10.1107/S1600536804008876","","","0.71073","MoKα","","0.0604","0.0434","","","0.0925","0.1018","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203602","7.573","0.0008","12.4729","0.0014","13.5236","0.0013","90.205","0.004","101.633","0.005","100.889","0.006","1227.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N7 Ni S3 -","- C22 H25 N7 Ni S3 -","- C44 H50 N14 Ni2 S6 -","2","1","HB6031","Han, Lei; Xu, Ying; Lou, Ben-Yong; Hong, Mao-Chun","Benzyltrimethylammonium tris(pyrimidine-2-thiolato-κ^2^<i>N,S</i>)nickelate(II)","Acta Crystallographica Section E","2004","60","5","m566","m567","10.1107/S1600536804008128","","","0.71073","MoKα","","0.0359","0.031","","","0.0677","0.07","","","","","","1.043","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2203603","10.0927","0.0005","11.0827","0.0005","24.4798","0.001","78.116","0.002","79.305","0.002","74.21","0.002","2553.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-3-(N'-methyl-4,4'-bipyridinium-1-yl)propionamidato]bis[cis- diammineplatinum(II)] hexaperchlorate dihydrate","","- C28 H48 Cl6 N10 O28 Pt2 -","- C28 H44 Cl6 N10 O27.5 Pt2 -","- C56 H88 Cl12 N20 O55 Pt4 -","2","1","HB6032","Sakai, Ken; Yokoyama, Yoshimi; Hama,Hideki; Kato, Kaoru; Ikuta, Yoshie; Tsubomura, Taro; Tanase, Tomoaki","Bis[μ-3-(<i>N</i>'-methyl-4,4'-bipyridinium-1-yl)propionamidato]bis[<i>cis</i>-diammineplatinum(II)] hexaperchlorate dihydrate: a head-to-tail isomer","Acta Crystallographica Section E","2004","60","5","m664","m667","10.1107/S1600536804009523","","","0.71073","MoKα","","0.2556","0.0603","","","0.0878","0.1206","","","","","","0.791","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203604","10.2967","0.0011","14.4563","0.0009","15.3929","0.0014","90","","95.429","0.008","90","","2281","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Bis(ethylenediamine)bis(p-nitrobenzoxasulfamato)copper(II)","","- C16 H22 Cu N8 O10 S2 -","- C16 H22 Cu N8 O10 S2 -","- C64 H88 Cu4 N32 O40 S8 -","4","0.5","HB6033","Kazak, Canan; Yilmaz, Veysel T.; Yazicilar, Turan K.","<i>trans</i>-Bis(ethylenediamine)bis(<i>p</i>-nitrobenzoxasulfamato)copper(II)","Acta Crystallographica Section E","2004","60","5","m593","m595","10.1107/S1600536804008773","","","0.71073","MoKα","","0.0487","0.0352","","","0.0889","0.0907","","","","","","0.907","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203605","13.185","0.003","11.229","0.002","8.73","0.0017","90","","106.7","0.03","90","","1238","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorobis(4-pyridone-κO)cobalt(II)","","- C10 H10 Cl2 Co N2 O2 -","- C10 H10 Cl2 Co N2 O2 -","- C40 H40 Cl8 Co4 N8 O8 -","4","0.5","HB6034","Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Dichlorobis(4-pyridone-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2004","60","5","m609","m610","10.1107/S1600536804008943","","","0.71073","MoKα","","0.0311","0.0287","","","0.0732","0.0745","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203606","7.383","0.002","12.286","0.003","13.91","0.003","85.97","0.03","83.51","0.03","84.07","0.03","1244.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{(acetato-κO)(diacetyl monoxime benzoylhydrazonato-κ^3^O,O',N)- (quinoline-κN)zinc(II)} quinoline solvate","","- C26.5 H25.5 N4.5 O4 Zn -","- C26.5 H25.5 N4.5 O4 Zn -","- C53 H51 N9 O8 Zn2 -","2","1","HB6035","Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Wang, Chong; Zhao, Jing-Gui; Ng, Seik Weng","(Acetato-κ<i>O</i>)(diacetyl monoxime benzoylhydrazonato-κ^3^<i>O</i>,<i>O</i>',<i>N</i>)(quinoline-κ<i>N</i>)zinc(II) quinoline hemisolvate","Acta Crystallographica Section E","2004","60","5","m644","m646","10.1107/S1600536804009389","","","0.71073","MoKα","","0.071","0.051","","","0.125","0.135","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203607","9.7455","0.0007","10.0846","0.0007","14.9766","0.001","81.475","0.006","72.856","0.006","63.805","0.005","1261.76","0.17","293","","293","2","","","","","","","","6","P -1","-P 1","2","","Chloro[(N,N-dimethylamino)methylphenyl- κ^2^C^2^,N](triphenylstibine)palladium(II)","","- C27 H27 Cl N Pd Sb -","- C27 H27 Cl N Pd Sb -","- C54 H54 Cl2 N2 Pd2 Sb2 -","2","1","HB6036","Ayfer Mentes; Büyükgüngör, Orhan","Chloro[(<i>N,N</i>-dimethylamino)methylphenyl-κ^2^<i>C</i>^2^,<i>N</i>](triphenylstibine)palladium(II)","Acta Crystallographica Section E","2004","60","5","m601","m602","10.1107/S1600536804008931","","","0.71073","MoKα","","0.0403","0.0231","","","0.0422","0.0442","","","","","","0.853","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203608","17.226","0.003","10.622","0.002","12.096","0.002","90","","105.42","0.03","90","","2133.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro(methanol-κO)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^O,O',N]iron(III) methanol solvate","","- C18 H23 Cl2 Fe N2 O6 -","- C18 H23 Cl2 Fe N2 O6 -","- C72 H92 Cl8 Fe4 N8 O24 -","4","1","HB6037","Huo, Li-Hua; Gao, Shan; Liu, Ji-Wei; Li, Jing; Zhao, Hui; Zhao, Jing-Gui","Dichloro(methanol-κ<i>O</i>)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^<i>O,O</i>',<i>N</i>]iron(III) methanol solvate","Acta Crystallographica Section E","2004","60","5","m673","m675","10.1107/S160053680400950X","","","0.71073","MoKα","","0.123","0.065","","","0.153","0.187","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203609","10.503","0.007","4.436","0.003","12.571","0.008","90","","111.161","0.008","90","","546.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C20 H20 N4 O8 -","2","0.5","HG6030","Bruce, Michael I.; Kramarczuk Kathy A.; Skelton, Brian W.; White, Allan H.","Diethyl <i>trans</i>-1,2-dicyanoethene-1,2-dicarboxylate at <i>ca</i> 150K","Acta Crystallographica Section E","2004","60","5","o716","o717","10.1107/S1600536804007500","","","0.71073","MoKα","","0.085","0.055","","0.142","","0.142","","","1.095","","","1.095","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203610","9.432","0.0003","9.181","0.0004","14.937","0.0005","90","","94.369","0.002","90","","1289.71","0.08","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bis(pyridine-κN)cobalt(II)]-μ-oxalato] 0.25-hydrate]","","- C12 H10.5 Co N2 O4.25 -","- C12 H10 Co N2 O4.25 -","- C48 H40 Co4 N8 O17 -","4","1","HG6032","Mikki Vinodu; Israel Goldberg","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)cobalt(II)]-μ-oxalato] 0.25-hydrate]","Acta Crystallographica Section E","2004","60","5","m527","m529","10.1107/S1600536804007512","","","0.71073","MoKα","","0.0557","0.0389","","","0.1024","0.1145","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203611","10.2616","0.0012","10.5057","0.0012","21.264","0.002","95.064","0.009","93.438","0.009","102.158","0.009","2224.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3,4,6-Tetraphenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one","","- C29 H20 N4 O -","- C29 H20 N4 O -","- C116 H80 N16 O4 -","4","2","HG6033","Dinçer, Muharrem; Özdemir, Namık; Yıldırım, İsmail; Demir, Elif; Akçamur, Yunus; Işık, Şamil","2,3,4,6-Tetraphenyl-2<i>H</i>-pyrazolo[3,4-<i>d</i>]pyridazin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2004","60","5","o807","o809","10.1107/S1600536804008657","","","0.71073","MoKα","","0.095","0.05","","","0.0815","0.0885","","","","","","0.808","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203612","12.387","0.003","12.816","0.003","6.766","0.001","90","","98.42","0.03","90","","1062.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquanickel(II) bis[(4-oxo-4H-pyridin-1-yl)acetate] dihydrate","","- C14 H28 N2 Ni O14 -","- C14 H28 N2 Ni O14 -","- C28 H56 N4 Ni2 O28 -","2","0.5","HG6034","Zhu-Yan Zhang; Shan Gao; Li-Hua Huo; Hui Zhao; Jing-Gui Zhao; Ng, Seik Weng","Hexaaquanickel(II) bis[(4-oxo-4<i>H</i>-pyridin-1-yl)acetate] dihydrate","Acta Crystallographica Section E","2004","60","5","m544","m545","10.1107/S1600536804007986","","","0.71073","MoKα","","0.033","0.029","","","0.076","0.078","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203613","8.056","0.0016","23.95","0.003","7.8057","0.0016","90","","117.069","0.014","90","","1341.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1-Indanyloxy)phthalonitrile","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","HG6038","Dinçer, Muharrem; Özdemir, Namık; Akdemir, Nesuhi; Özdil, Musa; Ağar, Erbil; Büyükgüngör, Orhan","4-(1-Indanyloxy)phthalonitrile","Acta Crystallographica Section E","2004","60","5","o896","o898","10.1107/S1600536804009699","","","0.71073","MoKα","","0.1609","0.0398","","","0.0559","0.0665","","","","","","0.741","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203614","24.189","0.007","7.747","0.002","13.31","0.004","90","","120.943","0.005","90","","2139.2","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Talatisidine","20-N-Ethyl-1,8,14-trihydroxy-16β,18-dimethoxylycoctonine","","- C23 H37 N O5 -","- C23 H37 N O5 -","- C92 H148 N4 O20 -","4","1","LH6183","Shaheen, Farzana; Ahmad, Manzoor; Anjum, Shazia; Rahman, Azhar Abdul; Fun, Hoong-Kun; Ahmad, Habib; Choudhary, M. Iqbal; Atta-ur-Rahman","20-<i>N</i>-Ethyl-1,8,14-trihydroxy-16β,18-dimethoxylycoctonine","Acta Crystallographica Section E","2004","60","5","o774","o776","10.1107/S1600536804008189","","","0.71073","MoKα","","0.0652","0.063","","","0.1302","0.1311","","","","","","1.281","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203615","8.8736","0.0006","9.6117","0.0007","12.5601","0.0009","69.48","0.005","81.12","0.006","68.915","0.005","935.62","0.12","293","2","293","","","","","","","","","5","P -1","-P 1","2","","Tetracarbonyl{2-[1-(2,6-dimethylphenylimino)ethyl]pyridine- κ^2^N,N'}molybdenum(0)","","- C19 H16 Mo N2 O4 -","- C19 H16 Mo N2 O4 -","- C38 H32 Mo2 N4 O8 -","2","1","LH6186","Ayfer Mentes; Büyükgüngör, Orhan","Tetracarbonyl{2-[1-(2,6-dimethylphenylimino)ethyl]pyridine-κ^2^<i>N,N</i>'}molybdenum(0)","Acta Crystallographica Section E","2004","60","5","m530","m531","10.1107/S1600536804007482","","","0.71073","MoKα","","0.0265","0.0226","","","0.0586","0.0595","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203616","12.088","0.005","20.492","0.009","6.289","0.003","90","","90","","90","","1557.8","1.2","110","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C64 H80 O32 -","8","2","LH6190","Darensbourg, Donald J.; Billodeaux, Damon R.; Ganguly, Poulomi","<i>cis</i>-Perhydro-1,4-benzodioxin-2,3-dione","Acta Crystallographica Section E","2004","60","5","o868","o869","10.1107/S1600536804009055","","","0.71073","MoKα","","","0.0608","","","","0.1407","","","","","","1.113","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203617","9.327","0.003","15.836","0.006","20.691","0.009","90","","101.186","0.014","90","","2998","2","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Astemizole tetrachlorocobaltate(II)","{3-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-ylidene}{1-[2-(4- methoxyphenyl)ethyl]-4-piperidin-1-io}ammonium tetrachlorocobaltate(II)","","- C28 H33 Cl4 Co F N4 O -","- C28 H33 Cl4 Co F N4 O -","- C112 H132 Cl16 Co4 F4 N16 O4 -","4","1","LH6193","Parvez, Masood","Astemizole tetrachlorocobaltate(II)","Acta Crystallographica Section E","2004","60","5","m557","m559","10.1107/S1600536804007743","","","0.71073","MoKα","","0.143","0.065","","","0.13","0.157","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203618","9.061","0.002","10.378","0.002","11.464","0.002","78.01","0.03","67.79","0.03","81.41","0.03","973.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis{2-[3-(cyclohexylamino)propyliminomethyl]naphthalato}cobalt(III) chlorate","","- C40 H50 Cl Co N4 O6 -","- C40 H50 Cl Co N4 O6 -","- C40 H50 Cl Co N4 O6 -","1","0.5","LH6194","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>trans</i>-Bis{2-[3-(cyclohexylamino)propyliminomethyl]naphtholato}cobalt(III) perchlorate","Acta Crystallographica Section E","2004","60","5","m587","m589","10.1107/S1600536804008414","","","0.71073","MoKα","","0.1038","0.0752","","","0.1976","0.2129","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203619","11.371","0.009","12.369","0.011","11.61","0.008","90","","107.12","0.06","90","","1561","2","293","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Br Fe O2 -","- C15 H21 Br Fe O2 -","- C60 H84 Br4 Fe4 O8 -","4","1","LH6195","Holger B. Friedrich; Martin O. Onani; Melanie Rademeyer","Bromopropyldicarbonyl(η^5^-pentamethylcyclopentadienyl)iron(II)","Acta Crystallographica Section E","2004","60","5","m551","m553","10.1107/S1600536804007962","","","0.71073","MoKα","","0.0597","0.0442","","","0.1091","0.12","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203620","9.0245","0.0018","18.407","0.004","13.516","0.003","90","","90","","90","","2245.2","0.8","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","1,2,3,4,4b,4c,6,7,8,9,9b,9c-Dodecachloro-4b,4c,9b,9c- tetrahydrocyclobuta[1,2-a;3,4-a']diindene-5,10-dione","","- C18 Cl12 O2 -","- C18 Cl12 O2 -","- C72 Cl48 O8 -","4","0.5","LH6196","Ying Peng; Su-Yuan Xie; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","1,2,3,4,4b,4c,6,7,8,9,9b,9c-Dodecachloro-4b,4c,9b,9c-tetrahydrocyclobuta[1,2-<i>a</i>;3,4-<i>a</i>']diindene-5,10-dione","Acta Crystallographica Section E","2004","60","5","o762","o763","10.1107/S1600536804008177","","","0.71073","MoKα","","0.04","0.0321","","","0.087","0.0895","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203621","10.097","0.002","10.358","0.002","8.665","0.002","103.08","0.02","101.93","0.02","78.1","0.02","851.5","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","(Z)-2,3-bis(3,4-dimethoxyphenyl)-2-propen-1-ol","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","LH6198","Stomberg, Rolf; Albinsson, Bo; Langer, Vratislav; Li, Shiming; Lundquist, Knut","(<i>Z</i>)-2,3-Bis(3,4-dimethoxyphenyl)-2-propen-1-ol","Acta Crystallographica Section E","2004","60","5","o804","o806","10.1107/S1600536804008578","","","0.71069","MoKα","","0.0989","0.0344","","","0.0839","0.1069","","","","","","0.999","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203622","7.9959","0.0007","6.8268","0.0007","17.2125","0.0017","90","","92.67","0.002","90","","938.55","0.16","103","1","103","1","","","","","","","","4","C 1 m 1","C -2y","8","","1-[1-(4-isopropylcyclohexyl)piperidin-4-yl]indolin-2-one","","- C22 H32 N2 O -","- C22 H32 N2 O -","- C44 H64 N4 O2 -","2","0.5","LH6199","Deschamps, Jeffrey R.; Parrish, Damon; Zaveri, Nurulain T.; Jiang, Faming","1-[1-(<i>trans</i>-4-Isopropylcyclohexyl)piperidin-4-yl]indolin-2-one, one of a novel series of nociceptin receptor ligands","Acta Crystallographica Section E","2004","60","5","o791","o792","10.1107/S1600536804008682","","","0.71073","MoKα","","0.0349","0.0339","","","0.0926","0.0932","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203623","7.7262","0.0004","19.8316","0.001","23.6182","0.0013","90","","90","","90","","3618.8","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Cl N O3 -","- C21 H24 Cl N O3 -","- C168 H192 Cl8 N8 O24 -","8","2","LH6200","Parrish, Damon; Chen, Weibin; Coop, Andrew; Deschamps, Jeffrey R.","7β-Chloro-6,14-<i>endo</i>-etheno-6,7,8,14-tetrahydrothebaine","Acta Crystallographica Section E","2004","60","5","o793","o794","10.1107/S1600536804008670","","","0.71073","MoKα","","0.1009","0.0541","","","0.0972","0.121","","","","","","1.227","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203624","9.334","0.002","11.78","0.002","16.303","0.003","103.54","0.03","104.82","0.03","97.78","0.03","1648","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Triaquabis(benzene-1,3-dioxyacetato)sodium(I) hexaaquachromium(III) pentahydrate","","- C20 H44 Cr Na O26 -","- C20 H44 Cr Na O26 -","- C40 H88 Cr2 Na2 O52 -","2","1","LH6201","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Hexaaquachromium(III) triaquabis(benzene-1,3-dioxyacetato)sodate(I) pentahydrate","Acta Crystallographica Section E","2004","60","5","m622","m624","10.1107/S1600536804009067","","","0.71073","MoKα","","0.063","0.041","","","0.098","0.107","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203625","9.95","0.006","12.06","0.01","12.81","0.01","61.95","0.03","80.65","0.04","73.92","0.03","1302.6","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(1,10-phenanthroline)aquachlorozinc(II)] benzene-1,4-dioxyacetate dihydrate","","- C58 H48 Cl2 N8 O10 Zn2 -","- C58 H48 Cl2 N8 O10 Zn2 -","- C58 H48 Cl2 N8 O10 Zn2 -","1","0.5","LH6202","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Bis[aquachlorobis(1,10-phenanthroline)zinc(II)] benzene-1,4-dioxyacetate dihydrate","Acta Crystallographica Section E","2004","60","5","m620","m621","10.1107/S1600536804009079","","","0.71073","MoKα","","0.058","0.042","","","0.097","0.104","","","","","","1.04","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203626","9.238","0.002","10.435","0.002","19.12","0.004","90","","91.456","0.011","90","","1842.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-Poly[[trimethyltin(IV)]-μ-2,3-bis(4-chlorophenyl)propenoato-κ^2^O:O']","catena-Poly[[trimethyltin(IV)]-μ-2,3-bis(4-chlorophenyl)propenoato-κ^2^O:O']","","- C18 H18 Cl2 O2 Sn -","- C18 H18 Cl2 O2 Sn -","- C72 H72 Cl8 O8 Sn4 -","4","1","LH6203","Sadiq-ur-Rehman; Shouldice, Stephen R.; Ali, Saqib; Badshah, Amin; Parvez, Masood","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2,3-bis(4-chlorophenyl)propenoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","5","m670","m672","10.1107/S1600536804009468","","","0.71073","MoKα","","0.035","0.029","","","0.071","0.073","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203627","8.6555","0.0011","8.6555","0.0011","7.8351","0.0009","90","","90","","120","","508.35","0.11","173","2","173","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- C6 H16 I N -","- C6 H16 I N -","- C12 H32 I2 N2 -","2","0.166667","LH6204","Lerner, Hans-Wolfram; Schödel, Frauke; Echensberger, David; Bolte, Michael","Rerefinement of triethylammonium iodide from new intensity data at low temperature","Acta Crystallographica Section E","2004","60","5","o863","o864","10.1107/S1600536804009183","","","0.71073","MoKα","","0.0298","0.0253","","","0.069","0.0712","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203628","16.8447","0.0016","13.392","0.002","8.3779","0.0008","90","","95.211","0.008","90","","1882.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Phenylpyrazolium nitrate","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C72 H72 N24 O24 -","8","1","LH6205","Haghiri, Alireza; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","3-Phenylpyrazolium nitrate","Acta Crystallographica Section E","2004","60","5","o876","o877","10.1107/S160053680400964X","","","0.71073","MoKα","","0.0592","0.0367","","","0.0768","0.0815","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203629","16.4482","0.0014","19.9095","0.0017","6.7549","0.0006","90","","90","","90","","2212.1","0.3","291","2","291","2","","","","","","","","4","I b a m","-I 2 2c","72","","2-Methoxycarbonyl-4-nitroacetanilide","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C80 H80 N16 O40 -","8","0.5","LH6206","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Methoxycarbonyl-4-nitroacetanilide: π-stacked chains linked in pairs by C—H···O hydrogen bonds","Acta Crystallographica Section E","2004","60","5","o852","o854","10.1107/S1600536804009195","","","0.71073","MoKα","","0.0903","0.0501","","","0.1176","0.1302","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203630","14.9014","0.0012","12.0241","0.001","17.2103","0.0014","90","","91.288","0.002","90","","3082.9","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R)-1,3-Bis(tert-butyldimethylsilyloxy)-2-(4-hydroxybutanamido)- 1-(4-nitrophenyl)propane","","- C25 H46 N2 O6 Si2 -","- C25 H46 N2 O6 Si2 -","- C100 H184 N8 O24 Si8 -","4","2","LH6210","Johansson, Dorte; Larsen, Frank B.; Bond, Andrew D.; Nielsen, Poul","(1<i>R</i>,2<i>R</i>)-1,3-Bis(<i>tert</i>-butyldimethylsilyloxy)-2-(4-hydroxybutanamido)-1-(4-nitrophenyl)propane","Acta Crystallographica Section E","2004","60","5","o907","o908","10.1107/S1600536804009870","","","0.7107","MoKα","","0.1012","0.0564","","","0.1284","0.148","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203631","8.2492","0.0004","10.4014","0.0005","9.385","0.0005","90","","105.171","0.004","90","","777.2","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","LH6211","Tooke, Duncan M.; Spek, Anthony L.; Reedijk, Jan; Kannappan, Ramu","(2-Pyridylmethyl)ammonium nitrate","Acta Crystallographica Section E","2004","60","5","o911","o912","10.1107/S1600536804010013","","","0.71073","MoKα","","0.0777","0.0429","","","0.0847","0.0972","","","","","","1.052","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203632","3.868","0.0014","5.643","0.002","8.364","0.003","100.843","0.016","100.289","0.018","105.706","0.014","167.44","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C6 H8 O4 -","1","0.5","LH6212","Kooijman, Huub; Sprengers, Jeroen W.; Agerbeek, Melvin J.; Elsevier, Cornelis J.; Spek, Anthony L.","Dimethyl fumarate","Acta Crystallographica Section E","2004","60","5","o917","o918","10.1107/S1600536804010177","","","0.71073","MoKα","","0.0486","0.0445","","","0.1174","0.1219","","","","","","1.109","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203633","6.8037","0.0006","7.7391","0.0008","11.9131","0.0009","84.539","0.008","74.277","0.006","78.323","0.007","590.77","0.09","298","2","","","","","","","","","","4","P 1","P 1","1","","(8aR,SS)-Dimethyl 3,5,6,7,8,8a-hexahydro-4-{[(1S)-exo-2-hydroxy-7,7- dimethylbicyclo[2.2.1]heptan-1-yl]methylsulfinyl}-1,2-naphthalenedicarboxylate","","- C24 H34 O6 S -","- C24 H34 O6 S -","- C24 H34 O6 S -","1","1","NA6310","Bruno, Giuseppe; Rotondo, Archimede; Nicoló, Francesco; Aversa, Maria Chiara; Barattucci, Anna; Bonaccorsi, Paola; Giannetto, Placido","(8a<i>R</i>,S<i>S</i>)-Dimethyl 3,5,6,7,8,8a-hexahydro-4-{[(1<i>S</i>)-<i>exo</i>-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl]methylsulfinyl}-1,2-naphthalenedicarboxylate","Acta Crystallographica Section E","2004","60","5","o733","o735","10.1107/S1600536804007366","","","0.71073","MoKα","","","0.0424","","","","0.1005","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203634","8.2135","0.0003","9.2262","0.0003","10.9944","0.0003","90","","108.041","0.0015","90","","792.19","0.04","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 3,6-anhydro-4-azido-5,7-O-(S)-benzylidene-2,4-dideoxy-D-talo-heptonate","","- C15 H17 N3 O5 -","- C15 H17 N3 O5 -","- C30 H34 N6 O10 -","2","1","NA6311","Newton, Christoper R.; Horne, Graeme; Fleet, George W.J.; Nash, Robert J.; Cooper, Richard I.","Methyl 3,6-anhydro-4-azido-5,7-<i>O</i>-(<i>S</i>)-benzylidene-2,4-dideoxy-<small>D</small>-<i>talo</i>-heptonate","Acta Crystallographica Section E","2004","60","5","o839","o840","10.1107/S1600536804008165","","","0.71073","MoKα","","0.0495","0.0353","","0.0919","0.0848","0.0919","","","","","","0.8876","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203635","7.3137","0.0001","10.6657","0.0002","12.6476","0.0003","90","","90","","90","","986.59","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-C-Hydroxymethyl-2,3-O-isopropylidene-D-ribono-1,5-lactam","","- C9 H14 N O5 -","- C9 H14 N O5 -","- C36 H56 N4 O20 -","4","1","NA6312","Newton, Christopher R.; Iezzi, Simone Michela; Fleet, George W. J.; Blériot, Yves; Watkin, David J.","2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,5-lactam","Acta Crystallographica Section E","2004","60","5","o909","o910","10.1107/S1600536804008141","","","0.71073","MoKα","","0.0401","0.0346","","0.0871","0.0848","0.0871","","","","","","0.9789","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203636","7.878","0.002","10.584","0.004","11.184","0.004","68.25","0.03","86.54","0.02","84.4","0.02","861.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ammonium quercetin-5'-sulfonate formamide solvate","ammonium 2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)benzenesulfonate formamide solvate","","- C16 H16 N2 O11 S -","- C16 H16 N2 O11 S -","- C32 H32 N4 O22 S2 -","2","1","NA6313","Mazur, Liliana; Tokarska, Joanna; Koziol, Anna E.; Kopacz, Maria","Ammonium quercetin-5'-sulfonate formamide solvate","Acta Crystallographica Section E","2004","60","5","o779","o781","10.1107/S1600536804008153","","","1.54178","CuKα","","0.1314","0.0489","","","0.1156","0.1425","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203637","8.034","0.002","13.412","0.003","21.624","0.005","76.25","0.05","82.28","0.05","89.73","0.05","2241.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(2,3,5,6-tetrafluoro-4-iodophenyoxymethyl)methane bis(pyridine N-oxide) monohydrate","","- C39 H20 F16 I4 N2 O7 -","- C39 H20 F16 I4 N2 O7 -","- C78 H40 F32 I8 N4 O14 -","2","1","NA6314","Emanuela Guido; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Tetrakis(2,3,5,6-tetrafluoro-4-iodophenyloxymethyl)methane bis(pyridine <i>N</i>-oxide) monohydrate","Acta Crystallographica Section E","2004","60","5","o788","o790","10.1107/S1600536804008438","","","0.71073","MoKα","","0.0538","0.0381","","","0.0923","0.0993","","","","","","0.913","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203638","6.4818","0.0006","10.6714","0.0008","10.9799","0.0011","90","","90","","90","","759.48","0.12","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","D-Galactono-1,4-lactone","D-Galactonic 1,4-lactone","","- C6 H10 O6 -","- C6 H10 O6 -","- C24 H40 O24 -","4","1","NA6315","Amador, Patricia; Flores, Henoc; Bernès, Sylvain","<small>D</small>-Galactono-1,4-lactone: a case of wrong absolute configuration surviving three decades","Acta Crystallographica Section E","2004","60","5","o904","o906","10.1107/S1600536804009882","","","0.71073","MoKα","","0.0287","0.0266","","","0.0744","0.0763","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203639","6.3741","0.0008","19.042","0.002","11.1476","0.0014","90","","102.178","0.01","90","","1322.6","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(2-piperidinoethyl)benzimidazole","","- C14 H19 N3 -","- C14 H19 N3 -","- C56 H76 N12 -","4","1","NA6316","Sevim Türktekin; Mehmet Akkurt; Nihat Şireci; Hasan Küçükbay; Orhan Büyükgüngör","1-(2-Piperidinoethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2004","60","5","o817","o819","10.1107/S1600536804008669","","","0.71073","MoKα","","0.1098","0.0405","","","0.0876","0.1045","","","","","","0.803","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203640","8.9029","0.0002","9.4731","0.0003","18.0856","0.0002","90","","90","","90","","1525.3","0.06","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(Ethylenediamine-κ^2^N)(triethylenetetramine-κ^4^N)nickel hexafluorogermanate","","- C8 H26 F6 Ge N6 Ni -","- C8 H26 F6 Ge N6 Ni -","- C32 H104 F24 Ge4 N24 Ni4 -","4","0.5","NA6318","Guo-Ming Wang; Yan-Qiong Sun; Guo-Yu Yang","(Ethylenediamine-κ^2^<i>N</i>)(triethylenetetramine-κ^4^<i>N</i>)nickel hexafluorogermanate","Acta Crystallographica Section E","2004","60","5","m705","m707","10.1107/S1600536804009791","","","0.71073","MoKα","","0.0589","0.0534","","","0.1225","0.1259","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203641","8.762","0.002","14.937","0.004","8.542","0.007","90","","109.659","0.006","90","","1052.8","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methoxy-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","","- C12 H17 N O -","- C12 H17 N O -","- C48 H68 N4 O4 -","4","1","NA6319","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Ivan V. Fedyanin; Leonid A. Aslanov","2-Methoxy-4-methyl-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine","Acta Crystallographica Section E","2004","60","5","o892","o893","10.1107/S1600536804009651","","","0.71073","MoKα","","0.1029","0.0672","","","0.1492","0.165","","","","","","0.898","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203642","21.177","0.004","12.291","0.003","5.627","0.001","90","","90","","90","","1464.6","0.5","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","NA6320","Arrieta, Antonio F.; Arvid Mostad","5-(4-Hydroxy-3-methoxyphenyl)-1-phenylpent-4-ene-1,3-dione","Acta Crystallographica Section E","2004","60","5","o919","o921","10.1107/S1600536804010037","","","0.71073","MoKα","","0.037","0.032","","","0.084","0.09","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203643","9.7125","0.0015","6.8262","0.0016","15.285","0.003","90","","121.233","0.011","90","","866.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-dimethyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","NA6323","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","1,4-Dimethyl-1,5,6,7-tetrahydro-2<i>H</i>-cyclopenta[<i>b</i>]pyridin-2-one","Acta Crystallographica Section E","2004","60","5","o922","o923","10.1107/S1600536804010025","","","1.5418","CuKα","","0.0471","0.0448","","","0.103","0.1033","","","","","","0.87","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203644","9.984","0.003","11.082","0.004","12.196","0.005","112.954","0.004","110.05","0.004","94.017","0.003","1134.4","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","Bis{1-[(E)-2-pyridinylmethylidene]semicarbazide}cobalt(II) diperchlorate monohydrate","","- C14 H18 Cl2 Co N8 O11 -","- C14 H18 Cl2 Co N8 O11 -","- C28 H36 Cl4 Co2 N16 O22 -","2","1","NG6017","Jian Zhou; Zhen-Feng Chen; Yan-Shu Tan; Xian-Wen Wang; Yu-Hui Tan; Hong Liang; Yong Zhang","Bis{1-[(<i>E</i>)-2-pyridinylmethylidene]semicarbazide}cobalt(II) diperchlorate monohydrate","Acta Crystallographica Section E","2004","60","5","m519","m521","10.1107/S1600536804007494","","","0.71073","MoKα","","0.0659","0.0509","","","0.0992","0.1047","","","","","","1.137","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203645","11.05","0.009","18.502","0.01","9.916","0.005","90","","95.08","0.05","90","","2019","2","297","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Cu N6 O4 -","- C46 H44 Cu N6 O4 -","- C92 H88 Cu2 N12 O8 -","2","0.5","NG6018","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(5,5-diphenylhydantoinato)bis(2-phenylethylamine)copper(II)","Acta Crystallographica Section E","2004","60","5","m524","m526","10.1107/S1600536804007378","","","0.7107","MoKα","","","0.0472","","","","0.1515","","","","","","1.029","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203646","10.168","0.005","10.945","0.005","11.492","0.006","68.232","0.007","89.066","0.008","85.532","0.008","1184","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{N,N'-Bis[(5-chloro-2-hydroxyphenyl)phenylmethylene]ethylendiaminato}nickel(II)","","- C28 H20 Cl2 N2 Ni O2 -","- C28 H20 Cl2 N2 Ni O2 -","- C56 H40 Cl4 N4 Ni2 O4 -","2","1","NG6023","He-Dong Bian; Xiao-E Yang; Qing Yu; Hong Liang; Hong-Gen Wang","{<i>N,N</i>'-Bis[(5-chloro-2-hydroxyphenyl)phenylmethylene]ethylendiaminato}nickel(II)","Acta Crystallographica Section E","2004","60","5","m685","m686","10.1107/S1600536804009663","","","0.71073","MoKα","","0.1075","0.0579","","","0.1248","0.1476","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203647","9.529","0.001","11.471","0.001","12.633","0.002","94.391","0.009","95.409","0.008","102.888","0.005","1333.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κO)[benzoylacetone (4-methoxybenzoyl)hydrazonato- κ^3^O,O',N](quinoline-κN)zinc(II)","","- C29 H27 N3 O5 Zn -","- C29 H27 N3 O5 Zn -","- C58 H54 N6 O10 Zn2 -","2","1","NG6024","Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Chi, Jia-Long; Zhao, Hui","(Acetato-κ<i>O</i>)[benzoylacetone (4-methoxybenzoyl)hydrazonato-κ^3^<i>O,O</i>',<i>N</i>](quinoline-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2004","60","5","m693","m695","10.1107/S1600536804009808","","","0.71073","MoKα","","0.059","0.045","","","0.113","0.12","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203648","7.731","0.002","18.334","0.004","12.931","0.003","90","","100.07","0.03","90","","1804.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetato-κO)[N-(diacetyl monooxime)-N'-benzoylhydrazonato-κ^3^O,N,N'](1H-imidazole-κN^3^)zinc(II)","","- C16 H19 N5 O4 Zn -","- C16 H19 N5 O4 Zn -","- C64 H76 N20 O16 Zn4 -","4","1","NG6025","Huo, Li-Hua; Gao, Shan; Liu, Ji-Wei; Wang, Chong; Zhao, Jing-Gui","(Acetato-κ<i>O</i>)[<i>N</i>-(diacetyl monooxime)-<i>N</i>'-benzoylhydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>'](1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)","Acta Crystallographica Section E","2004","60","5","m696","m698","10.1107/S1600536804009912","","","0.71073","MoKα","","0.047","0.036","","","0.084","0.089","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203649","9.3724","0.0002","21.9527","0.0004","11.4474","0.0002","90","","111.493","0.001","90","","2191.51","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis[1-tert-butyl-1H-imidazole-2(3H)-thione-κS]palladium(II) dichloride dichloromethane disolvate","","- C30 H52 Cl6 N8 Pd S4 -","- C30 H52 Cl6 N8 Pd S4 -","- C60 H104 Cl12 N16 Pd2 S8 -","2","0.5","NG6026","Yu-Ling Wang; Wen-Hua Bi; Xing Li; Rong Cao","Tetrakis[1-<i>tert</i>-butyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione-κ<i>S</i>]palladium(II) dichloride dichloromethane disolvate","Acta Crystallographica Section E","2004","60","5","m699","m700","10.1107/S1600536804009900","","","0.71073","MoKα","","0.0542","0.0437","","","0.0991","0.1064","","","","","","1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203650","9.811","0.003","9.59","0.003","18.87","0.005","90","","102.893","0.005","90","","1730.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-{[(2E)-3-phenylprop-2-enoyl]amino}- 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","1","OB6360","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","Methyl 2-{[(2<i>E</i>)-3-phenylprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","Acta Crystallographica Section E","2004","60","5","o756","o757","10.1107/S1600536804008104","","","0.71073","MoKα","","0.0586","0.0446","","","0.1145","0.1256","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203651","22.201","0.001","8.1176","0.0003","11.8485","0.0005","90","","104.48","0.001","90","","2067.49","0.15","293","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Oxo-N-phenylthiazolidine-3-carboxamide","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C80 H80 N16 O16 S8 -","8","2","OB6361","Weng, Jian-Quan; Shen, De-Long; Tan, Cheng-Xia; Liu, Hui-Jun","2-Oxo-<i>N</i>-phenylthiazolidine-3-carboxamide","Acta Crystallographica Section E","2004","60","5","o822","o823","10.1107/S1600536804008621","","","0.7107","MoKα","","","0.041","","","","0.108","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203652","16.915","0.003","14.003","0.003","10.142","0.002","90","","121.018","0.003","90","","2058.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C80 H104 N8 O16 S8 -","8","1","OB6362","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","Acta Crystallographica Section E","2004","60","5","o758","o759","10.1107/S1600536804008219","","","0.71073","MoKα","","0.1047","0.0777","","","0.1781","0.1897","","","","","","1.176","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203653","11.458","0.0017","7.5134","0.0012","16.307","0.003","90","","110.014","0.002","90","","1319.1","0.4","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 I N2 O -","- C12 H17 I N2 O -","- C48 H68 I4 N8 O4 -","4","1","OB6363","Li, Dong-Hong; Tong, Hong-Bo; Huang, Shuping; Hao, Junsheng; Zhang, Yongbin; Xia, Chi-Zhong","3-(4-Methoxyphenyl)-1,2-dimethyl-4,5-dihydroimidazolium iodide","Acta Crystallographica Section E","2004","60","5","o855","o856","10.1107/S1600536804009213","","","0.71073","MoKα","","0.0296","0.0258","","","0.061","0.0627","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203654","8.0124","0.0013","7.3743","0.0008","22.69","0.004","90","","93.043","0.013","90","","1338.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(4-Nitrophenylamino)methylene]napthalen-2(1H)-one","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","OB6364","Özek, Arzu; Yüce, Süheyla; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","1-[(4-Nitrophenylamino)methylene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","5","o826","o827","10.1107/S1600536804008864","","","0.71073","MoKα","","0.1109","0.0529","","","0.124","0.1451","","","","","","0.823","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203655","10.022","0.005","7.373","0.005","19.156","0.005","90","","91.556","0.005","90","","1415","1.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","ergosterol peroxide","5α,8α-epidioxyergosta-6,22-dien-3β-ol methanol solvate","","- C29 H48 O4 -","- C29 H48 O4 -","- C58 H96 O8 -","2","1","RN6014","Wang, Jian-Feng; Huang, Yao-Jian; Fang, Mei-Juan; Xie, Wen-Ling; Su, Wen-Jin; Zhao, Yu-Fen","5α,8α-Epidioxyergosta-6,22-dien-3β-ol (ergosterol peroxide) methanol solvate","Acta Crystallographica Section E","2004","60","5","o764","o765","10.1107/S160053680400813X","","","0.71073","MoKα","","0.1318","0.0685","","","0.1409","0.1698","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203656","12.9575","0.0015","9.819","0.0011","20.974","0.003","90","","101.483","0.002","90","","2615.1","0.6","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","chlorobis(nicotinamide-κN)(1,4,7-trithiacyclononane-κ^3^S)ruthenium(II) hexafluorophosphate monohydrate","","- C18 H26 Cl F6 N4 O3 P Ru S3 -","- C18 H26 Cl F6 N4 O3 P Ru S3 -","- C72 H104 Cl4 F24 N16 O12 P4 Ru4 S12 -","4","1","SU6086","Adams, Harry; Shan, N.; Thomas, J.","Hydrogen bonding in thiacrown complexes: chlorobis(nicotinamide-κ<i>N</i>)(1,4,7-trithiacyclononane-κ^3^<i>S</i>)ruthenium(II) hexafluorophosphate monohydrate","Acta Crystallographica Section E","2004","60","5","m662","m663","10.1107/S1600536804009602","","","0.71073","MoKα","","0.0591","0.0432","","","0.1074","0.1163","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203657","7.151","0.001","13.229","0.003","16.044","0.003","90","","95.18","0.03","90","","1511.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-hydroxy-2,3,4,7-tetramethoxyxanthone","1-hydroxy-2,3,4,7-tetramethoxy-9H-xanthen-9-one","","- C17 H16 O7 -","- C17 H16 O7 -","- C68 H64 O28 -","4","1","SU6088","Gao-Feng Shi; Run-Hua Lu; Yun-Shang Yang; Chun-lei Li; Ai-Mei Yang; Li-Xiang Cai","1-Hydroxy-2,3,4,7-tetramethoxyxanthone from<i>Swertia Chirayita</i>","Acta Crystallographica Section E","2004","60","5","o878","o880","10.1107/S1600536804009171","","","0.71073","MoKα","","0.2285","0.052","","","0.1161","0.1652","","","","","","0.978","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203658","13.1276","0.0006","23.4257","0.001","22.4129","0.001","90","","102.66","0.002","90","","6724.9","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H60 N3 Nd O4 P4 S3 -","- C75 H60 N3 Nd O4 P4 S3 -","- C300 H240 N12 Nd4 O16 P16 S12 -","4","1","SU6089","Feazell, Rodney P.; Gary, John Brannon; Kautz, Jason A.; Klausmeyer, Kevin K.; Wong, Ching Wah; Zancanella, Manuel","Triisothiocyanatotetrakis(triphenylphosphine oxide)neodymium(III)","Acta Crystallographica Section E","2004","60","5","m532","m534","10.1107/S1600536804006701","","","0.71073","MoKα","","0.037","0.0264","","","0.0631","0.0666","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203659","5.1062","0.0005","22.352","0.002","7.4014","0.0009","90","","108.235","0.005","90","","802.33","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(o-Tolyloxy)acetic acid","(2-Methylphenoxy)acetic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","SU6091","Philip J. Cox; Geraldine Hickey","(2-Methylphenoxy)acetic acid","Acta Crystallographica Section E","2004","60","5","o771","o773","10.1107/S1600536804007883","","","0.71073","MoKα","","0.0996","0.0781","","","0.2108","0.2304","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203660","13.0672","0.0004","6.7829","0.0003","19.2623","0.0008","90","","97.381","0.003","90","","1693.14","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","SU6092","Evain, Michel; Pauvert, Mickaël; Collet, Sylvain; Guingant, Andre","Methyl 1-benzoyl-3-hydroxy-4-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylate","Acta Crystallographica Section E","2004","60","5","o754","o755","10.1107/S1600536804007871","","","0.71069","MoKα","","0.1087","0.0581","","","0.1104","0.1243","","","","","","1.44","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2203661","8.9287","0.0004","13.2618","0.0006","15.188","0.0008","90","","98.505","0.001","90","","1778.64","0.15","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(2-(N,N-dimethylamino)-5-methylphenyl)-diphenylmethanol","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","SU6094","Kranholm, Louise B.; Bond, Andrew D.; McKenzie, Christine J.","[2-(<i>N,N</i>-Dimethylamino)-5-methylphenyl]-diphenylmethanol","Acta Crystallographica Section E","2004","60","5","o846","o847","10.1107/S1600536804009614","","","0.7107","MoKα","","0.0647","0.0481","","","0.1378","0.1528","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203662","7.0796","0.0012","7.0238","0.0011","25.238","0.004","86.954","0.014","85.952","0.014","82.653","0.013","1240.3","0.3","293","","293","2","","","","","","","","3","P -1","-P 1","2","","3,5-Diphenyl-1-methyl-1H-1,2,4-triazole","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","2","TK6158","Yazıcı, Serap; Işık, Şamil; Aǧar, Erbil; Alpay Karaoǧlu, Şengül; Bekircan, Olcay; Kolaylı, Sevgi; Şenel, I̧smet; Orhan Büyükgüngör","1-Methyl-3,5-diphenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","5","o815","o816","10.1107/S160053680400861X","","","0.71073","MoKα","","0.158","0.051","","","0.115","0.141","","","","","","0.72","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203663","13.856","0.01","14.172","0.01","15.863","0.011","95.181","0.012","101.862","0.012","119.151","0.011","2595","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(2-{2-[α-(5-chloro-2-oxidophenyl)benzylideneamino]phenyliminomethyl}- 5-hydroxyphenolato)nickel(II) methanol disolvate","","- C28 H25 Cl N2 Ni O5 -","- C28 H25 Cl N2 Ni O5 -","- C112 H100 Cl4 N8 Ni4 O20 -","4","2","TK6160","Zhu, Bixue; Ruang, Wenjuan; Zhu, Zhiang","A nickel(II) complex of an unsymmetrical tetradentate Schiff base","Acta Crystallographica Section E","2004","60","5","m634","m636","10.1107/S160053680400902X","","","0.71073","MoKα","","0.104","0.053","","","0.108","0.129","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203664","11.7692","0.0011","4.3678","0.0004","10.8889","0.001","90","","93.588","0.001","90","","558.65","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Bis(chloromethyl)-2,2'-bipyridine","","- C12 H10 Cl2 N2 -","- C12 H10 Cl2 N2 -","- C24 H20 Cl4 N4 -","2","0.5","TK6161","Leonard F. Lindoy; John C. McMurtrie; Jason R. Price","6,6'-Bis(chloromethyl)-2,2'-bipyridine","Acta Crystallographica Section E","2004","60","5","o886","o888","10.1107/S1600536804008852","","","0.71073","MoKα","","0.027","0.025","","","0.068","0.069","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203665","18.787","0.004","10.576","0.002","9.097","0.002","90","","95.51","0.03","90","","1799.1","0.7","293","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(flufenamato-O)bis(3-pyridylmethanol-N,O)copper(II) complex","","- C40 H32 Cu F6 N4 O6 -","- C40 H32 Cu F6 N4 O6 -","- C80 H64 Cu2 F12 N8 O12 -","2","0.5","WK6012","Lörinc, Štefan; Koman, Marian; Melník, Milan; Moncoľ, Ján; Ondrušová, Darina","Bis(flufenamato-κ<i>O</i>)bis(3-pyridylmethanol-κ^2^<i>N,O</i>)copper(II)","Acta Crystallographica Section E","2004","60","5","m590","m592","10.1107/S1600536804008086","","","0.71073","MoKα","","0.052","0.039","","","0.089","0.095","","","","","","1.099","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2203666","8.728","0.002","4.847","0.001","21.935","0.004","90","","97.22","0.03","90","","920.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-carboxylphenoxyacetic acid monohydrate","","- C9 H10 O6 -","- C9 H10 O6 -","- C36 H40 O24 -","4","1","WK6017","Chang-Sheng Gu; Ji-Wei Liu; Li-Hua Huo; Hui Zhao; Jing-Gui Zhao; Shan Gao","3-Carboxyphenoxyacetic acid monohydrate","Acta Crystallographica Section E","2004","60","5","o760","o761","10.1107/S1600536804008062","","","0.71073","MoKα","","0.066","0.045","","","0.11","0.117","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203667","12.538","0.006","5.319","0.002","7.327","0.004","90","","116.02","0.05","90","","439.1","0.4","295","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Co H6 K2 O8 P2 -","- Co H6 K2 O8 P2 -","- Co2 H12 K4 O16 P4 -","2","0.25","WM6012","Ouarsal, Rachid; Essehli, Rachid; Lachkar, Mohammed; Zenkouar, Mohammed; Dusek, Michal; Fejfarova, Karla; El Bali, Brahim","Dipotassium cobalt(II) bishydrogenphosphite(III) dihydrate, K~2~Co(HPO~3~)~2~.2H~2~O","Acta Crystallographica, Section E","2004","60","5","i66","i68","10.1107/S1600536804007895","","","0.71069","MoKα","","0.0355","0.022","","","0.0634","0.0695","","","","","","1.22","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203668","14.5859","0.0001","14.6371","0.0001","15.6526","0.0002","67.4428","0.0005","69.0664","0.0004","64.1181","0.0004","2703.11","0.04","150","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 Cu4 I6 K2 O16 -","- C32 H64 Cu4 I6 K2 O16 -","- C64 H128 Cu8 I12 K4 O32 -","2","1","WM6013","Heléne Paulsson; Andreas Fischer; Lars Kloo","Bis[bis(12-crown-4)potassium] hexaiodotetracuprate(I)","Acta Crystallographica Section E","2004","60","5","m548","m550","10.1107/S1600536804007780","","","0.71073","MoKα","","0.0381","0.027","","","0.0573","0.0614","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203669","7.7036","0.0015","7.7036","0.0015","4.019","0.0014","90","","90","","120","","206.56","0.09","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","Cerium palladium indide","","- Ce In Pd -","- Ce In Pd -","- Ce3 In3 Pd3 -","3","0.25","WM6014","Tursina, Anna I.; Nesterenko, Sergei N.; Seropegin, Yuri D.","Intermetallic CePdIn","Acta Crystallographica Section E","2004","60","5","i64","i65","10.1107/S1600536804008566","","","0.71073","MoKα","","0.0491","0.0397","","","0.1036","0.1122","","","","","","0.795","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203670","16.949","0.003","7.368","0.001","13.54","0.003","90","","128.09","0.03","90","","1330.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","caesium cobalt oxalate hydrate","Dicaesium cobalt(II) dioxalate tetrahydrate","","- C4 H8 Co Cs2 O12 -","- C4 H8 Co Cs2 O12 -","- C16 H32 Co4 Cs8 O48 -","4","0.5","WM6015","Schwendtner, Karolina; Kolitsch, Uwe","Cs~2~Co^II^(C~2~O~4~)~2~.4H~2~O","Acta Crystallographica, Section E","2004","60","5","m659","m661","10.1107/S1600536804009626","","","0.71073","MoKα","","0.0187","0.0173","","","0.0412","0.0419","","","","","","1.08","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2203671","8.34","0.003","14.467","0.005","17.675","0.006","90","","94.2","0.008","90","","2126.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9,10-Bis(propylammoniomethyl)anthracene dichloride","","- C22 H30 Cl2 N2 -","- C22 H30 Cl2 N2 -","- C88 H120 Cl8 N8 -","4","1","WN6217","Liu, Qing-Xing; Song, Hai-bin; Li, Zheng-ming","9,10-Bis(propylammoniomethyl)anthracene dichloride","Acta Crystallographica Section E","2004","60","5","o777","o778","10.1107/S1600536804008190","","","0.71073","MoKα","","0.1968","0.0597","","","0.1319","0.1751","","","","","","0.856","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203672","9.519","0.003","12.924","0.004","19.027","0.006","90","","90.744","0.005","90","","2340.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N-Bis(4-chlorophenyl)-4-(2-naphthalen-1-ylvinyl)aniline","","- C30 H21 Cl2 N -","- C30 H21 Cl2 N -","- C120 H84 Cl8 N4 -","4","1","WN6227","Li, Wei; Liu, Dong-Zhi; Zhou, Xue-Qin; Cao, Xiao-Dan","<i>N,N</i>-Bis(4-chlorophenyl)-4-(2-naphthalen-1-ylvinyl)aniline","Acta Crystallographica Section E","2004","60","5","o786","o787","10.1107/S160053680400844X","","","0.71073","MoKα","","0.085","0.0425","","","0.0874","0.1043","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203673","5.0699","0.0001","6.6184","0.0001","12.3638","0.0007","94.71","0.03","98.5","0.03","110.185","0.016","381.13","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Co N2 O10 -","- C14 H12 Co N2 O10 -","- C14 H12 Co N2 O10 -","1","0.5","WN6228","Xu, Ying; Han, Lei; Lou, Ben-Yong; Hong, Mao-Chun","Diaquabis(pyridine-2,5-dicarboxylato)cobalt(II)","Acta Crystallographica Section E","2004","60","5","m585","m586","10.1107/S1600536804008426","","","0.71073","MoKα","","0.0504","0.039","","","0.0935","0.1236","","","","","","1.197","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203674","7.4562","0.0005","20.3619","0.0014","15.8017","0.001","90","","90","","90","","2399.1","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H26 N10 Ni O9 -","- C16 H26 N10 Ni O9 -","- C64 H104 N40 Ni4 O36 -","4","0.5","WN6231","A-Qing Wu; Guang-Hua Guo; Fa-Kun Zheng; Guo-Cong Guo; Jin-Shun Huang","Bis(picolinato-κ^2^<i>N,O</i>)bis(urea-κ<i>O</i>)nickel(II) urea disolvate monohydrate","Acta Crystallographica Section E","2004","60","5","m571","m573","10.1107/S1600536804008487","","","0.71073","MoKα","","0.069","0.0418","","","0.0918","0.109","","","","","","1.012","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203675","10.365","0.006","8.827","0.005","11.001","0.006","90","","104.93","0.02","90","","972.5","1","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butoxycarbonyl-L-alanyl-L-lactic acid benzyl ester","","- C18 H25 N O6 -","- C18 H25 N O6 -","- C36 H50 N2 O12 -","2","1","WN6233","Oku, Hiroyuki; Suda, Tomohiro; Yamada, Keiichi; Katakai, Ryoichi","A short depsipeptide: <i>tert</i>-butoxycarbonyl-<small>L</small>-alanyl-<small>L</small>-lactic acid benzyl ester (Boc-<small>L</small>-Ala-<small>L</small>-Lac-OBzl)","Acta Crystallographica Section E","2004","60","5","o720","o721","10.1107/S1600536804007299","","","1.5418","CuKα","","","0.07","","","","0.182","","","","","","0.935","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203676","23.387","0.005","30.418","0.007","7.3816","0.0016","90","","97.714","0.003","90","","5204","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorobis(1,10-phenanthroline)copper(II) chloride methanol 4.5-hydrate","","- C25 H29 Cl2 Cu N4 O5.5 -","- C25 H29 Cl2 Cu N4 O5.5 -","- C200 H232 Cl16 Cu8 N32 O44 -","8","1","WN6237","Lu, Liping; Qin, Shidong; Yang, Pin; Zhu, Miaoli","Chlorobis(1,10-phenanthroline)copper(II) chloride methanol solvate 4.5-hydrate","Acta Crystallographica Section E","2004","60","5","m574","m576","10.1107/S1600536804008323","","","0.71073","MoKα","","0.1193","0.0973","","","0.2485","0.2789","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203677","7.6344","0.0004","7.7017","0.0004","16.268","0.0009","89.224","0.002","77.873","0.002","69.352","0.001","873.19","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","Diethyl 2,5-di(triisopropylsilylethynyl)terephthalate","","","- C34 H54 O4 Si2 -","- C34 H54 O4 Si2 -","- C34 H54 O4 Si2 -","1","0.5","WN6238","Nicolaisen, Berit; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Diethyl 2,5-bis(triisopropylsilylethynyl)terephthalate","Acta Crystallographica Section E","2004","60","5","o784","o785","10.1107/S1600536804008311","","","0.71073","MoKα","","0.0584","0.0448","","","0.1226","0.1336","","","","","","1.067","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203678","15.8433","0.0012","6.6557","0.0014","20.1339","0.001","90","","112.814","0.005","90","","1957","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6',6'-dichloro-3,3''etheno-3,4,3'',4''-tetrahydro-2H-1,3-benzoxazine-2-spiro- 2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)-4'-spiro-2''-2H-1,3-benzoxazine","","- C16 H16 Cl2 N5 O2 P3 -","- C16 H16 Cl2 N5 O2 P3 -","- C64 H64 Cl8 N20 O8 P12 -","4","1","WN6239","Tercan, Barış; Hökelek, Tuncer; Bilge, Selen; Natsagdorj, Amgalan; Demiriz, Şemsay; Kılıç, Zeynel","6',6'-Dichloro-3,3''-etheno-3,4,3'',4''-tetrahydro-2<i>H</i>-1,3-benzoxazine-2-spiro-2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)-4'-spiro-2''-2<i>H</i>-1,3-benzoxazine","Acta Crystallographica Section E","2004","60","5","o795","o797","10.1107/S160053680400858X","","","0.71073","MoKα","","0.159","0.0574","","","0.1288","0.1652","","","","","","0.981","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203679","10.005","0.015","29.38","0.04","10.323","0.016","90","","111.04","0.02","90","","2832","7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquabis(N-benzoylalaninato-κO)(1,10-phenanthroline-κ^2^N,N')zinc(II)","","- C32 H30 N4 O7 Zn -","- C32 H30 N4 O7 Zn -","- C128 H120 N16 O28 Zn4 -","4","1","WN6241","Fu, Ai-Yun; Sun, Yong-Ling; Wang, Da-Qi; Zhang, Wen-Sheng; Ren, An-Kun","Aquabis(<i>N</i>-benzoylalaninato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')zinc(II)","Acta Crystallographica Section E","2004","60","5","m701","m702","10.1107/S1600536804009833","","","0.71073","MoKα","","0.0673","0.0409","","","0.0865","0.0934","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203680","13.968","0.005","14.602","0.005","15.271","0.004","90","","118.24","0.02","90","","2744","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-Chlorophenyl)-2-p-tolyl-1,3,4-thiadiazole","","- C15 H11 Cl N2 S -","- C15 H11 Cl N2 S -","- C120 H88 Cl8 N16 S8 -","8","2","WN6242","Huang, Huaming; Yu, Haitao; Chen, Peili; Meng, Jiben","5-(2-Chlorophenyl)-2-<i>p</i>-tolyl-1,3,4-thiadiazole","Acta Crystallographica Section E","2004","60","5","o881","o883","10.1107/S1600536804009742","","","0.71073","MoKα","","0.1571","0.0576","","","0.1004","0.126","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203681","9.7345","0.0014","9.7893","0.0016","11.4276","0.0015","87.225","0.01","67.328","0.009","72.767","0.011","957","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexaaquamanganese bis[diazidobis(dimethylglyoximato)cobaltate] dihydrate","","- C16 H44 Co2 Mn N20 O16 -","- C16 H44 Co2 Mn N20 O16 -","- C16 H44 Co2 Mn N20 O16 -","1","0.5","WW6135","Liu, Xuanwen; Zhang, BaoFeng; Wang, Xiaoqing; Shen, Guangqiu; Wang, Ru-Ji; Shen, Dezhong","A new heterometallic complex: [Mn(H~2~O)~6~][Co(dmg)~2~(N~3~)~2~]~2~·2H~2~O, where dmg is dimethylglyoximate","Acta Crystallographica Section E","2004","60","5","m538","m540","10.1107/S1600536803029465","","","0.71073","MoKα","","0.0363","0.0313","","","0.0736","0.0771","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203682","7.145","0.003","8.915","0.004","9.375","0.004","71.896","0.006","80.025","0.007","85.109","0.007","558.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl F N O3 -","- C12 H9 Cl F N O3 -","- C24 H18 Cl2 F2 N2 O6 -","2","1","WW6161","Song, Jian; Xue, Fu-Hua; Lou, Ke-Xia","7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid","Acta Crystallographica Section E","2004","60","5","o824","o825","10.1107/S1600536804005926","","","0.71073","MoKα","","0.0531","0.0365","","","","0.1043","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203683","23.624","0.011","7.779","0.005","14.307","0.014","90","","90.72","0.06","90","","2629","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4-Amino-2-methylphenyl)-4-chlorophthalimide","","- C15 H11 Cl N2 O2 -","- C15 H11 Cl N2 O2 -","- C120 H88 Cl8 N16 O16 -","8","1","WW6172","Banthia, Sandip; Samanta, Anunay","<i>N</i>-(4-Amino-2-methylphenyl)-4-chlorophthalimide","Acta Crystallographica Section E","2004","60","5","o740","o741","10.1107/S1600536804007536","","","0.71073","MoKα","","0.1147","0.0534","","","0.1183","0.147","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203684","10.006","0.003","10.318","0.003","10.371","0.003","82.63","0.005","62.925","0.005","63.291","0.005","847.7","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4-(3,4-Dimethylphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole","","- C20 H17 N5 -","- C20 H17 N5 -","- C40 H34 N10 -","2","1","WW6178","Shao, Si-Chang; Liu, Hui-Jun; Zhang, Shu-Ping; Yang, Song; Hao, Fu-Ying; Li, Cheng-Peng; Zhu, Hai-Liang","4-(3,4-Dimethylphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole","Acta Crystallographica, Section E","2004","60","5","o722","o723","10.1107/S1600536804006002","","","0.71073","MoKα","","0.0963","0.0494","","","0.1137","0.1232","","","","","","0.998","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2203685","7.692","0.0008","12.94","0.001","13.229","0.001","68.958","0.003","75.775","0.004","79.76","0.006","1185.41","0.18","296.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cl2 F6 Ir N6 P -","- C20 H18 Cl2 F6 Ir N6 P -","- C40 H36 Cl4 F12 Ir2 N12 P2 -","2","1","WW6188","Yoshikawa, Naokazu; Sakamoto, Jun; Kanehisa, Nobuko; Kai, Yasushi; Takashima, Hiroshi; Tsukahara, Keiichi","<i>cis</i>-Dichlorobis(di-2-pyridylamine)iridium(III) hexafluorophosphate","Acta Crystallographica Section E","2004","60","5","m546","m547","10.1107/S1600536804007846","","","0.7107","MoKα","","","0.0558","","","","0.1279","","","","","","1.719","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203686","19.705","0.004","10.328","0.002","11.148","0.002","90","","97.95","0.03","90","","2247","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethanol(ethoxy)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato- κ^3^O,N,O']oxovanadium(V)","","- C20 H25 N2 O7 V -","- C20 H25 N2 O7 V -","- C80 H100 N8 O28 V4 -","4","1","WW6191","Huo, Li-Hua; Gao, Shan; Liu, Ji-Wei; Zhao, Hui; Ng, Seik Weng","Ethanol(ethoxy)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^<i>O,N,O</i>']oxovanadium(V)","Acta Crystallographica Section E","2004","60","5","m606","m608","10.1107/S1600536804008839","","","0.71073","MoKα","","0.1","0.06","","","0.132","0.148","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203687","9.339","0.002","9.793","0.002","12.251","0.003","79.21","0.03","86.28","0.03","69.76","0.03","1032.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bis[(μ~2~-salicylato-O,O,O')(salicylato-O,O')] tetraimidazole-dicadmium","Bis(μ-salicylato-κ^3^O,O':O')bis[(imidazole-κN^3^)(salicylato- κ^2^O,O')cadmium(II)]","","- C40 H36 Cd2 N8 O12 -","- C40 H36 Cd2 N8 O12 -","- C40 H36 Cd2 N8 O12 -","1","0.5","WW6193","Huo, Li-Hua; Gao, Shan; Gu, Chang-Sheng; Lu, Zhen-Zhong; Zhao, Hui; Zhao, Jing-Gui","Bis(μ-salicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>')bis[(imidazole-κ<i>N</i>^3^)(salicylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]","Acta Crystallographica Section E","2004","60","5","m596","m598","10.1107/S1600536804008700","","","0.71073","MoKα","","0.032","0.026","","","0.06","0.062","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203688","22.268","0.006","12.924","0.004","14.674","0.004","90","","123.375","0.004","90","","3526.6","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ-acetato-O:O')bis[(2-benzylidene-6,7-dihydro-5H-thiazolo[3,2-a] pyrimidin-3-one)cobalt(II)]","","- C34 H36 Co2 N4 O10 S2 -","- C34 H36 Co2 N4 O10 S2 -","- C136 H144 Co8 N16 O40 S8 -","4","0.5","YA6198","Wang, Dong-Hua; Li, Xun; Liu, Xin-Gang","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-benzylidene-6,7-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-3-one-κ<i>N</i>)cobalt(II)]","Acta Crystallographica Section E","2004","60","5","m703","m704","10.1107/S1600536804010049","","","0.71073","MoKα","","0.052","0.033","","","","0.194","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203689","24.947","0.005","11.5988","0.0017","15.284","0.003","90","","118.576","0.003","90","","3883.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[bis(2-pyridyl)methanediol-κ^3^N,N',O]copper(II) bis(adamantane-1-carboxylate)","","- C44 H50 Cu N4 O8 -","- C44 H50 Cu N4 O8 -","- C176 H200 Cu4 N16 O32 -","4","0.5","YA6199","Tong, Ming-Liang; Zhou, Ai-Ju; Hu, Sheng","Bis[bis(2-pyridyl)methanediol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II) bis(adamantane-1-carboxylate)","Acta Crystallographica Section E","2004","60","5","m657","m658","10.1107/S1600536804009237","","","0.71073","MoKα","","0.055","0.043","","","0.104","0.112","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203690","8.2766","0.0012","8.2766","0.0012","23.648","0.004","90","","90","","90","","1619.9","0.4","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","Bis(2-formylpyridine semicabazonato)nickel(II)","","- C14 H14 N8 Ni O2 -","- C14 H14 N8 Ni O2 -","- C56 H56 N32 Ni4 O8 -","4","1","YA6201","Jian Zhou; Zhen-Feng Chen; Xian-Wen Wang; Yan-Shu Tan; Hong Liang; Yong Zhang","Bis(2-formylpyridine semicabazonato)nickel(II)","Acta Crystallographica Section E","2004","60","5","m568","m570","10.1107/S1600536804008207","","","0.7107","MoKα","","0.027","0.026","","","0.055","0.056","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203691","10.0014","0.0011","14.4188","0.0004","8.8212","0.001","90","","104.413","0.009","90","","1232.1","0.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-acetylphenyliminomethyl)-1,2-dihydroxybenzene","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","YA6202","Yüce, Süheyla; Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","3-(4-Acetylphenyliminomethyl)-1,2-dihydroxybenzene","Acta Crystallographica Section E","2004","60","5","o810","o812","10.1107/S1600536804008633","","","0.71073","MoKα","","0.059","0.035","","","0.079","0.086","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203692","15.292","0.002","7.7844","0.0011","14.306","0.002","90","","117.311","0.002","90","","1513.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichlorobis(2-chloromethylpyridine)copper(II)","","- C12 H12 Cl4 Cu N2 -","- C12 H12 Cl4 Cu N2 -","- C48 H48 Cl16 Cu4 N8 -","4","0.5","YA6203","Jian Zhang; Yao Kang; Yi-Hang Wen; Zhao-Ji Li; Ye-Yan Qin; Yuan-Gen Yao","Dichlorobis[2-(chloromethyl)pyridine]copper(II)","Acta Crystallographica Section E","2004","60","5","m599","m600","10.1107/S1600536804008645","","","0.71073","MoKα","","","0.038","","","0.101","0.11","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203693","12.377","0.003","12.377","0.003","18.296","0.001","90","","90","","90","","2802.8","1","220","2","220","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H34 N2 O4 S5 -","- C24 H34 N2 O4 S5 -","- C96 H136 N8 O16 S20 -","4","0.5","YA6205","Blake, Alexander J.; Lippolis, Vito; Schröder, Martin","10,13-Bis(<i>p</i>-tolylsulfonyl)-1,4,7-trithia-10,13-diazacyclopentadecane","Acta Crystallographica Section E","2004","60","5","o901","o903","10.1107/S1600536804009201","","","0.71073","MoKα","","0.129","0.07","","","0.117","0.149","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203694","30.989","0.004","30.989","0.004","6.5","0.001","90","","90","","120","","5405.8","1.3","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","paracumylphenol","4-(2-phenylisopropyl)phenol","","- C15 H16 O -","- C15 H16 O -","- C270 H288 O18 -","18","1","AC6084","Abdelhak, Ettahiri; Mostafa, Abboudi; Merle, Daphne; Perrin, Monique; Thozet, Alain","4-(2-Phenylisopropyl)phenol","Acta Crystallographica Section E","2004","60","6","o954","o955","10.1107/S1600536804010621","","","0.71069","MoKα","","0.0872","0.0493","","","0.1096","0.1285","","","","","","0.942","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203695","11.2069","0.0017","12.703","0.002","20.75","0.003","90","","101.003","0.002","90","","2899.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N4 O4 -","- C33 H24 N4 O4 -","- C132 H96 N16 O16 -","4","1","AC6091","Wei Xu; Yin-Xiang Lu; Chun-Ming Liu; Peng Guo; Bi-Jian Lan; Hui Zhou","Tetrakis[(4-cyanophenoxy)methyl]methane","Acta Crystallographica Section E","2004","60","6","o1049","o1050","10.1107/S160053680401027X","","","0.71073","MoKα","","0.1004","0.0617","","","0.1275","0.1452","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203696","12.8923","0.0012","7.4816","0.0005","16.2916","0.0018","90","","116.331","0.007","90","","1408.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3,5-Dimethylphenoxy)phthalonitrile","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","AC6096","Yavuz Köysal; Şamil Işık; Nesuhi Akdemir; Erbil Aǧar; Cihan Kantar","4-(3,5-Dimethoxyphenoxy)phthalonitrile","Acta Crystallographica Section E","2004","60","6","o930","o931","10.1107/S1600536804010311","","","0.71073","MoKα","","0.0638","0.0382","","","0.1036","0.1107","","","","","","0.969","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203697","9.3894","0.0008","10.8881","0.0011","11.6658","0.0012","67.191","0.007","83.696","0.008","67.04","0.007","1011.07","0.19","293","","293","","","","","","","","","4","P -1","-P 1","2","","[1-methyl-3-(2-phenylethyl)benzimidazolinio](phenylimino)methanethiolate","","- C23 H21 N3 S -","- C23 H21 N3 S -","- C46 H42 N6 S2 -","2","1","AC6097","Sema Öztürk; Mehmet Akkurt; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","Mercapto-<i>N</i>-phenylformimidoyl-1-methyl-3-(2-phenylethyl)benzimidazolinium inner salt","Acta Crystallographica Section E","2004","60","6","o936","o938","10.1107/S160053680401013X","","","0.71073","MoKα","","0.0703","0.0394","","","0.0941","0.1035","","","","","","0.942","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203698","6.654","0.001","9.444","0.002","13.182","0.003","90","","90","","90","","828.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O3 -","- C7 H13 N O3 -","- C28 H52 N4 O12 -","4","1","AC6099","Qing-An Wu; Zhen-Yuan Xu","<i>N</i>-Acetyl-<small>L</small>-valine","Acta Crystallographica Section E","2004","60","6","o949","o950","10.1107/S1600536804010505","","","0.71073","MoKα","","0.0458","0.0337","","","0.0693","0.0716","","","","","","0.911","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203699","8.204","0.0009","8.85","0.001","9.667","0.001","70.868","0.001","79.068","0.002","73.184","0.002","631.25","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4,4'-bipyridine N,N'-dioxide-κO)bis(dicyanamido)cadmium(II)","","- C24 H20 Cd N10 O6 -","- C24 H20 Cd N10 O6 -","- C24 H20 Cd N10 O6 -","1","0.5","AC6100","Xu, Yanqing; Yuan, Daqiang; Xu, Ying; Bi, Wenhua; Zhou, Youfu; Hong, Maochun","Diaquabis(4,4'-bipyridine <i>N,N</i>'-dioxide-κ<i>O</i>)bis(dicyanamido)cadmium(II)","Acta Crystallographica Section E","2004","60","6","m713","m714","10.1107/S1600536804010281","","","0.71073","MoKα","","","0.0335","","","0.0789","0.0817","","","","","","1.124","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203700","9.2099","0.0003","9.3828","0.0002","13.2522","0.0004","77.392","0.002","88.719","0.002","66.761","0.002","1024.3","0.05","123","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 N2 Ni O2 S2 -","- C21 H24 N2 Ni O2 S2 -","- C42 H48 N4 Ni2 O4 S4 -","2","1","AC6101","Taylor, Michelle K.; Reglinski, John; Wallace, Dawn","[<i>N,N</i>'-Bis-(<i>o</i>-sulfidobenzylidene)-1,3-diaminopropane]nickel(II) 1,4-dioxane solvate","Acta Crystallographica Section E","2004","60","6","m850","m851","10.1107/S1600536804011882","","","0.71073","MoKα","","","0.0294","","","","0.0573","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203701","7.777","0.002","8.993","0.002","11.389","0.002","71.25","0.03","86.18","0.03","86.88","0.03","752.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua[2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^N,N',O]copper(II) nitrate monohydrate","","- C13 H15 Cu N3 O6 -","- C13 H15 Cu N3 O6 -","- C26 H30 Cu2 N6 O12 -","2","1","AC6102","You, Zhong-Lu; Chen, Bo; Zhu, Hai-Liang; Liu, Wei-Sheng","Aqua[2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II) nitrate monohydrate","Acta Crystallographica Section E","2004","60","6","m884","m886","10.1107/S160053680401284X","","","0.71073","MoKα","","0.055","0.0506","","","0.1214","0.1244","","","","","","1.178","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203702","6.444","0.002","22.946","0.005","11.961","0.002","90","","102.02","0.03","90","","1729.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Bis{2-[3-(Cyclohexylamino)propyliminomethyl]phenolato}nickel(II) dinitrate","","- C32 H48 N6 Ni O8 -","- C32 H48 N6 Ni O8 -","- C64 H96 N12 Ni2 O16 -","2","0.5","AC6103","You, Zhong-Lu; Lin, Yong-Shan; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>trans</i>-Bis{2-[3-(cyclohexylamino)propyliminomethyl]phenolato}nickel(II) dinitrate","Acta Crystallographica Section E","2004","60","6","m887","m889","10.1107/S1600536804012851","","","0.71073","MoKα","","0.1186","0.0632","","","0.1264","0.1483","","","","","","0.952","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203703","14.03","0.002","13.773","0.002","7.009","0.002","90","","114.71","0.02","90","","1230.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tripotassium dibismuth (III) arsenate (V)","","- As3 Bi2 K3 O12 -","- As3 Bi2 K3 O12 -","- As12 Bi8 K12 O48 -","4","0.5","BR6141","Falah, Chiraz; Boughzala, Habib; Jouini, Tahar","Tripotassium dibismuth(III) tris[arsenate(V)], K~3~Bi~2~(AsO~4~)~3~","Acta Crystallographica, Section E","2004","60","6","i74","i76","10.1107/S1600536804011353","","","0.71073","MoKα","","0.0392","0.0261","","","0.0479","0.0512","","","","","","1.077","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203704","10.0974","0.0003","8.8974","0.0004","20.2619","0.001","90","","99.997","0.002","90","","1792.7","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(phenanthroline)zinc(II)]-μ-cyclohexanedicarboxylato]","","- C20 H20 N2 O5 Zn -","- C20 H20 N2 O5 Zn -","- C80 H80 N8 O20 Zn4 -","4","1","BR6147","Bi, Wenhua; Sun, Daofeng; Cao, Rong; Wang, Yanqin","<i>catena</i>-Poly[[aqua(phenanthroline)zinc(II)]-μ-cyclohexanedicarboxylato]","Acta Crystallographica Section E","2004","60","6","m711","m712","10.1107/S1600536804009444","","","0.71073","MoKα","","","0.0557","","","0.1143","0.1414","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203705","25.647","0.002","10.0538","0.0009","21.0859","0.0018","90","","111.933","0.002","90","","5043.5","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4'-(4-Methoxybenzoyl)-1'-methyl-acenaphthene-1-spiro-2'-pyrrolidine- 3'-spiro-3''-1H-indole-2,2''(1H,3''H)-dione hemihydrate","","- C31 H25 N2 O4.5 -","- C31 H25 N2 O4.5 -","- C248 H200 N16 O36 -","8","1","BT6440","M. M. Govind; S. Selvanayagam; D. Velmurugan; K. Ravikumar; A. R. Sureshbabu; R. Raghunathan","4'-(4-Methoxybenzoyl)-1'-methyl acenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-3''-1<i>H</i>-indole-2,2''(1<i>H</i>,3''<i>H</i>)-dione hemihydrate","Acta Crystallographica Section E","2004","60","6","o1003","o1005","10.1107/S1600536804010736","","","0.71073","MoKα","","0.1468","0.0835","","","0.1888","0.2189","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203706","7.531","0.003","11.787","0.004","19.786","0.006","90","","90","","90","","1756.4","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methoxy[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato(2-)-κ^3^O,O',N]oxovanadium(V)","","- C17 H17 N2 O6 V -","- C17 H17 N2 O6 V -","- C68 H68 N8 O24 V4 -","4","1","BT6444","Huo, Li-Hua; Gao, Shan; Liu, Ji-Wei; Li, Jing; Ng, Seik Weng","Methoxy[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato(2‒)-κ^3^<i>O</i>,<i>O</i>',<i>N</i>]oxovanadium(V)","Acta Crystallographica Section E","2004","60","6","m758","m760","10.1107/S1600536804010323","","","0.71073","MoKα","","0.04","0.036","","","0.09","0.093","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203707","8.9005","0.0013","15.1033","0.0019","12.1253","0.0015","90","","92.632","0.011","90","","1628.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 O -","- C21 H14 N2 O -","- C84 H56 N8 O4 -","4","1","BT6449","Petek, Hande; Akdemir, Nesuhi; Aǧar, Erbil; Özil, Musa; Şenel, İsmet","4-Diphenylmethoxyphthalonitrile","Acta Crystallographica Section E","2004","60","6","o1105","o1106","10.1107/S1600536804009596","","","0.71073","MoKα","","0.1142","0.0427","","","0.0772","0.0949","","","","","","0.826","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203708","14.4631","0.0008","10.1438","0.0006","24.393","0.001","90","","94.564","0.001","90","","3567.4","0.3","298","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloro[pyrimidine-2(1H)-thione-κS]bis(triphenylphosphine-κP)copper(I)","","- C40 H34 Cl Cu N2 P2 S -","- C40 H34 Cl Cu N2 P2 S -","- C160 H136 Cl4 Cu4 N8 P8 S4 -","4","1","BT6455","Li, Dan; Shi, Wen-Juan; Wu, Tao; Ng, Seik Weng","Chloro[pyrimidine-2(1<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphine-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2004","60","6","m776","m777","10.1107/S1600536804011262","","","0.71073","MoKα","","0.059","0.043","","","0.101","0.113","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203709","11.781","0.003","8.994","0.002","12.988","0.003","90","","113.91","0.02","90","","1258.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","not relevant","4-phenylpyridinium hydrogensquarate","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","BT6456","T. Kolev; R. Wortmann; M. Spiteller; W.S. Sheldrick; M. Heller","4-Phenylpyridinium hydrogensquarate","Acta Crystallographica Section E","2004","60","6","o956","o957","10.1107/S1600536804010487","","","0.71073","MoKα","","0.0792","0.0425","","","0.0883","0.0998","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203710","21.319","0.004","11.997","0.002","38.3","0.006","90","","100.632","0.003","90","","9628","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,2-bis(4-pyridyl)ethylenium trismalonatochromate(3-) octahydrate","1,2-bis(4-pyridyl)ethylenium tris(malonato-κ^2^O,O') chromate(III)-water (1/8)","","- C45 H55 Cr N6 O20 -","- C45 H55 Cr N6 O20 -","- C360 H440 Cr8 N48 O160 -","8","1","BT6457","Ghosh, Dipesh; Powell, Doug R.; Van Horn, J. David","The tris(malonato)chromate(III) anion with an organic cation","Acta Crystallographica Section E","2004","60","6","m764","m766","10.1107/S1600536804010748","","","0.71073","MoKα","","0.0753","0.0672","","","0.1728","0.1791","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203711","6.0399","0.0001","9.7642","0.0002","14.682","0.0004","90","","90","","90","","865.87","0.03","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Alanyl-L-threonine","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C28 H56 N8 O16 -","4","1","BT6458","Netland, Kjetil Andreas; Andresen, Kim; Görbitz, Carl Henrik; Dalhus, Bjørn","<small>L</small>-Alanyl-<small>L</small>-threonine","Acta Crystallographica Section E","2004","60","6","o951","o953","10.1107/S1600536804010578","","","0.71073","MoKα","","0.0284","0.0272","","","0.074","0.0753","","","","","","1.142","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203712","15.749","0.009","15.749","0.007","3.9","0.002","90","","90","","90","","967.3","0.9","293","2","293","2","","","","","","","","4","P 42","P 4c","77","tmeonitb","2,4,5-trimethoxy-1-nitrobenzene","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","BT6459","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","2,4,5-Trimethoxy-1-nitrobenzene: a structure in the rare space group <i>P</i>4~2~","Acta Crystallographica Section E","2004","60","6","o1031","o1033","10.1107/S1600536804011651","","","0.71073","MoKα","","0.1188","0.0404","","","0.0976","0.1182","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203713","4.7413","0.0017","9.595","0.005","15.069","0.007","90","","90","","90","","685.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4-Oxo-1,4-dihydropyridin-1-yl)acetic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","BT6460","Shan Gao; Zhu-Yan Zhang; Li-Hua Huo; Jing-Gui Zhao; Zain, Sharifuddin M.; Ng, Seik Weng","(4-Oxo-1,4-dihydropyridin-1-yl)acetic acid","Acta Crystallographica Section E","2004","60","6","o1006","o1008","10.1107/S1600536804011110","","","0.71073","MoKα","","0.05","0.044","","","0.123","0.146","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203714","8.94","0.001","6.768","0.001","15.028","0.002","90","","90","","90","","909.3","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate","","- C7 H9 N3 O4 -","- C7 H9 N3 O4 -","- C28 H36 N12 O16 -","4","0.5","BT6461","Wu, Hai-Qiang; An, Lin-Kun; Huang, Zhi-Shu; Gu, Lian-Quan; Zain, Sharifuddin M.; Ng, Seik Weng","Ethyl 3-methyl-5-nitro-1<i>H</i>-imidazole-2-carboxylate","Acta Crystallographica Section E","2004","60","6","o994","o995","10.1107/S1600536804011080","","","0.71073","MoKα","","0.042","0.038","","","0.115","0.124","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203715","10.025","0.003","7.335","0.003","9.845","0.003","90","","108.05","0.02","90","","688.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","7-iodo-8-hydroxquinoline-5-sulfonic acid‒urea‒water (1/1/1)","","","- C10 H12 I N3 O6 S -","- C10 H12 I N3 O6 S -","- C20 H24 I2 N6 O12 S2 -","2","0.5","BT6462","Graham Smith; Urs D. Wermuth; Peter C. Healy","The 1/1/1 adduct hydrate of 8-hydroxy-7-iodoquinoline-5-sulfonic acid (ferron) with urea","Acta Crystallographica Section E","2004","60","6","o1040","o1042","10.1107/S1600536804011274","","","0.71069","MoKα","","0.0286","0.0274","","","0.0849","0.0868","","","","","","0.891","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203716","10.178","0.003","13.653","0.003","7.438","0.002","90","","131.061","0.018","90","","779.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[mercury(II)-di-μ-bromo-μ-pyridazine-κ^2^N:N']","","- C4 H4 Br2 Hg N2 -","- C4 H4 Br2 Hg N2 -","- C16 H16 Br8 Hg4 N8 -","4","0.5","CF6341","Nockemann, Peter; Meyer, Gerd","<i>catena</i>-Poly[mercury(II)-di-μ-bromo-μ-pyridazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","6","m753","m754","10.1107/S1600536804010402","","","0.71073","MoKα","","0.0729","0.0662","","","0.1569","0.1647","","","","","","0.977","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203717","7.458","0.002","7.1667","0.0016","13.136","0.004","90","","90","","90","","702.1","0.3","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","catena-Poly[mercury(II)-di-μ-chloro-μ-pyridazine-κ^2^N:N']","","- C4 H4 Cl2 Hg N2 -","- C4 H4 Cl2 Hg N2 -","- C16 H16 Cl8 Hg4 N8 -","4","0.25","CF6342","Nockemann, Peter; Meyer, Gerd","<i>catena</i>-Poly[mercury(II)-di-μ-chloro-μ-pyridazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","6","m751","m752","10.1107/S1600536804010414","","","0.71073","MoKα","","0.0479","0.0217","","","0.0268","0.03","","","","","","0.967","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203718","11.5603","0.001","8.3073","0.0019","12.9906","0.0016","90","","90","","90","","1247.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[[dibromomercury(II)]-di-μ-pyrazine-k^4^N:N']","","- C8 H8 Br2 Hg N4 -","- C8 H8 Br2 Hg N4 -","- C32 H32 Br8 Hg4 N16 -","4","0.5","CF6343","Nockemann, Peter; Meyer, Gerd","Poly[[dibromomercury(II)]-di-μ-pyrazine-κ^4^<i>N:N</i>']","Acta Crystallographica Section E","2004","60","6","m747","m748","10.1107/S1600536804010438","","","0.71073","MoKα","","0.0486","0.0231","","","0.0342","0.0376","","","","","","0.849","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203719","11.897","0.0017","7.783","0.003","3.84","0.007","90","","90.99","0.06","90","","355.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Poly[di-μ-chloro-μ-pyrazine-κ^2^N:N'-mercury(II)]","","- C4 H4 Cl2 Hg N2 -","- C4 H4 Cl2 Hg N2 -","- C8 H8 Cl4 Hg2 N4 -","2","0.25","CF6344","Nockemann, Peter; Meyer, Gerd","Poly[mercury(II)-di-μ-chloro-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","6","m744","m746","10.1107/S160053680401044X","","","0.71073","MoKα","","0.0228","0.0228","","","0.051","0.051","","","","","","1.094","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203720","7.107","0.002","7.114","0.003","8.436","0.003","95.72","0.03","109.3","0.02","113.14","0.02","357","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ-Pyrazine-κ^2^N:N'-bis[diiodomercury(II)]","","- C4 H4 Hg2 I4 N2 -","- C4 H4 Hg2 I4 N2 -","- C4 H4 Hg2 I4 N2 -","1","0.5","CF6345","Nockemann, Peter; Meyer, Gerd","μ-Pyrazine-κ^2^<i>N</i>:<i>N</i>'-bis[diiodomercury(II)]","Acta Crystallographica Section E","2004","60","6","m749","m750","10.1107/S1600536804010426","","","0.71073","MoKα","","0.076","0.0591","","","0.1622","0.1713","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203721","5.9465","0.0001","17.7167","0.0003","11.8918","0.0002","90","","90.037","0.001","90","","1252.83","0.04","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aS,5aR,10aS,11aR)-2,2-Dimethyl-3a,9,10,10a,11,11a-hexahydro- 5aH-1,3-dioxolo[4,5:3',4']furo[2',3'-f]indolizin-8(4H)-one","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","2","CF6347","Vrábel, Viktor; Kožíšek, Jozef; Langer, Vratislav; Marchalín, Štefan; Bobošíková, Maria","(3a<i>S</i>,5a<i>R</i>,10a<i>S</i>,11a<i>R</i>)-2,2-Dimethyl-3a,9,10,10a,11,11a-hexahydro-5a<i>H</i>-1,3-dioxolo[4,5:3',4']furo[2',3'-<i>f</i>]indolizin-8(4<i>H</i>)-one","Acta Crystallographica Section E","2004","60","6","o1069","o1071","10.1107/S1600536804012139","","","0.71073","MoKα","","0.0431","0.0354","","","0.0784","0.0822","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203722","7.487","0.001","16.444","0.001","15.748","0.001","90","","100.21","0.01","90","","1908.1","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O7.5 -","- C19 H11 N O7.5 -","- C76 H44 N4 O30 -","4","1","CF6352","Móczár, Ildikó; Huszthy, Péter; Báthori, Nikoletta; Czugler, Mátyás","A 2:1:1 2-(2-carboxyphenylamino)isophthalic acid‒ethyl acetate‒butan-2-one inclusion complex","Acta Crystallographica Section E","2004","60","6","o1067","o1068","10.1107/S1600536804012401","","","1.5418","CuKα","","0.0567","0.0521","","","0.163","0.1674","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2203723","7.7376","0.0002","13.5917","0.0004","22.3338","0.0008","90","","90","","90","","2348.78","0.12","295","2","295","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H18 Cl2 Mn N4 O3 -","- C24 H12 Cl2 Mn N4 O3 -","- C96 H48 Cl8 Mn4 N16 O12 -","4","0.5","CI6359","Zhi-Yong Wu; Duan-Jun Xu","<i>cis</i>-Dichlorobis(4,5-diazafluoren-9-one-κ^2^<i>N,N</i>')manganese(II) ethanol solvate","Acta Crystallographica Section E","2004","60","6","m839","m841","10.1107/S1600536804011870","","","0.71073","MoKα","","0.0375","0.0304","","","0.0719","0.0733","","","","","","0.986","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203724","9.705","0.0006","8.529","0.0004","16.312","0.001","90","","95.275","0.003","90","","1344.49","0.13","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","CI6360","Kauffmann, Brice; Didierjean, Claude; Brosse, Nicolas; Jamart-Grégoire, Brigitte; Aubry, Andre","<i>N</i>-(<i>tert</i>-Butyloxycarbonylamino)phthalimide","Acta Crystallographica Section E","2004","60","6","o934","o935","10.1107/S1600536804010098","","","0.71073","MoKα","","","0.0461","","","","0.1291","","","","","","1.035","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203725","12.291","0.001","8.294","0.001","12.273","0.001","90","","90","","90","","1251.1","0.2","287","2","287","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 F O -","- C15 H17 F O -","- C60 H68 F4 O4 -","4","1","CI6365","Shen-Lin Huang; Yu-Lin Zhu; Yuan-Jiang Pan","(<i>E</i>)-2-(2-Fluorobenzylidene)cyclooctanone","Acta Crystallographica Section E","2004","60","6","o1000","o1002","10.1107/S1600536804011079","","","0.71073","MoKα","","0.042","0.0315","","","0.0706","0.0731","","","","","","0.936","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203726","5.3014","0.0019","10.502","0.004","21.102","0.007","90","","95.591","0.005","90","","1169.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-Chlorobenzyl)-2-thioxoperhydropyrimidin-4-one","","- C11 H11 Cl N2 O S -","- C11 H11 Cl N2 O S -","- C44 H44 Cl4 N8 O4 S4 -","4","1","CI6372","Chang-Sheng Yao; Hai-Bin Song; You-Quan Zhu; Ying Gao; Fang-Zhong Hu; Xiao-Mao Zou; Hua-Zheng Yang","3-(2-Chlorobenzyl)-2-thioxoperhydropyrimidin-4-one","Acta Crystallographica Section E","2004","60","6","o943","o945","10.1107/S1600536804010347","","","0.71073","MoKα","","0.0548","0.0405","","","0.0957","0.1028","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203727","9.727","0.003","12.77","0.004","15.947","0.006","90","","100.332","0.006","90","","1948.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-5,5'-[(2-Butene-1,4-diyl)dithio]bis(1-phenyl-1,2,3,4-tetrazole)","","- C18 H16 N8 S2 -","- C18 H16 N8 S2 -","- C72 H64 N32 S8 -","4","1","CI6373","Wang, Wei; Liu, Hui-Min; Zhang, Wen-Qin","<i>trans</i>-5,5'-[(2-Butene-1,4-diyl)dithio]bis(1-phenyl-1,2,3,4-tetrazole)","Acta Crystallographica Section E","2004","60","6","o1107","o1109","10.1107/S1600536804011638","","","0.71073","MoKα","","0.0814","0.0406","","","0.0834","0.0974","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203728","10.422","0.004","13.881","0.005","17.591","0.006","90","","90","","90","","2544.9","1.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O -","- C30 H46 O -","- C120 H184 O4 -","4","1","CI6374","Shamaladevi Nagaraja Rao; Saradha Vasanth; Vasantha Pattabhi","Lup-1,20(29)-dien-3-one, a triterpenoid from <i>Agyneia bacciformis</i> A. Juss","Acta Crystallographica Section E","2004","60","6","o1092","o1093","10.1107/S160053680401236X","","","0.71073","MoKα","","0.0787","0.0606","","","0.1422","0.1523","","","","","","1.043","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2203729","9.255","0.004","10.161","0.004","16.188","0.005","90","","90","","90","","1522.3","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Anilinium nitrate","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C48 H64 N16 O24 -","8","1","CI6376","Rademeyer, Melanie","Anilinium nitrate","Acta Crystallographica Section E","2004","60","6","o958","o960","10.1107/S1600536804010827","","","0.71073","MoKα","","0.1342","0.055","","","0.1319","0.1716","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203730","5.7482","0.0012","7.648","0.0016","8.2817","0.0015","95.413","0.016","105.265","0.015","95.206","0.017","347.13","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C18 H18 O2 -","1","0.5","CI6379","Ton, Quoc Cuong; Bolte, Michael","A triclinic polymorph of 1,4-dibenzoylbutane","Acta Crystallographica Section E","2004","60","6","o1019","o1020","10.1107/S1600536804011390","","","0.71073","MoKα","","0.0466","0.0359","","","0.0939","0.0958","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203731","12.82","0.05","6.96","0.02","21.49","0.07","90","","106.51","0.06","90","","1838","11","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Aqua[N,N'-bis(2-oxidophenylmethyleneimino)-1,3- diaminopropane](thiocyanato)iron(III)","aqua{2,2'-[propane-1,3- diylbis(nitrilomethylidene)]diphenolato}(thiocyanato)iron(III))","","- C18 H18 Fe N3 O3 S -","- C18 H18 Fe N3 O3 S -","- C72 H72 Fe4 N12 O12 S4 -","4","1","CI6380","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","Aqua[<i>N</i>,<i>N</i>'-bis(2-oxidophenylmethyleneimino)-1,3-diaminopropane](thiocyanato)iron(III)","Acta Crystallographica Section E","2004","60","6","m794","m796","10.1107/S1600536804011407","","","0.71073","MoKα","","0.141","0.0581","","","0.1124","0.1372","","","","","","0.847","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203732","10.508","0.003","12.998","0.004","15.266","0.005","90","","104.201","0.004","90","","2021.4","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(salicylidene)-1,3-propanediaminato](thiocyanato)(methanol)nickel(II)","","- C19 H21 N3 Ni O3 S -","- C19 H21 N3 Ni O3 S -","- C76 H84 N12 Ni4 O12 S4 -","4","1","CI6382","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","[<i>N,N</i>'-Bis(salicylidene)-1,3-propanediaminato](methanol)(thiocyanato)nickel(II)","Acta Crystallographica Section E","2004","60","6","m805","m807","10.1107/S1600536804011791","","","0.71073","MoKα","","0.0525","0.0363","","","0.0993","0.1067","","","","","","1.013","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203733","11.817","0.003","13.762","0.006","6.873","0.002","90","","101.15","0.03","90","","1096.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-{(Z)-Ethane-1,2-diylbis[(Z)-o-phenylenenitrilomethylidyne]}diphenol","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","0.5","CI6383","S. M. Malathy Sony; P. Charles; M. N. Ponnuswamy; H. S. Yathirajan","2,2'-{(<i>Z</i>)-Ethane-1,2-diylbis[(<i>Z</i>)-<i>o</i>-phenylenenitrilomethylidyne]}diphenol (EIEP)","Acta Crystallographica Section E","2004","60","6","o1078","o1080","10.1107/S1600536804012073","","","0.71073","MoKα","","0.1545","0.0572","","","0.1504","0.1991","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203734","7.677","0.003","9.228","0.003","12.271","0.004","81.745","0.005","73.352","0.005","73.583","0.005","797.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-methyl-1-(3-methylbenzoyl)-5-(methylsulfanyl)-1H-pyrazole-4-carboxylate","","- C16 H18 N2 O3 S -","- C16 H18 N2 O3 S -","- C32 H36 N4 O6 S2 -","2","1","CI6384","Li-Rong Wen; Gui-Long Zhao; Ming Li; Xue-Mei Li; Shu-Sheng Zhang; Ping-Kai Ouyang","Ethyl 3-methyl-1-(3-methylbenzoyl)-5-(methylsulfanyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2004","60","6","o1026","o1028","10.1107/S1600536804011596","","","0.71073","MoKα","","0.0583","0.0428","","","0.0992","0.1089","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203735","17.667","0.004","8.14","0.002","12.992","0.003","90","","99.21","0.03","90","","1844.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(2-hydroxynaphthalmethenylimino)-1,2-ethanediaminato]cobalt(II)","","- C24 H18 Co N2 O2 -","- C24 H18 Co N2 O2 -","- C96 H72 Co4 N8 O8 -","4","1","CI6385","Ma, Ji-Long; You, Zhong-Lu; Zhu, Hai-Liang","[<i>N,N</i>'-Bis(2-hydroxynaphthylmethenylimino)-1,2-ethanediaminato]cobalt(II)","Acta Crystallographica Section E","2004","60","6","m817","m818","10.1107/S160053680401195X","","","0.71073","MoKα","","0.0813","0.0617","","","0.1243","0.1336","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203736","9.614","0.002","15.27","0.004","22.838","0.005","90","","90","","90","","3352.8","1.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2,2'-Dimethoxy-3,3'-bis{[(1S)-1-phenylethyl]iminomethyl}-1,1'- binaphthalene","","- C40 H36 N2 O2 -","- C40 H36 N2 O2 -","- C160 H144 N8 O8 -","4","1","CV6288","Li, Xingshu; Jia, Xian; Su, Liming; Zhou, Zhongyuan","(<i>R</i>)-2,2'-Dimethoxy-3,3'-bis{[(1<i>S</i>)-1-phenylethyl]iminomethyl}-1,1'-binaphthalene, a new chiral Schiff base","Acta Crystallographica Section E","2004","60","6","o998","o999","10.1107/S1600536804010931","","","0.71073","MoKα","","0.1567","0.0492","","","0.099","0.1182","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203737","13.086","0.002","11.043","0.002","13.729","0.002","90","","92.11","0.02","90","","1982.6","0.6","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzyl-3-(ferrocenylmethyl)imidazolium iodide","","- C21 H21 Fe I N2 -","- C21 H21 Fe I N2 -","- C84 H84 Fe4 I4 N8 -","4","1","CV6308","Hui Hua; Guo-Sheng Huang; Yong-Min Liang; Xiao-Li Wu; Yong-Xiang Ma; Bao-Hua Chen","1-Benzyl-3-(ferrocenylmethyl)imidazolium iodide","Acta Crystallographica Section E","2004","60","6","m761","m763","10.1107/S1600536804011006","","","0.71073","MoKα","","0.0409","0.0292","","","0.0654","0.0677","","","","","","0.93","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203738","8.576","0.0009","14.9072","0.0009","12.0912","0.0005","90","","92.146","0.007","90","","1544.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-{[(Dimethoxythiophosphoryl)methylhydrazono]methyl}-4H-1-benzopyran-4-one","","- C13 H15 N2 O4 P S -","- C13 H15 N2 O4 P S -","- C52 H60 N8 O16 P4 S4 -","4","1","CV6309","Rybarczyk-Pirek, Agnieszka J.; Nawrot-Modranka, Jolanta","(<i>E</i>)-3-{[(Dimethoxythiophosphoryl)methylhydrazono]methyl}-4<i>H</i>-1-benzopyran-4-one, a new chromone derivative substituted with phosphorohydrazide at position 3","Acta Crystallographica Section E","2004","60","6","o988","o990","10.1107/S1600536804010943","","","1.54178","CuKα","","0.1403","0.0471","","","0.1112","0.1273","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203739","23.1233","0.0017","12.7597","0.0009","15.2076","0.0011","90","","116.032","0.001","90","","4031.7","0.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 1-(7-acetoxy-4-methyl-2-oxo-2H-chromen-8-ylmethyl)-1H-pyrazole- 3,4-dicarboxylate","","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","- C160 H144 N16 O64 -","8","1","CV6310","Thamotharan, S.; Parthasarathi, V.; Shinge, Prashant S.; Badami, Bharati; Ravikumar, K.","Dimethyl 1-(7-acetoxy-4-methyl-2-oxo-2<i>H</i>-chromen-8-ylmethyl)-1<i>H</i>-pyrazole-3,4-dicarboxylate","Acta Crystallographica Section E","2004","60","6","o961","o963","10.1107/S1600536804010955","","","0.71073","MoKα","","0.0734","0.0495","","","0.132","0.148","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203740","6.8548","0.0014","12.042","0.002","22.762","0.005","90","","90","","90","","1878.9","0.6","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","3-(4-Chlorophenyl)-5-methyl-3H-1,3,4-oxadiazole-2-one","","- C9 H7 Cl N2 O2 -","- C9 H7 Cl N2 O2 -","- C72 H56 Cl8 N16 O16 -","8","1","CV6311","Thamotharan, S.; Parthasarathi, V.; Kalaivani, P.; Mallur, Shanta G.; Badami, Bharati; Schenk, Kurt J.","3-(4-Chlorophenyl)-5-methyl-3<i>H</i>-1,3,4-oxadiazol-2-one","Acta Crystallographica Section E","2004","60","6","o964","o965","10.1107/S1600536804010967","","","0.71073","MoKα","","0.0639","0.0583","","","0.1638","0.1676","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203741","7.7954","0.0008","8.3922","0.0008","16.9225","0.0017","79.057","0.002","84.267","0.002","65.049","0.002","985.26","0.17","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","N-(4-Acetylphenyl)-N'-[(4-sydnone-3-yl)phenyl]urea dimethylformamide solvate","","- C20 H21 N5 O5 -","- C20 H21 N5 O5 -","- C40 H42 N10 O10 -","2","1","CV6313","Thamotharan, S.; Parthasarathi, V.; Sathishkumar, P.; Latthe, Prashant R.; Badami, Bharati; Ravikumar, K.","<i>N</i>-(4-Acetylphenyl)-<i>N</i>'-[(4-sydnon-3-yl)phenyl]urea dimethylformamide solvate","Acta Crystallographica Section E","2004","60","6","o1015","o1016","10.1107/S160053680401116X","","","0.71073","MoKα","","0.0561","0.0432","","","0.1069","0.1155","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203742","16.6389","0.0011","10.1097","0.0008","11.205","0.003","90","","109.247","0.01","90","","1779.5","0.5","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Co N4 O8 S2 -","- C10 H14 Co N4 O8 S2 -","- C40 H56 Co4 N16 O32 S8 -","4","1","CV6314","Yi-Hong Shen; Jia-Geng Liu; Duan-Jun Xu","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II) dihydrate","Acta Crystallographica Section E","2004","60","6","m842","m844","10.1107/S1600536804011924","","","0.71073","MoKα","","0.067","0.05","","","0.115","0.123","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203743","9.172","0.003","12.014","0.007","12.597","0.008","75.15","0.001","73.95","0.001","86.79","0.01","1289.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Triaqua(2,2'-bipyridine)(thiophene-2,5-dicarboxylato)manganese 4,4'-bipyridine hemisolvate trihydrate","","- C42 H52 Mn2 N6 O20 S2 -","- C42 H52 Mn2 N6 O20 S2 -","- C42 H52 Mn2 N6 O20 S2 -","1","0.5","CV6316","Xian-Zhong Sun; Bao-Hui Ye","Triaqua(2,2'-bipyridine)(thiophene-2,5-dicarboxylato)manganese(II) 4,4'-bipyridine hemisolvate trihydrate","Acta Crystallographica Section E","2004","60","6","m878","m880","10.1107/S1600536804012619","","","0.71073","MoKα","","0.0551","0.0478","","","0.1318","0.1389","","","","","","1.045","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2203744","10.3531","0.0011","15.0133","0.0016","11.6892","0.0012","90","","95.138","0.002","90","","1809.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-κN)zinc(II)","","- C40 H36 N6 O4 Zn -","- C40 H36 N6 O4 Zn -","- C80 H72 N12 O8 Zn2 -","2","0.5","CV6317","Ali, Hapipah; Khamis, Nur Ashikin; Basirun, W. Jefri.; Yamin, Bohari M.","Bis{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2004","60","6","m873","m875","10.1107/S1600536804011936","","","0.71073","MoKα","","0.0783","0.0637","","","0.1379","0.1445","","","","","","1.219","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203745","9.2367","0.0015","9.7383","0.0016","11.5791","0.0019","85.764","0.003","76.748","0.003","66.394","0.003","928.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N,N,N',N'-Tetrakis[(1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine glycol disolvate","","- C38 H44 N10 O4 -","- C38 H44 N10 O4 -","- C38 H44 N10 O4 -","1","0.5","CV6318","Qin, Shi-Dong; Feng, Si-Si; Zhang, Hong-Mei; Yang, Pin; Zhu, Miao-Li","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[(1<i>H</i>-benzimidazol-2-yl)methyl]ethane-1,2-diamine glycol disolvate","Acta Crystallographica Section E","2004","60","6","o1121","o1122","10.1107/S1600536804012826","","","0.71073","MoKα","","0.1002","0.0689","","","0.1977","0.2498","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203746","11.5912","0.0001","21.7257","0.0002","22.9487","0.0002","90","","90.7188","0.0004","90","","5778.65","0.09","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H102 O11 Sn5 -","- C42 H102 O11 Sn5 -","- C168 H408 O44 Sn20 -","4","1","DN6124","Ballivet-TkatCchenko, Danielle; Burgat, Romain; Plasseraud, Laurent; Ricchard, Philippe","The ionic tin(IV) complex tri-μ~2~-methoxy-μ~3~-oxo-tris[di-<i>tert</i>-butyltin(IV)] tri-μ~2~-methoxy-bis[<i>tert</i>-butyldimethoxystannate(IV)]","Acta Crystallographica Section E","2004","60","6","m830","m832","10.1107/S1600536804011808","","","0.71073","MoKα","","0.0438","0.0275","","","0.0531","0.0569","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203747","12.798","0.0006","10.8334","0.0003","10.9142","0.0003","90","","102.796","0.001","90","","1475.63","0.09","296","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-oxo-5-(5-phenyltetrazol-2-yl)piperidine-2-carboxylate","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C56 H60 N20 O12 -","4","1","DN6134","Lenda, Fatimazohra; Guenoun, Farhate; Tasi, Bouchra; Ben larbi, Najib; Martinez, Jean; Lamaty, Frederic; Allouchi, Hassan","A new key intermediate in the synthesis of 6-oxopiperidine-2-carboxylate derivatives","Acta Crystallographica Section E","2004","60","6","o1038","o1039","10.1107/S1600536804011626","","","0.71069","MoKα","","","0.044","","","","0.1083","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203748","9.2651","0.0007","16.684","0.0014","16.8258","0.0014","92.13","0.002","90.032","0.002","94.958","0.002","2589.4","0.4","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H76 N2 P4 Pt2 -","- C50 H76 N2 P4 Pt2 -","- C100 H152 N4 P8 Pt4 -","2","1","DN6135","Khan, Muhammad S.; Al-Suti, Mohammed K.; Ahrens, Birte; Raithby, Paul R.; Teat, Simon J.","<i>trans</i>-(μ-5,5'-Diethynyl-2,2'-bipyridine)bis[phenylbis(triethylphosphine)platinum(II)]","Acta Crystallographica Section E","2004","60","6","m735","m737","10.1107/S1600536804010359","","","0.6941","synchrotron","","0.0468","0.0318","","","0.0654","0.0677","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203749","15.8077","0.0007","5.4113","0.0002","15.894","0.0009","90","","95.343","0.002","90","","1353.67","0.11","293.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Phenyl-2-(toluene-4-sulfonyl)ethanone","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","DN6137","Gu, Jian-Ming; Zhang, You-Chu; Hu, Xiu-Rong","1-Phenyl-2-(toluene-4-sulfonyl)ethanone","Acta Crystallographica Section E","2004","60","6","o1115","o1116","10.1107/S160053680401267X","","","0.7107","MoKα","","","0.0448","","","","0.104","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203750","15.3347","0.0002","13.028","0.0002","31.6125","0.0004","90","","102.678","0.001","90","","6161.58","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichloro(η^6^-p-cymene)[(2,4,6-tri-tert-butylphenyl)phosphine-κP]osmium","","- C28 H45 Cl2 Os P -","- C28 H45 Cl2 Os P -","- C224 H360 Cl16 Os8 P8 -","8","1","DN6138","Therrien, Bruno; Burrell, Anthony K.","Dichloro(η^6^-<i>p</i>-cymene)[η^1^-(2,4,6-tri-<i>tert</i>-butylphenyl)phosphine-κ<i>P</i>]osmium(II)","Acta Crystallographica Section E","2004","60","6","m863","m864","10.1107/S1600536804012474","","","0.71073","MoKα","","0.0379","0.031","","","0.0779","0.0807","","","","","","1.192","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2203751","9.337","0.003","9.601","0.004","9.947","0.005","68.18","0.03","84.25","0.03","71.52","0.02","785","0.6","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cl2 N2 O4 -","- C14 H20 Cl2 N2 O4 -","- C28 H40 Cl4 N4 O8 -","2","1","FL6097","Hiroyuki Ishida","Pyrrolidinium chloranilate","Acta Crystallographica Section E","2004","60","6","o974","o976","10.1107/S1600536804010724","","","0.71073","MoKα","","0.078","0.043","","","0.142","0.159","","","","","","1.09","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203752","7.894","0.003","18.492","0.003","13.271","0.002","90","","101.46","0.02","90","","1898.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4‒chlorophenyl)-5-methyl-7,8,9,10-tetrahydro-6H- cyclohepta[e][1,3]oxazolo[3,2-a]pyridin-11-ium perchlorate","","- C19 H19 Cl2 N O5 -","- C19 H19 Cl2 N O5 -","- C76 H76 Cl8 N4 O20 -","4","1","FL6103","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","2-(4-Chlorophenyl)-5-methyl-7,8,9,10-tetrahydro-6<i>H</i>-cyclohepta[<i>e</i>][1,3]oxazolo[3,2-<i>a</i>]pyridin-11-ium perchlorate","Acta Crystallographica Section E","2004","60","6","o1096","o1097","10.1107/S1600536804012462","","","1.5418","CuKα","","0.0458","0.0419","","","0.1036","0.1068","","","","","","0.978","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203753","10.7198","0.0008","7.7518","0.0005","26.447","0.002","90","","93.635","0.001","90","","2193.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5-dicarboethoxy-3,4-bis(4-bromophenyl)cyclopentadienone","Diethyl 4,5-bis(4-bromophenyl)-2-oxocyclopentadiene-1,3-dicarboxylate","","- C23 H18 Br2 O5 -","- C23 H18 Br2 O5 -","- C92 H72 Br8 O20 -","4","1","FL6104","Grossie, David A.; Feld, William A.","Diethyl 4,5-bis(4-bromophenyl)-2-oxocyclopentadiene-1,3-dicarboxylate","Acta Crystallographica Section E","2004","60","6","o1017","o1018","10.1107/S1600536804011225","","","0.71069","MoKα","","0.065","0.0457","","","0.1196","0.1314","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203754","6.937","0.002","8.674","0.002","17.491","0.004","90","","94.94","0.01","90","","1048.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-oxopyridine N-oxide(1-)-κ^2^O,O']palladium(II)","","- C10 H8 N2 O4 Pd -","- C10 H8 N2 O4 Pd -","- C40 H32 N8 O16 Pd4 -","4","1","HB6027","Xu, Li; Li, Yi-Zhi; Chen, Xue-Tai; Ji, Xing-Xiang","Bis[2-oxopyridine <i>N</i>-oxide(1‒)-κ^2^<i>O,O</i>']palladium(II)","Acta Crystallographica Section E","2004","60","6","m769","m770","10.1107/S1600536804006385","","","0.71073","MoKα","","0.07","0.0385","","","0.0746","0.08","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203755","6.94","0.001","9.319","0.002","10.765","0.002","99.36","0.01","94.86","0.02","106.27","0.02","653.2","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","trans-bis[4-amino-3,5-bis(2-pyridyl)-4H-1,2,4-triazole- κ^2^N^1^,N^5^]bis(nitrato-κO)copper(II)","","- C24 H20 Cu N14 O6 -","- C24 H20 Cu N14 O6 -","- C24 H20 Cu N14 O6 -","1","0.5","HB6038","García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; Beobide, Garikoitz; Román, Pascual","<i>trans</i>-Bis[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2004","60","6","m720","m722","10.1107/S1600536804010220","","","0.71073","MoKα","","0.1526","0.0462","","","0.0642","0.0781","","","","","","0.812","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203756","11.882","0.002","16.367","0.003","12.744","0.003","90","","90.353","0.003","90","","2478.3","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Aquachloro[tris(methylpyridyl)amine]cobalt(III) diperchlorate monohydrate","","","- C18 H22 Cl3 Co N4 O10 -","- C18 H22 Cl3 Co N4 O10 -","- C72 H88 Cl12 Co4 N16 O40 -","4","1","HB6039","Failes, Timothy W.","Aquachloro[tris(methylpyridyl)amine]cobalt(III) diperchlorate monohydrate","Acta Crystallographica Section E","2004","60","6","m781","m782","10.1107/S1600536804011341","","","0.71073","MoKα","","0.0507","0.0366","","","0.1016","0.1075","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203757","14.213","0.004","4.9447","0.0012","11.401","0.002","90","","97.284","0.019","90","","794.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium 2-aminobenzenesulfonate","","","- C6 H6 N Na O3 S -","- C6 H6 N Na O3 S -","- C24 H24 N4 Na4 O12 S4 -","4","1","HB6040","Graham Smith; Urs D. Wermuth; David J. Young; Peter C. Healy","Polymeric anhydrous sodium 2-aminobenzensulfonate","Acta Crystallographica Section E","2004","60","6","m836","m838","10.1107/S1600536804011456","","","0.71069","MoKα","","0.0626","0.0395","","","0.1129","0.1527","","","","","","0.891","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203758","18.0843","0.0005","8.198","0.0014","21.469","0.0012","90","","90","","90","","3182.9","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-n-Butyl-2-(4'-fluorophenyl)-1H-benzimidazole-6-carbonitrile","","- C18 H16 F N3 -","- C18 H16 F N3 -","- C144 H128 F8 N24 -","8","2","HB6041","Kazak, Canan; Yilmaz, Veysel T.; Goker, Hakan; Kus, Canan","1-<i>n</i>-Butyl-2-(4'-fluorophenyl)-1<i>H</i>-benzimidazole-6-carbonitrile","Acta Crystallographica Section E","2004","60","6","m819","m821","10.1107/S1600536804011468","","","0.71073","MoKα","","0.0678","0.036","","","0.0761","0.083","","","","","","0.8","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203759","10.577","0.002","12.779","0.002","17.924","0.003","75.562","0.004","88.993","0.003","71.629","0.003","2221.7","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(Ir(fppy)2Cl)2","Di-μ-chloro-bis{bis[4-(2-pyridyl)benzaldehyde-κ^2^C^2^,N']iridium} dichloromethane sesquisolvate","","- C49.5 H35 Cl5 Ir2 N4 O4 -","- C49.5 H35 Cl5 Ir2 N4 O4 -","- C99 H70 Cl10 Ir4 N8 O8 -","2","1","HB6042","Bettington, Sylvia; Thompson, Amber L.; Beeby, Andrew; Goeta, Andrés E.","Di-μ-chloro-bis{bis[4-(2-pyridyl)benzaldehyde-κ^2^<i>C</i>^2^,<i>N</i>']iridium} dichloromethane sesquisolvate","Acta Crystallographica Section E","2004","60","6","m827","m829","10.1107/S1600536804011663","","","0.71073","MoKα","","0.0699","0.0423","","","0.0805","0.0883","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2203760","7.8694","0.0013","8.866","0.0013","10.2643","0.0011","65.788","0.011","69.511","0.012","81.816","0.014","611.83","0.17","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Co N8 O10 -","- C18 H30 Co N8 O10 -","- C18 H30 Co N8 O10 -","1","0.5","HB6043","Zhen-Feng Chen; Jian Zhou; Hong Liang; Yu-Hui Tan; Yong Zhang","Bis{3-[(<i>E</i>)-2-(aminocarbonyl)hydrazonomethyl]pyridine-κ<i>N</i>}tetraaquacobalt(II) diacetate","Acta Crystallographica Section E","2004","60","6","m802","m804","10.1107/S1600536804011420","","","0.7107","MoKα","","0.0297","0.0279","","","0.0677","0.0685","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203761","15.0895","0.0018","10.8217","0.0013","15.2048","0.0018","90","","104.705","0.002","90","","2401.5","0.5","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 Cu2 N2 O15 -","- C17 H30 Cu2 N2 O15 -","- C68 H120 Cu8 N8 O60 -","4","1","HB6044","Meng, Bianhong; Huang, Shuping; Gao, Fei","Redetermination of [HCu~2~{(CH~3~HXTA)(H)}(H~2~O)~2~]·4H~2~O [CH~3~HXTA = <i>N,N</i>'-(2-hydroxy-5-methyl-1,3-xylylene)bis(<i>N</i>-carboxymethylglycine)]","Acta Crystallographica Section E","2004","60","6","m797","m799","10.1107/S1600536804011432","","","0.71073","MoKα","","0.0362","0.0312","","","0.0804","0.0819","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203762","7.2401","0.0002","8.0946","0.0002","10.2386","0.0003","75.814","0.001","70.486","0.001","73.894","0.001","535.62","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium dithiocyanatogold(I)","","- C14 H24 Au K N2 O6 S2 -","- C14 H24 Au K N2 O6 S2 -","- C14 H24 Au K N2 O6 S2 -","1","0.5","HB6045","Coker, Nathan L.; Krause Bauer, Jeanette A.; Elder, R. C.","(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium dithiocyanatoaurate(I)","Acta Crystallographica Section E","2004","60","6","m814","m816","10.1107/S1600536804011614","","","0.71073","MoKα","","0.0177","0.0177","","","0.0385","0.0385","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203763","8.748","0.001","19.503","0.002","17.247","0.002","90","","94.842","0.005","90","","2932","0.6","150.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 Ag F8 N2 O4 S2 -","- C26 H23 Ag F8 N2 O4 S2 -","- C104 H92 Ag4 F32 N8 O16 S8 -","4","0.5","HB6047","Liu, Shu Qin; Konaka, Hisashi; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Ning, Gui Ling; Munakata, Megumu","<i>catena</i>-Poly[[[diacetonitrilesilver(I)]-μ-2,11-dithia[3.3]paracyclophane-κ^2^<i>S</i>:<i>S</i>'] hydrogenoctafluoroadipate]","Acta Crystallographica Section E","2004","60","6","m865","m867","10.1107/S1600536804012486","","","0.7107","MoKα","","","0.035","","","","0.0669","","","","","","1.097","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203764","13.3664","0.0003","11.4709","0.0003","17.1147","0.0004","90","","112.16","0.001","90","","2430.27","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethylammonium 1,1'-spiro-bis(3,5,-dihydroxy-2,4,6-trioxa-1,3,5-triboracyclohexane)borate","","- C2 H12 B5 N O10 -","- C2 H12 B5 N O10 -","- C16 H96 B40 N8 O80 -","8","1","HB6049","R. Angharad Baber; Jonathan P. H. Charmant; Nicholas C. Norman; A. Guy Orpen; Jean Rossi","Dimethylammonium tetrahydropentaborate","Acta Crystallographica Section E","2004","60","6","o1086","o1088","10.1107/S1600536804012371","","","1.54178","CuKα","","0.0392","0.0339","","","0.0861","0.0884","","","","","","0.989","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203765","16.0338","0.001","13.64","0.0008","16.6764","0.001","90","","96.779","0.001","90","","3621.6","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(tetramethylammonium) hexaaquacobalt(II) β-octamolybdate(vi)","","- C8 H36 Co Mo8 N2 O32 -","- C8 H36 Co Mo8 N2 O32 -","- C32 H144 Co4 Mo32 N8 O128 -","4","0.5","HG6029","Shu-Mei Chen; Can-Zhong Lu; Ya-Qin Yu; Quan-Zheng Zhang; Xiang He","Bis(tetramethylammonium) hexaaquacobalt(II) β-octamolybdate(VI)","Acta Crystallographica Section E","2004","60","6","m723","m725","10.1107/S1600536804007524","","","0.71073","MoKα","","","0.0386","","","0.0966","0.1051","","","","","","1.099","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203766","13.178","0.007","11.587","0.006","14.516","0.007","90","","112.949","0.008","90","","2041.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[3,6,9,12,23-Pentaazatetracyclo[22.4.0.0^2,6^.0^14,19^]octacosa- 1(28),12,14,16,18,24,26-heptaene-21,22-dione(2-)- κ^5^N^6^,N^9^,N^12^,N^20^,N^23^]copper(II)","","- C22 H24 Cu N6 O2 -","- C22 H24 Cu N6 O2 -","- C88 H96 Cu4 N24 O8 -","4","1","HG6037","Ya-Qiu Sun; Wen Dong; Guang-Ming Yang; Dai-Zheng Liao","[3,6,9,12,23-Pentaazatetracyclo[22.4.0.0^2,6^.0^14,19^]octacosa-1(28),12,14,16,18,24,26-heptaene-21,22-dione(2‒)-κ^5^<i>N</i>^6^,<i>N</i>^9^,<i>N</i>^12^,<i>N</i>^20^,<i>N</i>^23^]copper(II)","Acta Crystallographica Section E","2004","60","6","m848","m849","10.1107/S1600536804011973","","","0.71073","MoKα","","0.1059","0.0516","","","0.1106","0.1376","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203767","21.104","0.002","9.1302","0.001","18.3734","0.0019","90","","103.935","0.002","90","","3436.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Li[N(SiMe~3~)C(ph)N]C~2~H~4~NMe~2~","Bis{μ-N-[(2-(dimethylamino)ethyl]-N'- (trimethylsilyl)benzamidinato}dilithium(I)","","- C28 H48 Li2 N6 Si2 -","- C28 H48 Li2 N6 Si2 -","- C112 H192 Li8 N24 Si8 -","4","0.5","HG6039","Tong, Hong-Bo; Wei, Xue-Hong; Liu, Dian-Sheng; Huang, Su-Ping","Bis{μ-<i>N</i>-[(2-(dimethylamino)ethyl]-<i>N</i>'-(trimethylsilyl)benzamidinato}dilithium(I)","Acta Crystallographica Section E","2004","60","6","m825","m826","10.1107/S1600536804011560","","","0.71073","MoKα","","0.08","0.0684","","","0.1679","0.1765","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203768","6.94","0.002","15.994","0.004","15.573","0.004","90","","93.93","0.01","90","","1724.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1-(4-chlorobenzyl)-3-methylpyrazinium] bis(maleonitriledithiolato)nickelate(II)","","- C32 H24 Cl2 N8 Ni S4 -","- C32 H24 Cl2 N8 Ni S4 -","- C64 H48 Cl4 N16 Ni2 S8 -","2","0.5","HG6041","Minghua Yang; Chunlin Ni; Yunfa Zheng; Weijin Gu","Bis[1-(4-chlorobenzyl)-3-methylpyrazinium] bis(maleonitriledithiolato)nickelate(II)","Acta Crystallographica Section E","2004","60","6","m833","m835","10.1107/S1600536804011705","","","0.71073","MoKα","","0.0394","0.032","","","0.08","0.082","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203769","6.9084","0.0002","8.7738","0.0004","8.8162","0.0004","99.552","0.002","110.209","0.002","104.461","0.002","466.51","0.03","150","2","296","2","","","","","","","","4","P -1","-P 1","2","","Poly[[diaquacerium(III)]-μ~5~-propane-1,2,3-tricarboxylato]","","- C6 H9 Ce O8 -","- C6 H9 Ce O8 -","- C12 H18 Ce2 O16 -","2","1","HG6042","Armstrong, Jennifer A.; Barnes, John C.","Poly[[diaquacerium(III)]-μ~5~-propane-1,2,3-tricarboxylato]","Acta Crystallographica Section E","2004","60","6","m791","m793","10.1107/S1600536804011389","","","0.71073","MoKα","","0.027","0.0261","","","0.0634","0.064","","","","","","1.128","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203770","15.712","0.007","6.141","0.003","10.464","0.005","90","","104.96","0.04","90","","975.4","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-ammonium trans-2-carboxycyclohexanecarboxylate","","- C8 H15 N O4 -","- C8 H15 N O4 -","- C32 H60 N4 O16 -","4","1","HG6043","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","The hydrogen-bonding network in <i>rac</i>-ammonium <i>trans</i>-2-carboxycyclohexanecarboxylate","Acta Crystallographica Section E","2004","60","6","o1012","o1014","10.1107/S1600536804011146","","","0.71073","MoKα","","0.0906","0.0541","","","0.1312","0.154","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203771","24.373","0.002","7.5744","0.0006","10.0284","0.0009","90","","106.134","0.002","90","","1778.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","DL-Valine‒succinic acid (2/1)","","- C14 H28 N2 O8 -","- C14 H28 N2 O8 -","- C56 H112 N8 O32 -","4","0.5","HG6046","M. Alagar; M. Subha Nandhini; R. V. Krishnakumar; K. Ravikumar; S. Natarajan","<small>DL</small>-Valine‒succinic acid (2/1)","Acta Crystallographica Section E","2004","60","6","o1009","o1011","10.1107/S1600536804011134","","","0.71073","MoKα","","0.0546","0.0482","","","0.1277","0.1326","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203772","13.001","0.003","23.211","0.003","27.01","0.008","90","","90","","90","","8151","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Dibenzylacetone-κO)(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')dioxouranium(VI)","","- C47 H36 O7 U -","- C47 H36 O7 U -","- C376 H288 O56 U8 -","8","1","HG6047","M. Alagar; S. Kannan; K. Rajagopal; V. Venugopal; R. V. Krishnakumar; M. Subha Nandhini; S. Natarajan","(Dibenzylacetone-κ<i>O</i>)(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O,O</i>')dioxouranium(VI)","Acta Crystallographica Section E","2004","60","6","m773","m775","10.1107/S1600536804011122","","","0.71073","MoKα","","0.203","0.0701","","","0.144","0.267","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203773","11.883","0.004","13.833","0.004","15.737","0.005","90","","90","","90","","2586.8","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-3,20-dioxopregna-1,4-diene- 17,21-diyl dipropionate","","- C28 H37 F O7 -","- C28 H37 F O7 -","- C112 H148 F4 O28 -","4","1","HG6048","Shu-Li Wang; Yan Zheng; Wen-Qin Zhang","Betamethasone dipropionate","Acta Crystallographica Section E","2004","60","6","o1063","o1064","10.1107/S160053680401205X","","","0.71073","MoKα","","0.0794","0.0587","","","","0.1743","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203774","10.419","0.006","12.996","0.002","13.841","0.002","90","","90","","90","","1874.1","1.1","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","21,24-dimethyl-3,12,21,24-tetraazahexacyclo[9.7.3.3^2,10^. O^1,10^.O^4,9^.O^13,18^]tetracosa-4,6,8,13(18),14,16-hexaene","","- C22 H28 N4 O -","- C22 H28 N4 O -","- C88 H112 N16 O4 -","4","1","HG6049","Vencato, Ivo; Lariucci, Carlito; Oliveira, Cecilia M. A. de; Kato, Lucilia; Nascimento, Claudia A. do","Calycanthine monohydrate","Acta Crystallographica Section E","2004","60","6","o1023","o1025","10.1107/S160053680401178X","","","1.5418","CuKα","","0.0657","0.0653","","","0.149","0.15","","","","","","1.16","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203775","9.2424","0.0002","16.521","0.0005","11.9154","0.0004","90","","98.631","0.002","90","","1798.8","0.09","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","HG6050","Simpson, Michael; Storey, John M. D.; Harrison, William T. A.","Diethyl 9,10-<i>endo</i>-ethano-9,10-dihydroanthracene-11,11-dicarboxylate","Acta Crystallographica Section E","2004","60","6","o1081","o1083","10.1107/S1600536804012279","","","0.71073","MoKα","","0.0735","0.0554","","","0.1328","0.143","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203776","7.6677","0.0003","26.7366","0.0012","6.6477","0.0003","90","","109.065","0.002","90","","1288.08","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[Bis(cyclopropanecarbonyl)amino]-4,6-dichloropyrimidine","","- C12 H11 Cl2 N3 O2 -","- C12 H11 Cl2 N3 O2 -","- C48 H44 Cl8 N12 O8 -","4","1","HG6054","Walji, Dhiran; Storey, John M. D.; Harrison, William T. A.","5-[Bis(cyclopropanecarbonyl)amino]-4,6-dichloropyrimidine containing a short cyclopropyl C—H···O interaction","Acta Crystallographica Section E","2004","60","6","o1110","o1112","10.1107/S1600536804012577","","","0.71073","MoKα","","0.0814","0.0426","","","0.0901","0.1037","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203777","9.1419","0.0013","10.0656","0.0014","12.1721","0.0017","90.438","0.003","105.11","0.003","94.126","0.003","1078.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-1,1'-biphenyl- 2-carbonitrile‒water (4/1)","","- C25 H27.5 N3 O1.25 -","- C25 H27.5 N3 O1.25 -","- C50 H55 N6 O2.5 -","2","1","LH6182","Qing Bao Song; You Hua Hu; Tian Hua Shen; Zhi Min Jin","4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-1,1'-biphenyl-2-carbonitrile 0.25-hydrate","Acta Crystallographica Section E","2004","60","6","m741","m743","10.1107/S1600536804008463","","","0.71073","MoKα","","0.0893","0.0557","","","0.101","0.1179","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2203778","10.099","0.005","16.315","0.007","18.593","0.008","90","","90","","90","","3063","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C128 H112 N48 O16 -","16","2","LH6207","Ling Xu; Guo-Cong Guo; Bing Liu; Ming-Lai Fu; Jin-Shun Huang","3-(1<i>H</i>-1,2,4-Triazol-4-yl)phenol","Acta Crystallographica Section E","2004","60","6","o1060","o1062","10.1107/S1600536804012152","","","0.71073","MoKα","","0.0594","0.0546","","","0.1167","0.119","","","","","","1.271","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203779","7.8664","0.0012","10.714","0.0016","22.582","0.003","90","","99.569","0.003","90","","1876.7","0.5","293","2","293","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","Bis[μ-(S)-1-(1-ferrocenylethylidene)-4-methylthiosemicarbazide- κ^2^C^2^,N,S:S]bis[dicarbonylruthenium] dichlormethane solvate","","- C33 H34 Cl2 Fe2 N6 O4 Ru2 S2 -","- C33 H34 Cl2 Fe2 N6 O4 Ru2 S2 -","- C66 H68 Cl4 Fe4 N12 O8 Ru4 S4 -","2","0.5","LH6209","Jing-Mu Yang; Wen-Bin Ma; Bao-Hua Chen; Guo-Sheng Huang; Yong-Xiang Ma","Bis[μ-(<i>S</i>)-1-(1-ferrocenylethylidene)-4-methylthiosemicarbazide-κ^2^<i>C</i>^2^,<i>N,S</i>:<i>S</i>]bis(dicarbonylruthenium) dichloromethane solvate","Acta Crystallographica Section E","2004","60","6","m852","m853","10.1107/S1600536804012164","","","0.71073","MoKα","","0.1262","0.0657","","","0.1371","0.1576","","","","","","0.855","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203780","9.177","0.005","15.124","0.01","13.334","0.007","90","","101.73","0.02","90","","1812","1.8","102","","102","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloro[N,N'-ethylenebis(5-carboxysalicylideneiminato)]iron(III)","","- C18 H14 Cl Fe N2 O6 -","- C18 H14 Cl Fe N2 O6 -","- C72 H56 Cl4 Fe4 N8 O24 -","4","1","LH6213","Chen, Banglin; Contreras, Damacio S.; Clancy, Yvette L.; Fronczek, Frank R.","Chloro[<i>N,N</i>'-ethylenebis(5-carboxysalicylideneiminato)]iron(III)","Acta Crystallographica Section E","2004","60","6","m732","m734","10.1107/S160053680401030X","","","0.71073","MoKα","","0.193","0.074","","","0.128","0.167","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203781","9.754","0.0002","33.4646","0.0007","8.901","0.0001","90","","103.602","0.0009","90","","2823.92","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3,4,5-trimethoxyphenylmethane","","- C30 H32 N6 O3 -","- C30 H32 N6 O3 -","- C120 H128 N24 O12 -","4","1","LH6214","Low, John N.; Cobo, Justo; Portilla, Jaime; Quiroga, Jairo; Glidewell, Christopher","Bis(5-amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-3,4,5-trimethoxyphenylmethane: sheets built from N—H···N and N—H···O hydrogen bonds","Acta Crystallographica Section E","2004","60","6","o1034","o1037","10.1107/S1600536804011511","","","0.71073","MoKα","","0.0778","0.0554","","","0.1314","0.1443","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203782","7.991","0.002","8.611","0.002","11.007","0.002","100.5","0.03","98.46","0.03","102.37","0.03","713.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(4,4'-dimethyl-2,2'-bipyridinium) hexachlororhenium(IV) dihydrate","","- C24 H30 Cl6 N4 O2 Re -","- C24 H30 Cl6 N4 O2 Re -","- C24 H30 Cl6 N4 O2 Re -","1","0.5","LH6215","Andrzej Kochel","Bis(4,4'-dimethyl-2,2'-bipyridinium) hexachlororhenium(IV) dihydrate","Acta Crystallographica Section E","2004","60","6","m859","m860","10.1107/S1600536804012255","","","0.71073","MoKα","","0.0751","0.0549","","","0.0706","0.0755","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203783","13.1346","0.0012","9.2316","0.0009","14.2385","0.0014","90","","95.171","0.002","90","","1719.4","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetramethylammonium oxodisulfatevanadate","Tetrakis(tetramethylammonium) di-am-sulfato-bis[oxosulfatovanadium(V)]","","- C16 H48 N4 O18 S4 V2 -","- C16 H48 N4 O18 S4 V2 -","- C32 H96 N8 O36 S8 V4 -","2","0.5","LH6220","Ngala, Katana; Zavalij, Peter Y.; Whittingham, M. Stanley","Tetrakis(tetramethylammonium) di-μ-sulfato-bis[oxosulfatovanadate(V)]","Acta Crystallographica Section E","2004","60","6","m881","m883","10.1107/S1600536804012589","","","0.71073","MoKα","","0.0336","0.0309","","","0.0758","0.0777","","","","","","1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203784","6.5253","0.0002","21.4286","0.0005","10.8198","0.0009","90","","90","","90","","1512.91","0.14","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","rac-5-Acetyl-6-(4-nitrophenyl)-6,7-dihydro-5H-1,3-dioxolo[4,5-g]quinoline-8-one","","- C18 H14 N2 O6 -","- C18 H14 N2 O6 -","- C72 H56 N8 O24 -","4","1","LH6221","Low, John N.; Cobo, Justo; Ortíz, Angy; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","<i>rac</i>-5-Acetyl-6-(4-nitrophenyl)-6,7-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]quinoline-8-one: chains of rings built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2004","60","6","o1057","o1059","10.1107/S1600536804012140","","","0.71073","MoKα","","0.0697","0.0415","","","0.0783","0.0865","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203785","9.728","0.003","17.232","0.005","14.953","0.005","90","","108.076","0.006","90","","2382.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2,2'-Bis[(3-aminopropyl)iminomethyl]oxalanilide}cobalt(III) perchlorate","","- C22 H26 Cl Co N6 O6 -","- C22 H26 Cl Co N6 O6 -","- C88 H104 Cl4 Co4 N24 O24 -","4","1","NA6309","Ya-Qiu Sun; Wen Dong; Guang-Ming Yang; Dai-Zheng Liao","{2,2'-Bis[(3-aminopropyl)iminomethyl]oxalanilide}cobalt(III) perchlorate","Acta Crystallographica Section E","2004","60","6","m730","m731","10.1107/S1600536804009894","","","0.71073","MoKα","","0.1142","0.0538","","","0.1005","0.1181","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203786","13.071","0.003","8.36","0.001","17.418","0.004","90","","109.01","0.02","90","","1799.5","0.7","293","","293","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(E)-1-[1-ethoxycarbonyl-2(N-benzylamino)-1-propenyl]benzotriazole.","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C76 H80 N16 O8 -","4","1","NA6321","Guo-Bin Zhou; Peng-Fei Zhang; Zhen-Chu Chen; Yuan-Jiang Pan","Ethyl (<i>E</i>)-2-(1<i>H</i>-benzotriazol-1-yl)-3-(<i>N</i>-benzylamino)but-2-enoate","Acta Crystallographica Section E","2004","60","6","o1021","o1022","10.1107/S1600536804011250","","","0.7107","MoKα","","","0.042","","","0.051","","","","","1.18","1.18","","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203787","11.6567","0.0001","13.6627","0.0001","24.1997","0.0002","90","","90","","90","","3854.09","0.05","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 Cl4 N4 Pd -","- C39 H42 Cl4 N4 Pd -","- C156 H168 Cl16 N16 Pd4 -","4","1","NA6322","Lebel, Hélène; Sanchez Salvatori, Maria del Rayo; Bélanger-Gariépy, Francine","(<i>R</i>)-Bis[1,3-bis(1-phenylethyl)imidazolin-2-ylidene]dichloropalladium(II) dichloromethane solvate","Acta Crystallographica Section E","2004","60","6","m755","m757","10.1107/S1600536804010451","","","1.54178","CuKα","","0.0374","0.0338","","0.0844","","0.0829","","","1.013","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203788","7.0546","0.0003","23.3933","0.0011","16.2515","0.0009","90","","102.405","0.003","90","","2619.4","0.2","110","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 N2 O4 S2 -","- C31 H24 N2 O4 S2 -","- C124 H96 N8 O16 S8 -","4","1","NA6324","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Jiro Tsuji","<i>N</i>,<i>N</i>-[(<i>Z</i>,<i>Z</i>)-7,7-Diphenylbicyclo[4.1.0]hept-3-ene-2,5-diylidene]dibenzenesulfonamide","Acta Crystallographica Section E","2004","60","6","o982","o984","10.1107/S1600536804010815","","","0.71073","MoKα","","0.0383","0.0323","","","0.0824","0.0871","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203789","9.2265","0.0005","11.6587","0.0006","11.9719","0.0007","80.92","0.001","87.804","0.001","89.488","0.001","1270.73","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Co N10 O10 -","- C52 H64 Co N10 O10 -","- C52 H64 Co N10 O10 -","1","0.5","NA6326","Nordell, Karen J.; Schultz, Kristin N.; Smith, Mark D.","<i>trans</i>-Diaquatetrakis(4,4'-methylenediphenylamine-κ<i>N</i>)cobalt(II) dinitrate dihydrate","Acta Crystallographica Section E","2004","60","6","m857","m858","10.1107/S1600536804011894","","","0.71073","MoKα","","0.0521","0.0405","","","0.0787","0.0813","","","","","","0.989","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203790","7.876","0.002","20.352","0.004","8.664","0.002","90","","101.87","0.01","90","","1359.1","0.5","298","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N2 O5 -","- C5 H6 N2 O5 -","- C40 H48 N16 O40 -","8","2","NA6327","Law, Ga-Lai; Szeto, Lap; Wong, Wing-Tak","2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid monohydrate","Acta Crystallographica Section E","2004","60","6","o1072","o1074","10.1107/S1600536804012267","","","0.7107","MoKα","","","0.045","","","","0.047","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203791","14.891","0.003","13.416","0.003","15.936","0.003","90","","91.781","0.016","90","","3182.1","1.1","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C10 H9 Cl9 -","- C10 H9 Cl9 -","- C80 H72 Cl72 -","8","2","NA6328","Hansen, Lars Kr.; Kallenborn, Roland; Kiprianova, Anastasia; Nikiforov, Vladimir; Trukhin, Alexey","An enantiomerically pure potential toxaphene congener: (1<i>R</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,7<i>S</i>)-2-<i>endo</i>,3-<i>exo</i>,5,5-tetrachloro-7-(chloromethyl)-1,7-bis(dichloromethyl)bicyclo[2.2.1]heptane","Acta Crystallographica Section E","2004","60","6","o1089","o1091","10.1107/S1600536804012437","","","0.71069","MoKα","","0.0319","0.0252","","","0.0632","0.0654","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203792","13.221","0.001","15.1466","0.0011","7.5827","0.0006","90","","105.324","0.002","90","","1464.47","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloroacetophenone 2,4-dinitrophenylhydrazone","","- C14 H11 Cl N4 O4 -","- C14 H11 Cl N4 O4 -","- C56 H44 Cl4 N16 O16 -","4","1","NA6329","Zheng Fan; Shang Shan; Wei-Xiao Hu; Duan-Jun Xu","3-Chloroacetophenone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section E","2004","60","6","o1102","o1104","10.1107/S1600536804012590","","","0.71069","MoKα","","0.083","0.05","","","0.114","0.127","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203793","7.851","0.002","7.657","0.002","16.296","0.004","90","","111.09","0.01","90","","914","0.4","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4,7-Dibromobenzo[c]furazan 1-oxide‒pyrene (1/1)","","- C22 H12 Br2 N2 O2 -","- C22 H12 Br2 N2 O2 -","- C44 H24 Br4 N4 O4 -","2","1","NA6330","Britton, Doyle","4,7-Dibromobenzo[<i>c</i>]furazan 1-oxide‒pyrene (1/1)","Acta Crystallographica Section E","2004","60","6","o1117","o1118","10.1107/S1600536804012449","","","0.71073","MoKα","","0.082","0.051","","","0.111","0.127","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","201973","2020-10-21","18:00:00",""
"2203794","6.2691","0.0016","9.2424","0.001","14.926","0.003","94.39","0.01","98.02","0.02","94.56","0.02","850.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chlorophenacyl)oxy-4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine","","- C19 H20 Cl N O2 -","- C19 H20 Cl N O2 -","- C38 H40 Cl2 N2 O4 -","2","1","NA6333","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","2-(4-Chlorophenacyloxy)-4-methyl-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine","Acta Crystallographica Section E","2004","60","6","o1098","o1099","10.1107/S1600536804012450","","","1.5418","CuKα","","0.0676","0.0496","","","0.1291","0.1436","","","","","","0.952","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203795","13.8888","0.0007","18.8359","0.0009","13.9301","0.0007","90","","116.545","0.001","90","","3260.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H84 O18 Si6 Sn6 -","- C36 H84 O18 Si6 Sn6 -","- C72 H168 O36 Si12 Sn12 -","2","0.5","NG6029","Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Thompson, Laura; Tiekink, Edward R. T.","Hexameric trimethylsilylmethyloxotin acetate, [(Me~3~SiCH~2~)Sn(O)(OAc)]~6~","Acta Crystallographica Section E","2004","60","6","m767","m768","10.1107/S1600536804011055","","","0.71069","MoKα","","0.064","0.044","","","0.086","0.093","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203796","7.8498","0.0019","8.836","0.002","10.2711","0.0017","65.822","0.015","69.678","0.016","82.14","0.02","609.5","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N8 Ni O10 -","- C18 H30 N8 Ni O10 -","- C18 H30 N8 Ni O10 -","1","0.5","NG6031","Zhen-Feng Chen; Jian Zhou; Dong-Qing Li; Ming-Xiong Tan; Hong Liang; Yong Zhang","Bis{3-[(<i>E</i>)-2-(aminocarbonyl)hydrazonomethyl]pyridine-κ<i>N</i>}tetraaquanickel(II) diacetate","Acta Crystallographica Section E","2004","60","6","m861","m862","10.1107/S1600536804012425","","","0.7107","MoKα","","0.0424","0.0376","","","0.0753","0.077","","","","","","1.124","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203797","8.7205","0.0006","20.2972","0.0013","8.8322","0.0006","90","","102.295","0.001","90","","1527.46","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (Z, Z)-3,3'-(propane-1,2-diyldiimino)dibut-2-enoate","","- C13 H22 N2 O4 -","- C13 H22 N2 O4 -","- C52 H88 N8 O16 -","4","1","OB6365","Zhenfeng Zhang; Shuo Jin; Bo Liu; Jianping Guo","Dimethyl (<i>Z,Z</i>)-3,3'-(propane-1,2-diyldiimino)dibut-2-enoate","Acta Crystallographica Section E","2004","60","6","o991","o993","10.1107/S1600536804010372","","","0.71073","MoKα","","0.0677","0.058","","","0.1851","0.1966","","","","","","1.108","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203798","13.0562","0.0003","13.0562","0.0003","10.4754","0.0005","90","","90","","120","","1546.45","0.09","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","fac-Triaqua[tris(2-pyridyl)amine]chromium(III) trifluoromethanesulfonate","","- C18 H18 Cr F9 N4 O12 S3 -","- C18 H18 Cr F9 N4 O12 S3 -","- C36 H36 Cr2 F18 N8 O24 S6 -","2","0.333333","OB6366","Terasaki, Yukiko; Fujihara, Takashi; Nagasawa, Akira; Kaizaki, Sumio","<i>fac</i>-Triaqua[tris(2-pyridyl)amine-κ^3^<i>N</i>]chromium(III) tris(trifluoromethanesulfonate)","Acta Crystallographica Section E","2004","60","6","m854","m856","10.1107/S1600536804011912","","","0.71073","MoKα","","0.0338","0.0324","","","0.0878","0.0888","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203799","8.877","0.001","18.508","0.003","22.098","0.003","90","","90","","90","","3630.6","0.9","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquaphenanthrolinemanganese(II) sulfate dihydrate","","- C12 H20 Mn N2 O10 S -","- C12 H20 Mn N2 O10 S -","- C96 H160 Mn8 N16 O80 S8 -","8","1","OB6367","Hui Wu; Jun Zhou; Huizhen Yu; Leilei Lu; Zhou Xu; Yu Wan; Daqing Shi","Tetraaquaphenanthrolinemanganese(II) sulfate dihydrate","Acta Crystallographica Section E","2004","60","6","m822","m824","10.1107/S1600536804011602","","","0.71073","MoKα","","0.051","0.0311","","","0.0653","0.0692","","","","","","0.892","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203800","9.091","0.004","14.789","0.006","8.396","0.003","103.52","0.03","93.65","0.03","80.41","0.04","1081.8","0.8","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 As O6 P3 S6 -","- C6 H18 As O6 P3 S6 -","- C12 H36 As2 O12 P6 S12 -","2","1","OB6370","Tetsuzo Ito","Tris(<i>O</i>,<i>O</i>'-dimethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')arsenic(III)","Acta Crystallographica Section E","2004","60","6","m783","m784","10.1107/S1600536804011237","","","0.7107","MoKα","","","0.029","","","","0.031","","","","","","1.541","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203801","17.08","0.05","8.95","0.02","7.23","0.02","90","","112.52","0.03","90","","1021","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine-κ^2^N,N')dichlorocopper(II)","","- C10 H8 Cl2 Cu N2 -","- C10 H8 Cl2 Cu N2 -","- C40 H32 Cl8 Cu4 N8 -","4","0.5","OB6373","Wang, Yan-Qin; Bi, Wen-Hua; Li, Xing; Cao, Rong","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dichlorocopper(II)","Acta Crystallographica Section E","2004","60","6","m876","m877","10.1107/S1600536804012565","","","0.71073","MoKα","","0.076","0.0549","","","0.1419","0.1578","","","","","","1.052","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203802","9.968","0.001","18.381","0.002","10.215","0.001","90","","108.883","0.006","90","","1770.9","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,5-Bis[(cyclopentyldiphenylstannyl)sulfanyl]-1,3,4-thiadiazole","","- C36 H38 N2 S3 Sn2 -","- C36 H38 N2 S3 Sn2 -","- C72 H76 N4 S6 Sn4 -","2","1","SU6096","Lo, Kong Mun; Ng, Seik Weng","2,5-Bis[(cyclopentyldiphenylstannyl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E","2004","60","6","m715","m716","10.1107/S1600536804010190","","","0.71073","MoKα","","0.042","0.031","","","0.066","0.071","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203803","12.324","0.003","12.842","0.003","19.975","0.004","90","","107.54","0.03","90","","3014.4","1.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Bis(p-chlorophenyl)(p-tolyl)chlorotin]-μ-1,2-bis(diphenylphosphoryl)ethane- κ^2^O:O'-[bis(p-chlorophenyl)(p-tolyl)bromotin]","","- C64 H58 Br Cl5 O2 P2 Sn2 -","- C64 H54 Br Cl5 O2 P2 Sn2 -","- C128 H108 Br2 Cl10 O4 P4 Sn4 -","2","0.5","SU6097","Lo, Kong Mun; Ng, Seik Weng","[Chlorobis(<i>p</i>-chlorophenyl)(<i>p</i>-tolyl)tin]-μ-1,2-bis(diphenylphosphoryl)ethane-κ^2^<i>O</i>:<i>O</i>'-[bromobis(<i>p</i>-chlorophenyl)(<i>p</i>-tolyl)tin]","Acta Crystallographica Section E","2004","60","6","m717","m719","10.1107/S1600536804010219","","","0.71073","MoKα","","0.109","0.054","","","0.093","0.114","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203804","26.2518","0.0009","9.3899","0.0004","18.496","0.0006","90","","90","","90","","4559.3","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2-Methylbenzimidaxolyl-κN)(triphenylphosphine-κP)gold(I) hemihydrate","","- C26 H23 Au N2 O0.5 P -","- C26 H23 Au N2 O0.5 P -","- C208 H184 Au8 N16 O4 P8 -","8","1","SU6098","Li, Dan; Wu, Tao; Ng, Seik Weng","(2-Methylbenzimidazolyl-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)gold(I) hemihydrate","Acta Crystallographica Section E","2004","60","6","m728","m729","10.1107/S1600536804010268","","","0.71073","MoKα","","0.068","0.038","","","0.08","0.092","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203805","4.8528","0.0004","7.0073","0.0006","23.256","0.003","90","","90","","90","","790.82","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,5-Dimethyl-pyrazol-1-yl)acetic acid","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","SU6099","Andrew N Boa; Jonathan D Crane","(3,5-Dimethylpyrazol-1-yl)acetic acid","Acta Crystallographica Section E","2004","60","6","o966","o967","10.1107/S1600536804010761","","","0.71073","MoKα","","0.0759","0.0487","","","0.13","0.1472","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203806","11.012","0.015","8.31","0.015","12.941","0.015","90","","108.406","0.015","90","","1124","3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-biphenyl)sydnone","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","SU6100","Riddle, Gordon B.; Grossie, David A.; Turnbull, Kenneth","3-(2-Biphenyl)sydnone","Acta Crystallographica Section E","2004","60","6","o977","o978","10.1107/S1600536804010773","","","0.70998","synchrotron","","0.0538","0.0495","","","0.137","0.1458","","","","","","1.128","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203807","11.285","0.003","11.862","0.003","16.449","0.004","80.97","0.004","71.818","0.004","62.518","0.004","1855.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetato-μ-hydroxo-bis{acetato[bis(2-pyridyl)amine]cobalt(II)} acetate tetrahydrate","","- C28 H40 Co2 N6 O14 -","- C28 H40 Co2 N6 O14 -","- C56 H80 Co4 N12 O28 -","2","1","SU6101","Miao Du; Xiao-Jun Zhao","μ-Acetato-di-μ-hydroxo-bis{acetato[bis(2-pyridyl)amine]cobalt(III)} acetate tetrahydrate: a novel mixed-bridged dinuclear Co^III^ complex with bis(2-pyridyl)amine as terminal ligands","Acta Crystallographica Section E","2004","60","6","m785","m787","10.1107/S160053680401133X","","","0.71073","MoKα","","0.0809","0.0482","","","0.1239","0.1418","","","","","","1.004","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2203808","11.425","0.004","9.78","0.004","7.726","0.003","90","","90.967","0.006","90","","863.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H20 Co N2 O12 -","- C12 H20 Co N2 O12 -","- C24 H40 Co2 N4 O24 -","2","0.25","SU6102","Miao Du; Xiao-Jun Zhao; Jian-Hua Guo","Hexaquacobalt(II) bis(isonicotinate <i>N</i>-oxide): a redetermination and analysis of the hydrogen-bonding interactions","Acta Crystallographica Section E","2004","60","6","m788","m790","10.1107/S1600536804011249","","","0.71073","MoKα","","0.0369","0.0359","","","0.0811","0.0817","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203809","8.646","0.005","10.5079","0.0006","10.7934","0.0006","91.477","0.001","111.107","0.001","109.929","0.001","847.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4-nitrophenolato-κ^2^O:O')bis[(2,2'-bipyridine-κ^2^N,N')nitrolead(II)]","","- C32 H24 N8 O12 Pb2 -","- C32 H24 N8 O12 Pb2 -","- C32 H24 N8 O12 Pb2 -","1","0.5","SU6103","Hong-Ping Xiao; Nan-Wen Zhu; Mao-Lin Hu","Bis(μ-4-nitrophenolato-κ^2^<i>O</i>:<i>O</i>')bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nitratolead(II)]","Acta Crystallographica Section E","2004","60","6","m800","m801","10.1107/S1600536804011419","","","0.71073","MoKα","","0.0255","0.0237","","","0.0516","0.0523","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203810","11.05","0.003","11.2116","0.0004","16.3949","0.0006","90","","90","","90","","2031.1","0.6","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N -","- C21 H39 N -","- C84 H156 N4 -","4","1","SU6104","Müller, Kai-Sven; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Tris(cyclohexylmethyl)amine","Acta Crystallographica Section E","2004","60","6","o1100","o1101","10.1107/S1600536804011535","","","0.71073","MoKα","","0.1229","0.0342","","","0.0575","0.0653","","","","","","0.881","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203811","9.442","0.001","5.063","0.001","27.926","0.004","90","","90","","90","","1335","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","trans-[Cu(gly)~2~].4-BrPhOHl","trans-bis(glycinato-N,O)copper(II) 4-bromophenol solvate","","- C10 H13 Br Cu N2 O5 -","- C10 H13 Br Cu N2 O5 -","- C40 H52 Br4 Cu4 N8 O20 -","4","1","SU6106","Bakir, Mohammed; Clarke, Suzanne A.; Hassan, Ishmael; Lancashire, Robert J.; Singh-Wilmot, Marvadeen","<i>trans</i>-Bis(glycinato-κ^2^<i>N,O</i>)copper(II) 4-bromophenol solvate","Acta Crystallographica Section E","2004","60","6","m868","m870","10.1107/S1600536804012541","","","0.71073","MoKα","","0.0611","0.0425","","","0.0946","0.1039","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203812","9.1403","0.0008","12.5346","0.001","14.851","0.0013","109.503","0.003","104.308","0.004","93.099","0.004","1536.6","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl2 O4 Si -","- C38 H26 Cl2 O4 Si -","- C76 H52 Cl4 O8 Si2 -","2","1","SU6108","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Alice T. Y. Ku","2,2'-[(Diphenylsilylene)dioxy]bis(5-chlorobenzophenone)","Acta Crystallographica Section E","2004","60","6","o1094","o1095","10.1107/S1600536804012516","","","0.71073","MoKα","","0.0586","0.0395","","","0.1013","0.1076","","","","","","1.092","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203813","25.073","0.013","5.147","0.004","13.296","0.012","90","","115.64","0.05","90","","1547","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dianilinediiodozinc(II)","","- C12 H14 I2 N2 Zn -","- C12 H14 I2 N2 Zn -","- C48 H56 I8 N8 Zn4 -","4","0.5","TK6156","Rademeyer, Melanie","Dianilinediiodozinc(II)","Acta Crystallographica Section E","2004","60","6","m871","m872","10.1107/S160053680401181X","","","0.71073","MoKα","","0.056","0.041","","","0.101","0.11","","","","","","0.96","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203814","15.976","0.003","9.168","0.004","17.635","0.003","90","","107.213","0.013","90","","2467.3","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 As2 S2 -","- C26 H24 As2 S2 -","- C104 H96 As8 S8 -","4","0.5","TK6162","Davies, Sian C.; Smith, Matt C.; Evans, David J.","1,2-Bis(diphenylthioarsinoyl)ethane","Acta Crystallographica Section E","2004","60","6","m771","m772","10.1107/S1600536804011158","","","0.71069","Mo-Kα","","0.105","0.043","","","0.073","0.097","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203815","4.8686","0.0005","22.688","0.003","10.0658","0.0011","90","","98.223","0.008","90","","1100.4","0.2","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3-pyridyloxy)phthalonitrile","","- C13 H7 N3 O -","- C13 H7 N3 O -","- C52 H28 N12 O4 -","4","1","TK6164","Yazıcı, Serap; Akdemir, Nesuhi; Aǧar, Erbil; Özil, Musa; Şenel, İsmet; Büyükgüngör, Orhan","4-(3-Pyridyloxy)phthalonitrile","Acta Crystallographica Section E","2004","60","6","o1119","o1120","10.1107/S1600536804010797","","","0.71073","MoKα","","0.12","0.04","","","0.041","0.045","","","","","","0.99","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203816","13.342","0.001","15.552","0.001","12.013","0.0008","90","","94.076","0.002","90","","2486.3","0.3","295","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N6 O4 S4 -","- C20 H24 N6 O4 S4 -","- C80 H96 N24 O16 S16 -","4","1","TK6165","Cheng-Xia Tan; Jian-Ming Gu; De-Long Shen; Jian-Quan Weng; De-Fang Fan","Bis[3-ethyl-1-methyl-5-(2-oxothiazolidin-3-ylcarbonyl)pyrazol-4-yl] disulfide","Acta Crystallographica Section E","2004","60","6","o1029","o1030","10.1107/S1600536804011833","","","0.7107","MoKα","","","0.037","","","","0.097","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203817","4.866","0.002","22.435","0.009","6.04","0.002","90","","90.664","0.007","90","","659.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","isopropylglucoheptonamide","N-isopropyl-D-glycero-D-gulo-heptonamide","","- C10 H21 N O7 -","- C10 H21 N O7 -","- C20 H42 N2 O14 -","2","1","TK6166","Metta-Magaña, Alejandro J.; Tlahuext, Hugo; Reyes-Martínez, Reyna","<i>N</i>-Isopropyl-α-glucoheptonamide","Acta Crystallographica Section E","2004","60","6","o1046","o1048","10.1107/S1600536804011821","","","0.71073","MoKα","","0.048","0.044","","","0.11","0.113","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203818","7.1937","0.0006","13.8894","0.0012","14.3709","0.0012","90","","93.271","0.002","90","","1433.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 O10 -","- C30 H34 O10 -","- C60 H68 O20 -","2","0.5","TK6167","Baell, Jonathan B.; Gable, Robert W.; Harvey, Andrew J.","1,6-Bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)hexane","Acta Crystallographica Section E","2004","60","6","o996","o997","10.1107/S1600536804011067","","","0.71073","MoKα","","0.065","0.047","","","0.119","0.131","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203819","15.2175","0.0003","5.297","0.0001","15.8185","0.0003","90","","104.893","0.004","90","","1232.25","0.05","293","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N4 O5 -","- C10 H12 N4 O5 -","- C40 H48 N16 O20 -","4","1","TK6169","Cheng-Xia Tan; Jian-Ming Gu; De-Long Shen; Jian-Quan Weng; De-Fang Fan","3-(5-Ethyl-2-methyl-4-nitro-2<i>H</i>-pyrazole-3-carbonyl)oxazolidin-2-one","Acta Crystallographica Section E","2004","60","6","o1084","o1085","10.1107/S1600536804012280","","","0.7107","MoKα","","","0.064","","","","0.193","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203820","6.6561","0.0002","11.1986","0.0003","11.8739","0.0003","90","","90","","90","","885.07","0.04","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4,4a,5,6,7,9,9a-Octahydrofuro[2,3-f]indolizin-7-one","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","WK6013","Vrábel, Viktor; Kožíšek, Jozef; Langer, Vratislav; Marchalín, Štefan","2,4,4a,5,6,7,9,9a-Octahydrofuro[2,3-<i>f</i>]indolizin-7-one","Acta Crystallographica Section E","2004","60","6","o932","o933","10.1107/S1600536804005483","","","0.71073","MoKα","","0.051","0.041","","","0.107","0.115","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203821","8.3723","0.0018","4.7404","0.0011","9.799","0.002","90","","90","","90","","388.89","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Europium(II) bromide iodide","","- Br Eu I -","- Br Eu I -","- Br4 Eu4 I4 -","4","0.5","WM6017","Liao, Wuping; Liu, Xiaohui; Dronskowski, Richard","Europium(II) bromide iodide","Acta Crystallographica, Section E","2004","60","6","i69","i71","10.1107/S160053680401075X","","","0.71073","MoKα","","0.0595","0.0378","","","0.073","0.0802","","","","","","1.075","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2203822","6.8558","0.0009","7.255","0.001","10.1444","0.0013","90","","90.869","0.003","90","","504.51","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","trisodium yttrium(III) hexachloride","","- Cl6 Na3 Y -","- Cl6 Na3 Y -","- Cl12 Na6 Y2 -","2","0.5","WM6018","Liao, Wuping; Dronskowski, Richard","Trisodium yttrium(III) hexachloride","Acta Crystallographica, Section E","2004","60","6","i72","i73","10.1107/S1600536804011043","","","0.71073","MoKα","","0.0367","0.0272","","","0.0564","0.0591","","","","","","1.024","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203823","7.494","0.0012","13.915","0.0011","18.377","0.0013","90","","90","","90","","1916.3","0.4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","2-[2-(cyanomethoxy)phenoxy]acetonitrile","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","WN6235","Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Er, Mustafa; Ünver, Yasemin; Yavuz, Metin","2-[2-(Cyanomethoxy)phenoxy]acetonitrile","Acta Crystallographica Section E","2004","60","6","o968","o970","10.1107/S1600536804010785","","","0.71073","MoKα","","0.1197","0.0479","","","0.0909","0.1068","","","","","","0.729","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203824","8.133","0.005","15.762","0.005","11.752","0.005","90","0.005","95.231","0.005","90","0.005","1500.2","1.2","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","WN6240","Arıcı, Cengiz; Ülkü, Dinçer; Kırılmış, Cumhur; Koca, Murat; Ahmedzade, Misir","1-(1-Benzofuran-2-yl)-2-mesitylethanone","Acta Crystallographica Section E","2004","60","6","o941","o942","10.1107/S1600536804010116","","","0.71073","MoKα","","","0.058","","","","0.154","","","","","","1.02","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203825","8.6587","0.001","20.5881","0.0019","11.0082","0.0013","90","","100.187","0.009","90","","1931.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzoyl-N-methyl-1,5-diphenyl-1H-pyrazole-3-carboxamide","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","WN6243","Dinçer, Muharrem; Özdemir, Namık; Yıldırım, İsmail; Demir, Elif; Işık, Şamil","4-Benzoyl-<i>N</i>-methyl-1,5-diphenyl-1<i>H</i>-pyrazole-3-carboxamide","Acta Crystallographica Section E","2004","60","6","o946","o948","10.1107/S1600536804010517","","","0.71073","MoKα","","0.1452","0.0581","","","0.1184","0.1326","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203826","6.0743","0.0013","7.2436","0.0016","15.916","0.003","90","","95.334","0.004","90","","697.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-3-hydroxy-1-(4-methoxybenzyl)piperidine-2-carboxamide","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C28 H40 N4 O6 -","2","1","WN6244","Feng, Chen-Guo; Fang, Hua; Huang, Pei-Qiang","(2<i>S</i>,3<i>S</i>)-3-Hydroxy-1-(4-methoxybenzyl)piperidine-2-carboxamide","Acta Crystallographica Section E","2004","60","6","o1075","o1077","10.1107/S1600536804012085","","","0.71073","MoKα","","0.0445","0.0443","","","0.1238","0.124","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203827","8.7869","0.0008","8.8329","0.0008","22.095","0.002","90","","95.21","0.01","90","","1707.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(diisopropylammonium) sulfate","","- C12 H32 N2 O4 S -","- C12 H32 N2 O4 S -","- C48 H128 N8 O16 S4 -","4","1","WN6246","Guido J. Reiß; Judith S. Engel","Bis(diisopropylammonium) sulfate","Acta Crystallographica Section E","2004","60","6","o985","o987","10.1107/S1600536804010645","","","0.71073","MoKα","","0.0821","0.0555","","","0.0902","0.099","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203828","26.46","0.01","5.467","0.002","21.477","0.006","90","","123.93","0.03","90","","2577.8","1.8","150","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 O5 -","- C13 H18 O5 -","- C104 H144 O40 -","8","1","WN6247","Andreas Fischer; Veronica M. Profir","A 2-propanol solvate of (<i>RS</i>)-phenylsuccinic acid","Acta Crystallographica Section E","2004","60","6","o979","o981","10.1107/S160053680401061X","","","0.71073","MoKα","","0.1067","0.0577","","","0.1091","0.1314","","","","","","1.081","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203829","9.6154","0.0007","11.5957","0.001","13.1996","0.0015","66.198","0.008","74.053","0.008","67.858","0.006","1234.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Cl4 N4 O2 P3 -","- C22 H15 Cl4 N4 O2 P3 -","- C44 H30 Cl8 N8 O4 P6 -","2","1","WN6249","Tercan, Barış; Hökelek, Tuncer; Işıklan, Muhammed; İlter, Elif Ece; Kılıç, Zeynel","4,4,6,6-Tetrachloro-4a',8'-dihydrodinaphtho[2,1-<i>c</i>';2,1-<i>g</i>']-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene-1-spiro-1'-[2,5,8a,1]dioxazaphosphanaphthalene","Acta Crystallographica Section E","2004","60","6","o971","o973","10.1107/S1600536804010803","","","0.71073","MoKα","","0.1032","0.0504","","","0.1244","0.1482","","","","","","0.987","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203830","8.856","0.0008","17.4364","0.0019","14.463","0.002","90","","105.457","0.009","90","","2152.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 I3 N2 -","- C18 H23 I3 N2 -","- C72 H92 I12 N8 -","4","1","WN6253","Xuejie Tan; Sixiu Sun; Wentao Yu; Dianxiang Xing; Yonggang Wang; Chenggang Qi","<i>trans</i>-4-[<i>p</i>-(<i>N,N</i>-Diethylamino)styryl]-<i>N</i>-methylpyridinium triiodide","Acta Crystallographica Section E","2004","60","6","o1054","o1056","10.1107/S1600536804011869","","","0.71073","MoKα","","0.077","0.0431","","","0.0874","0.0996","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203831","11.82","0.003","10.175","0.003","24.169","0.007","90","","96.512","0.004","90","","2888","1.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-Di-tert-butyl-2-hydroxybenzaldehyde","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","2","WN6254","Chu, Zhao-Lian; Huang, Wei; Cui, Kai; Gou Shao-Hua","3,5-Di-<i>tert</i>-butyl-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2004","60","6","o1043","o1045","10.1107/S1600536804012036","","","0.71073","MoKα","","0.0793","0.0529","","","0.152","0.165","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203832","8.826","0.002","10.951","0.002","11.043","0.002","90","","101.57","0.02","90","","1045.7","0.4","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyloxycarbonyl-L-Alanyl-L-Leucyl-L-Lactic Acid","","- C17 H30 N2 O7 -","- C17 H30 N2 O7 -","- C34 H60 N4 O14 -","2","1","WW6184","Oku, Hiroyuki; Yamada, Keiichi; Katakai, Ryoichi","An N-protected depsipeptide free acid prepared by direct synthesis without using a terminal-C protecting group: <i>tert</i>-butoxycarbonyl-<small>L</small>-alanyl-<small>L</small>-leucyl-<small>L</small>-lactic acid (Boc-<small>L</small>-Ala-<small>L</small>-Leu-<small>L</small>-Lac-OH)","Acta Crystallographica Section E","2004","60","6","o927","o929","10.1107/S1600536804010189","","","1.5418","CuKα","","","0.068","","","","0.156","","","","","","1.255","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203833","15.348","0.009","5.98","0.003","20.909","0.012","90","","102.488","0.009","90","","1873.7","1.8","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(4-tert-Butylphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole","","- C22 H21 N5 -","- C22 H21 N5 -","- C88 H84 N20 -","4","1","WW6192","Zhang, Shu-ping; Liu, Hui-jun; Shao, Si-chang; Zhang, Ying; Shun, De-guang; Yang, Song; Zhu, Hai-liang","4-(4-tert-Butylphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole","Acta Crystallographica, Section E","2004","60","6","o1113","o1114","10.1107/S1600536804008712","","","0.71073","MoKα","","0.0993","0.051","","","0.1216","0.1466","","","","","","0.957","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203834","22.203","0.001","17.877","0.001","18.487","0.001","90","","90","","90","","7337.9","0.7","296","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","Iodo(1-methyl-2-mercaptoimidazole-κS)bis(triphenylphosphine-κP)copper(I)","","- C40 H36 Cu I N2 P2 S -","- C40 H36 Cu I N2 P2 S -","- C320 H288 Cu8 I8 N16 P16 S8 -","8","1","WW6196","Li, Dan; Luo, Ya-Fang; Wu, Tao; Ng, Seik Weng","Iodo(1-methyl-2-mercaptoimidazole-κ<i>S</i>)bis(triphenylphosphine-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2004","60","6","m726","m727","10.1107/S1600536804010256","","","0.71073","MoKα","","0.086","0.052","","","0.106","0.124","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203835","7.3913","0.0006","9.3377","0.0008","18.643","0.002","90","","94.209","0.002","90","","1283.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Pyridyl)-1H-benzimidazole trihydrate","","- C12 H15 N3 O3 -","- C12 H15 N3 O3 -","- C48 H60 N12 O12 -","4","1","WW6198","Huang, Xiao-Chun; Zhen, Ming-Hua; Ng, Seik Weng","2-(4-Pyridyl)-1<i>H</i>-benzimidazole trihydrate","Acta Crystallographica Section E","2004","60","6","o939","o940","10.1107/S1600536804010244","","","0.71073","MoKα","","0.08","0.05","","","0.124","0.142","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203836","13.2528","0.0009","13.6796","0.0009","29.358","0.002","90","","92.43","0.001","90","","5317.6","0.6","181","2","181","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquabis(tetrahydrofuran)hexakis(trichloroacetato)copper(II)diiron(III) hexane solvate","","- C26 H32 Cl18 Cu Fe2 O16 -","- C26 H32 Cl18 Cu Fe2 O16 -","- C104 H128 Cl72 Cu4 Fe8 O64 -","4","1","WW6199","Ng, Seik Weng","Aquabis(tetrahydrofuran)hexakis(trichloroacetato)copper(II)diiron(III) hexane solvate","Acta Crystallographica Section E","2004","60","6","m738","m740","10.1107/S1600536804010232","","","0.71073","MoKα","","0.129","0.067","","","0.126","0.151","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203837","8.998","0.002","11.741","0.002","15.836","0.003","102.28","0.03","106.11","0.03","90.14","0.03","1567.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Hexa(imidazole)nickel(II) benzene-1,3-dioxyacetate","hexakis(1H-imidazole-κN^3^)nickel(II) (m-phenylenedioxy)diacetate","","- C28 H32 N12 Ni O6 -","- C28 H32 N12 Ni O6 -","- C56 H64 N24 Ni2 O12 -","2","1","WW6205","Gao, Shan; Liu, Ji-Wei; Dong, Yu; Huo, Li-Hua; Zhao, Hui","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) benzene-1,3-dioxyacetate","Acta Crystallographica Section E","2004","60","6","m778","m780","10.1107/S1600536804011328","","","0.71073","MoKα","","0.072","0.044","","","0.105","0.118","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203838","16.564","0.006","6.3","0.002","14.597","0.006","90","","109.73","0.02","90","","1433.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquadiformatodipyridinecobalt(II)","","- C12 H16 Co N2 O6 -","- C12 H16 Co N2 O6 -","- C48 H64 Co4 N8 O24 -","4","0.5","WW6206","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","Diaquadiformatodipyridinecobalt(II)","Acta Crystallographica Section E","2004","60","6","m808","m810","10.1107/S1600536804011572","","","0.71073","MoKα","","0.048","0.045","","","0.124","0.128","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203839","14.842","0.003","14.166","0.003","7.721","0.002","90","","96.23","0.03","90","","1613.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaqua(nitrato-κ^2^O,O')bis(4-pyridone-κO)cobalt(II) nitrate","","- C10 H14 Co N4 O10 -","- C10 H14 Co N4 O10 -","- C40 H56 Co4 N16 O40 -","4","0.5","WW6207","Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Diaqua(nitrato-κ^2^<i>O,O</i>')bis(4-pyridone-κ<i>O</i>)cobalt(II) nitrate","Acta Crystallographica Section E","2004","60","6","m811","m813","10.1107/S1600536804011584","","","0.71073","MoKα","","0.034","0.031","","","0.082","0.083","","","","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203840","6.134","0.001","26.02","0.005","12.028","0.002","90","","102.64","0.03","90","","1873.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexaaquamagnesium(II) benzene-1,3-dioxyacetate trihydrate","","- C10 H26 Mg O15 -","- C10 H26 Mg O15 -","- C40 H104 Mg4 O60 -","4","1","WW6210","Gao, Shan; Huo, Li-Hua; Dong, Yu; Liu, Ji-Wei; Zhao, Hui","Hexaaquamagnesium(II) benzene-1,3-dioxyacetate trihydrate","Acta Crystallographica Section E","2004","60","6","m845","m847","10.1107/S1600536804012176","","","0.71073","MoKα","","0.05","0.039","","","0.092","0.097","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203841","8.425","0.004","11.357","0.002","11.489","0.002","104.56","0.02","80.66","0.02","95.19","0.03","1048.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,6-Diethyl-N,N'-bis(3-methylphenyl)-1,6-dihydro-1,2,4,5-tetrazine- 1,4-dicarboxyamide","","- C22 H26 N6 O2 -","- C22 H26 N6 O2 -","- C44 H52 N12 O4 -","2","1","WW6211","Shi, Hai-Bo; Hu, Wei-Xiao; Rao, Guo-Wu","3,6-Diethyl-<i>N,N</i>'-bis(3-methylphenyl)-1,6-dihydro-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2004","60","6","o1065","o1066","10.1107/S1600536804012103","","","0.71073","MoKα","","0.06","0.035","","","0.0962","0.1101","","","","","","1.029","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203842","6.9831","0.0017","10.235","0.003","11.931","0.003","82.783","0.011","79.961","0.011","85.934","0.012","832","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","Enoxacin hydroiodide","","","- C15 H18 F I N4 O3 -","- C15 H18 F I N4 O3 -","- C30 H36 F2 I2 N8 O6 -","2","1","YA6206","Liang-Cai Yu; Hong Liang; Chun-Shan Zhou; Zhen-Feng Chen; Yong Zhang","Enoxacin hydroiodide","Acta Crystallographica Section E","2004","60","6","o1051","o1053","10.1107/S1600536804011948","","","0.7107","MoKα","","0.053","0.042","","","0.075","0.078","","","","","","1.18","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203843","10.3779","0.0012","10.3151","0.0011","15.2789","0.0013","90","","105.116","0.004","90","","1579","0.3","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","AC6098","Arıcı, Cengiz; Ülkü, Dinçer; Kırılmış, Cumhur; Koca, Murat; Ahmedzade, Misir","1-(3-Amino-1-benzofuran-2-yl)-2-mesitylethanone","Acta Crystallographica Section E","2004","60","7","o1211","o1212","10.1107/S160053680401428X","","","0.71073","MoKα","","","0.054","","","","0.132","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203844","8.9714","0.0002","8.615","0.0002","26.4673","0.0007","90","","99.155","0.002","90","","2019.56","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[1-(Decahydronaphthalen-1-yl)piperidin-4-yl]indolin-2-one","","- C23 H32 N2 O -","- C23 H32 N2 O -","- C92 H128 N8 O4 -","4","1","AC6104","Parrish, Damon A.; Deschamps, Jeffrey R.; Jiang, Faming; Zaveri, Nurulain T.","1-[1-(Decahydronaphthalen-1-yl)piperidin-4-yl]indolin-2-one: one of a novel series of nociceptin receptor ligands:","Acta Crystallographica Section E","2004","60","7","o1253","o1254","10.1107/S1600536804013297","","","1.54178","CuKα","","0.0775","0.0544","","","0.1449","0.1623","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203845","10.5773","0.0013","17.629","0.003","8.0759","0.0009","90.228","0.011","102.521","0.01","81.179","0.011","1452","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 B Li N10 -","- C25 H38 B Li N10 -","- C50 H76 B2 Li2 N20 -","2","1","AC6105","Lisette Hernández; Soraya Taboada; Lindora D'Ornelas; Teresa González; Reinaldo Atencio","(3,5-Dimethylpyrazole)[hydridotris(3,5-dimethylpyrazol-1-yl)borate]lithium 3,5-dimethylpyrazole solvate","Acta Crystallographica Section E","2004","60","7","m979","m981","10.1107/S1600536804014126","","","0.71073","MoKα","","0.0994","0.064","","","0.1763","0.2133","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203846","6.817","0.001","6.817","0.001","19.242","0.003","90","","90","","90","","894.2","0.2","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","Na Mg4 (As O4)3","Sodium tetramagnesium tris(arsenate)","","- As3 Mg4 Na O12 -","- As3 Mg4 Na O12 -","- As12 Mg16 Na4 O48 -","4","0.25","BR6150","Anissa, Haj Abdallah; Brahim, Ayed; Amor, Haddad","NaMg~4~(AsO~4~)~3~","Acta Crystallographica, Section E","2004","60","7","i77","i79","10.1107/S1600536804012772","","","0.71073","MoKα","","0.0206","0.0181","","","0.0444","0.045","","","","","","1.097","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2203847","16.6884","0.0007","10.9585","0.0005","22.0082","0.0009","90","","90","","90","","4024.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[(2,2'-bipyridine)copper(II)]-μ-terephthalato] N,N-dimethylformamide solvate]","","- C21 H19 Cu N3 O5 -","- C21 H19 Cu N3 O5 -","- C168 H152 Cu8 N24 O40 -","8","1","BR6151","Xin-Hua, Li; Hong-Ping, Xiao","<i>catena</i>-Poly[[[(2,2'-bipyridine)copper(II)]-μ-terephthalato] <i>N</i>,<i>N</i>-dimethylformamide solvate]","Acta Crystallographica Section E","2004","60","7","m898","m900","10.1107/S1600536804012784","","","0.71073","MoKα","","0.06","0.0516","","","0.1276","0.1332","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203848","14.251","0.005","9.984","0.003","8.994","0.003","90","","105.305","0.005","90","","1234.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-3-(3-hydroxyphenyl)-1-phenylpropan-1-one","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","BT6430","Zhifang Yu; Jianwei Sun; Bing Zhao; Xiuyan Gu; Zhongzhen Tian","3-Hydroxy-3-(3-hydroxyphenyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2004","60","7","o1135","o1136","10.1107/S1600536804013261","","","0.71073","MoKα","","0.0923","0.0481","","","0.1161","0.1451","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203849","9.328","0.003","13.393","0.003","15.694","0.004","76.951","0.004","75.162","0.004","72.894","0.004","1787.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,7,12-Tris-(4-bromo-butoxy)-3,8,13-trimethoxy- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononene","","- C36 H45 Br3 O6 -","- C36 H45 Br3 O6 -","- C72 H90 Br6 O12 -","2","1","BT6446","Hu, Qing-Ping; Ma, Ming-Liang; Zheng, Xiu-Fang; John, Reiner; Su, Lei","2,7,12-Tris(4-bromobutoxy)-3,8,13-trimethoxy-10,15-dihydro-5<i>H</i>-tribenzo[<i>a</i>,<i>d</i>,<i>g</i>]cyclononene","Acta Crystallographica Section E","2004","60","7","o1178","o1179","10.1107/S1600536804013273","","","0.71073","MoKα","","0.1194","0.058","","","0.1372","0.1633","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203850","8.1693","0.0004","10.343","0.0005","10.6876","0.0005","67.371","0.001","73.176","0.001","86.825","0.001","796.25","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[aquanickel(II)]-di-μ-(4-pyridylsulfanyl)acetato]","","- C14 H14 N2 Ni O5 S2 -","- C14 H14 N2 Ni O5 S2 -","- C28 H28 N4 Ni2 O10 S4 -","2","1","BT6463","Huang, Yong-Qing; Zhang, Hui; Chen, Jian-Gu; Zou, Wei; Ng, Seik Weng","<i>catena</i>-Poly[[aquanickel(II)]-di-μ-(4-pyridylsulfanyl)acetato-κ^6^<i>N</i>:<i>O,O</i>;<i>O,O</i>':<i>N</i>]","Acta Crystallographica Section E","2004","60","7","m933","m934","10.1107/S1600536804013340","","","0.71073","MoKα","","0.0378","0.0351","","","0.0931","0.0954","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203851","15.775","0.001","5.7314","0.0004","16.95","0.001","90","","97.726","0.001","90","","1518.59","0.17","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Poly[[diaquanickel(II)]-μ-(4-pyridysulfanyl)acetato-nickel(II)-tri- μ-(4-pyridysulfanyl)acetato]","","- C28 H28 N4 Ni2 O10 S4 -","- C28 H28 N4 Ni2 O10 S4 -","- C56 H56 N8 Ni4 O20 S8 -","2","0.5","BT6464","Huang, Yong-Qing; Zhang, Hui; Chen, Jian-Gu; Zou, Wei; Ng, Seik Weng","Poly[[diaquanickel(II)]-μ-(4-pyridysulfanyl)acetato-nickel(II)-tri-μ-(4-pyridysulfanyl)acetato]","Acta Crystallographica Section E","2004","60","7","m935","m936","10.1107/S1600536804013352","","","0.71073","MoKα","","0.056","0.048","","","0.118","0.123","","","","","","1.13","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203852","10.32","0.001","10.441","0.001","11.793","0.001","98.878","0.001","90.545","0.002","107.244","0.001","1196.99","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-(1,10-Phenanthrolin-2-yl)-5,6-diphenyl-as-triazinedichlorocopper(II)","","- C27 H17 Cl2 Cu N5 -","- C27 H17 Cl2 Cu N5 -","- C54 H34 Cl4 Cu2 N10 -","2","1","BT6465","Ng, Seik Weng","Rerefinement of dichloro[3-(1,10-phenanthrolin-2-yl)-5,6-diphenyl-1,2,4-triazine]copper(II) as an anhydrous structure","Acta Crystallographica Section E","2004","60","7","m937","m938","10.1107/S1600536804013509","","","0.71073","MoKα","","0.092","0.05","","","0.117","0.136","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203853","8.912","0.001","20.769","0.003","10.608","0.001","90","","79.605","0.002","90","","1931.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2-phenyl-4-[(Z)-(benzylaminophenylmethylene]-2H-pyrazol-3-one","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C96 H84 N12 O4 -","4","1","BT6466","Jiang, Ji-Jun; Lü, Xing-Qiang; Bao, Feng; Kang, Bei-Sheng; Ng, Seik Weng","4-[(<i>Z</i>)-(Benzylamino)phenylmethylene]-5-methyl-2-phenyl-2<i>H</i>-pyrazol-3-one","Acta Crystallographica Section E","2004","60","7","o1149","o1150","10.1107/S1600536804013479","","","0.71073","MoKα","","0.0936","0.0435","","","0.1069","0.1345","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203854","12.479","0.002","12.611","0.002","12.597","0.002","90","","95.963","0.002","90","","1971.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2-Methylpyrazine)trifluoroacetatosilver(I)","","- C7 H6 Ag F3 N2 O2 -","- C7 H6 Ag F3 N2 O2 -","- C56 H48 Ag8 F24 N16 O16 -","8","2","BT6467","Zhu, Hai-Liang; Ng, Seik Weng","μ-2-Methylpyrazine-μ-trifluoroacetato-silver(I)","Acta Crystallographica Section E","2004","60","7","m939","m940","10.1107/S1600536804013510","","","0.71073","MoKα","","0.075","0.055","","","0.157","0.18","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203855","24.991","0.001","7.3516","0.0004","20.958","0.001","90","","94.679","0.001","90","","3837.7","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaqua(1,10-Phenanthroline)[3-phosphonopropionato(2-)]zinc(II) dihydrate","","- C15 H21 N2 O9 P Zn -","- C15 H21 N2 O9 P Zn -","- C120 H168 N16 O72 P8 Zn8 -","8","1","BT6468","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","Zwitterionic diaqua(1,10-phenanthroline)[3-phosphonopropionato(2‒)]zinc(II) dihydrate","Acta Crystallographica Section E","2004","60","7","m941","m942","10.1107/S1600536804013522","","","0.71073","MoKα","","0.0458","0.04","","","0.1158","0.1203","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203856","6.4402","0.0009","18.455","0.003","10.279","0.0014","90","","96.901","0.003","90","","1212.8","0.3","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-[2-(4-methylphenyl)ethenyl]-1,3,2-benzodioxaborole","","- C15 H13 B O2 -","- C15 H13 B O2 -","- C60 H52 B4 O8 -","4","1","BT6469","Clegg, William; Scott, Andrew J.; Wiesauer, Christian; Weissensteiner, Walter; Marder, Todd B.","(<i>E</i>)-2-[2-(4-Methylphenyl)ethenyl]-1,3,2-benzodioxaborole","Acta Crystallographica Section E","2004","60","7","o1172","o1174","10.1107/S1600536804014011","","","0.71073","MoKα","","0.0474","0.0423","","","0.1035","0.1077","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203857","6.757","0.004","7.768","0.004","12.578","0.007","93.581","0.012","98.6","0.016","91.084","0.015","651.2","0.6","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-[2-(4-trifluoromethylphenyl)ethenyl]-1,3,2-benzodioxaborole","","- C15 H10 B F3 O2 -","- C15 H10 B F3 O2 -","- C30 H20 B2 F6 O4 -","2","1","BT6470","Clegg, William; Scott, Andrew J.; Wiesauer, Christian; Weissensteiner, Walter; Marder, Todd B.","(<i>E</i>)-2-{2-[4-(Trifluoromethyl)phenyl]ethenyl}-1,3,2-benzodioxaborole","Acta Crystallographica Section E","2004","60","7","o1175","o1177","10.1107/S1600536804014023","","","0.71073","MoKα","","0.1177","0.0905","","","0.2562","0.2792","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203858","25.939","0.004","13.938","0.003","22.685","0.004","90","","114.05","0.004","90","","7490","2","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H100 Au Cl13 P4 -","- C56 H100 Au Cl13 P4 -","- C224 H400 Au4 Cl52 P16 -","4","0.5","BT6471","Clegg, William; Scott, Andrew J.; Wiesauer, Christian; Weissensteiner, Walter; Marder, Todd B.","Bis[bis(dicyclohexylphosphino)ethane-κ^2^<i>P,P</i>']gold(I) chloride chloroform tetrasolvate","Acta Crystallographica Section E","2004","60","7","m968","m970","10.1107/S1600536804014187","","","0.71073","MoKα","","0.1044","0.0821","","","0.2017","0.2227","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203859","5.459","0.003","8.011","0.003","17.205","0.005","90","","96","0.03","90","","748.3","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C32 H30 N2 O10 -","2","1","BT6472","Anand, Naveen; Koul, Surrinder; Taneja, Subhash C.; Qazi, Ghulam N.; Spiteller, Michael; Sheldrick, William S.; van Almsick, Tobias","(3<i>R</i>,4<i>S</i>)-<i>cis</i>-3-Acetoxy-1-(4-methoxyphenyl)-4-(2-furanyl)azetidin-2-one","Acta Crystallographica Section E","2004","60","7","o1215","o1216","10.1107/S1600536804014540","","","0.71073","MoKα","","0.0446","0.0369","","","0.1001","0.1046","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203860","20.355","0.002","6.5407","0.0004","9.7669","0.0011","90","","98.314","0.013","90","","1286.7","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper(I)chloride-bis(piperidine)","","","- C10 H22 Cl Cu N2 -","- C10 H22 Cl Cu N2 -","- C40 H88 Cl4 Cu4 N8 -","4","1","BT6473","Näther, Christian; Beck, Andreas","Chlorobis(piperidine-κ<i>N</i>)copper(I)","Acta Crystallographica Section E","2004","60","7","m1008","m1009","10.1107/S1600536804015223","","","0.71073","MoKα","","0.0487","0.0343","","","0.0834","0.0894","","","","","","0.974","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203861","6.0986","0.0014","9.893","0.0017","13.424","0.002","78.11","0.15","79.217","0.016","78.599","0.014","767.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","8-aminoquinolinium 4-toluenesulfonate","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C32 H32 N4 O6 S2 -","2","1","BT6474","Graham Smith; Urs D. Wermuth; Peter C. Healy","Quinolin-8-aminium toluene-4-sulfonate","Acta Crystallographica Section E","2004","60","7","o1257","o1259","10.1107/S1600536804014898","","","0.71069","MoKα","","0.0552","0.0415","","","0.1052","0.1241","","","","","","0.832","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203862","10.825","0.001","17.316","0.001","14.428","0.001","90","","109.907","0.001","90","","2542.9","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[μ-sulfato-dicopper(I)]-di-μ-4,4'-bipyridine- 1:1'κ^2^N,N';2:2'κ^2^N,N'] tetrahydrate]","","- C20 H24 Cu2 N4 O8 S -","- C20 H16 Cu2 N4 O8 S -","- C80 H64 Cu8 N16 O32 S4 -","4","0.5","BT6475","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","<i>catena</i>-Poly[[[μ-sulfato-dicopper(I)]-di-μ-4,4'-bipyridine-1:1'κ^2^<i>N,N</i>';2:2'κ^2^<i>N,N</i>'] tetrahydrate]","Acta Crystallographica Section E","2004","60","7","m990","m992","10.1107/S1600536804014801","","","0.71073","MoKα","","0.098","0.066","","","0.193","0.221","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203863","9.7","0.001","22.441","0.003","10.638","0.001","90","","94.583","0.003","90","","2308.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(Z)-(2-Fluorenylamino)phenylmethylene]-5-methyl-2-phenyl-2H-pyrazol-3(4H)-one","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","BT6476","Bao, Feng; Lü, Xing-Qiang; Wu, Qing; Ng, Seik Weng","4-[(<i>Z</i>)-(2-Fluorenylamino)phenylmethylene]-5-methyl-2-phenyl-2<i>H</i>-pyrazol-3(4<i>H</i>)-one","Acta Crystallographica Section E","2004","60","7","o1244","o1245","10.1107/S1600536804014795","","","0.71073","MoKα","","0.0941","0.0422","","","0.0946","0.116","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203864","8.0753","0.0008","13.698","0.001","14.054","0.001","90","","92.639","0.002","90","","1552.9","0.2","167.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","1","CF6346","Rebecca J. Abergel; Mircea Dinca","9,10-Dibromotriptycene","Acta Crystallographica Section E","2004","60","7","o1248","o1249","10.1107/S1600536804013753","","","0.7107","MoKα","","","0.0416","","","","0.0537","","","","","","2.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203865","10.9448","0.0002","15.1406","0.0002","15.6896","0.0003","90","","99.1231","0.0009","90","","2567.05","0.08","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-allyl ergoline-8β-carboxamide","","- C26 H37 N5 O2 -","- C26 H37 N5 O2 -","- C104 H148 N20 O8 -","4","2","CF6348","Bednář, Roman; Cvak, Ladislav; Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana; Jegorov, Alexandr","Cabergoline, form VII","Acta Crystallographica Section E","2004","60","7","o1167","o1169","10.1107/S1600536804013777","","","0.71073","MoKα","","0.0461","0.0374","","0.0503","0.044","0.044","","","","","","1.1277","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2203866","17.644","0.004","8.165","0.002","12.922","0.003","90","","99.99","0.03","90","","1833.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(2-oxidonaphthylmethylidene)ethane-1,2-diamine- κ^4^O,N,N',O']copper(II)","","- C24 H18 Cu N2 O2 -","- C24 H18 Cu N2 O2 -","- C96 H72 Cu4 N8 O8 -","4","1","CF6354","Li, Zong-Xiao; Zhang, Xin-Li","[<i>N,N</i>'-Bis(2-oxidonaphthylmethylidene)ethane-1,2-diamine-κ^4^<i>O,N,N</i>',<i>O</i>']copper(II)","Acta Crystallographica Section E","2004","60","7","m958","m959","10.1107/S1600536804013972","","","0.71073","MoKα","","0.086","0.0673","","","0.145","0.1546","","","","","","1.149","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203867","7.8757","0.001","9.108","0.0011","15.8434","0.0012","90","","100.853","0.009","90","","1116.1","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 N2 O2 S -","- C9 H14 N2 O2 S -","- C36 H56 N8 O8 S4 -","4","1","CF6356","Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D.","Ethyl 2-amino-4-isopropyl-1,3-thiazole-5-carboxylate","Acta Crystallographica Section E","2004","60","7","o1188","o1190","10.1107/S1600536804013984","","","0.71069","MoKα","","0.0556","0.0377","","","0.0999","0.1094","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203868","12.5615","0.0004","10.9659","0.0004","17.2638","0.0005","90","","104.805","0.001","90","","2299.11","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl3 O P -","- C26 H20 Cl3 O P -","- C104 H80 Cl12 O4 P4 -","4","1","CF6357","Zhang, Xingguo; Zhong, Ping; Hu, Mao-lin; Lin, Deqing; Lin, Jing","(2,4-Dichlorobenzoylmethyl)triphenylphosphonium chloride","Acta Crystallographica Section E","2004","60","7","o1200","o1201","10.1107/S1600536804013996","","","0.71073","MoKα","","0.0439","0.0386","","","0.0939","0.0973","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203869","9.6867","0.0019","9.7435","0.0019","10.723","0.002","116.9","0.03","100.35","0.03","99.36","0.03","852.9","0.4","293","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C48 H36 O4 -","2","1","CF6359","Kang, Sung Kwon; Park, Kwanghee Koh; Kim, Wan Cheol; Kim, Sun-Hyuk","2,6-Dimethyl-3,7-diphenylbenzo[1,2-<i>b</i>:4,5-<i>b</i>']difuran","Acta Crystallographica Section E","2004","60","7","o1195","o1197","10.1107/S160053680401400X","","","0.71073","MoKα","","","0.0845","","","","0.2487","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203870","11.6505","0.0005","10.4942","0.0005","19.4752","0.0009","90","","104.799","0.001","90","","2302.1","0.18","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Diazabicyclo[2.2.2]octanium 3,5-dinitrobenzoate hydrate (1/2/1)","","- C20 H22 N6 O13 -","- C20 H22 N6 O13 -","- C80 H88 N24 O52 -","4","1","CI6387","Suchada Chantrapromma; Hoong-Kun Fun","1,4-Diazabicyclo[2.2.2]octanium bis(3,5-dinitrobenzoate) monohydrate","Acta Crystallographica Section E","2004","60","7","o1250","o1252","10.1107/S1600536804015077","","","0.71073","MoKα","","0.0905","0.0533","","","0.115","0.1276","","","","","","0.935","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203871","7.7746","0.0007","8.9911","0.0008","11.3884","0.001","71.226","0.001","86.229","0.001","86.914","0.001","751.64","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Aqua[2-(pyridin-2-ylmethyliminomethyl)phenolato]zinc(II) nitrate monohydrate","","- C13 H15 N3 O6 Zn -","- C13 H15 N3 O6 Zn -","- C26 H30 N6 O12 Zn2 -","2","1","CI6388","Li, Zong-Xiao; Zhang, Xin-Li","Aqua[2-(pyridin-2-ylmethyliminomethyl)phenolato]zinc(II) nitrate monohydrate","Acta Crystallographica Section E","2004","60","7","m1017","m1019","10.1107/S1600536804015405","","","0.71073","MoKα","","0.0538","0.0454","","","0.1253","0.1314","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203872","7.6427","0.0005","12.738","0.0012","15.5045","0.0009","90","","90","","90","","1509.41","0.19","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-3-(2-phenylethyl)benzimidazole-2-selone","","- C17 H18 N2 Se -","- C17 H18 N2 Se -","- C68 H72 N8 Se4 -","4","1","CI6391","Mehmet Akkurt; Sema Öztürk; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","1-Ethyl-3-(2-phenylethyl)benzimidazole-2-selone","Acta Crystallographica Section E","2004","60","7","o1263","o1265","10.1107/S1600536804014977","","","0.71073","MoKα","","0.0672","0.0423","","","0.086","0.097","","","","","","1.027","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203873","13.369","0.005","15.31","0.005","14.69","0.005","90","","90","","90","","3006.7","1.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Ethyl-4-phenylethyl-1,4-dihydroquinoxaline-2,3-dione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","CI6392","Mehmet Akkurt; Sema Öztürk; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","1-Ethyl-4-phenylethyl-1,4-dihydroquinoxaline-2,3-dione","Acta Crystallographica Section E","2004","60","7","o1266","o1268","10.1107/S1600536804014989","","","0.71073","MoKα","","0.1576","0.0481","","","0.0685","0.089","","","","","","0.857","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203874","11.3829","0.0009","11.5359","0.0012","13.0358","0.001","90","","90","","90","","1711.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Cu N4 O6 -","- C12 H28 Cu N4 O6 -","- C48 H112 Cu4 N16 O24 -","4","0.5","CI6393","Uçar, İbrahim; Yeşilel, Okan Zafer; Bulut, Ahmet; Ölmez, Halis; Büyükgüngör, Orhan","Diaquabis(<i>N,N</i>-dimethylethylenediamine-κ^2^<i>N,N</i>')copper(II) squarate","Acta Crystallographica Section E","2004","60","7","m1025","m1027","10.1107/S1600536804015338","","","0.71073","MoKα","","0.0578","0.031","","","0.0782","0.0834","","","","","","0.867","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203875","14.807","0.003","9.7061","0.0018","20.218","0.004","90","","98.589","0.003","90","","2873.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diacetato(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,8- diene)cobalt(III) triiodide","","- C20 H38 Co I3 N4 O4 -","- C20 H38 Co I3 N4 O4 -","- C80 H152 Co4 I12 N16 O16 -","4","1","CV6312","Shu-Sheng Zhang; Shu-Yan Niu; Gui-Fen Jie; Xue-Mei Li; Kui Jiao","Diacetato(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,8-diene)cobalt(III) triiodide","Acta Crystallographica Section E","2004","60","7","m966","m967","10.1107/S1600536804012899","","","0.71073","MoKα","","0.0366","0.0283","","","0.0676","0.0714","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203876","22.489","0.004","6.629","0.001","22.027","0.004","90","","96.3","0.03","90","","3263.9","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cu2 F4 O10 -","- C32 H28 Cu2 F4 O10 -","- C128 H112 Cu8 F16 O40 -","4","0.5","CV6319","Hu, Ren-Zhi; Liu, Zhao-Di; Tan, Min-Yu; Zhu, Hai-Liang","Tetrakis(μ~2~-4-fluorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(ethanol-κ<i>O</i>)copper(II)](<i>Cu{—</i>Cu})","Acta Crystallographica Section E","2004","60","7","m946","m947","10.1107/S1600536804013054","","","0.71073","MoKα","","0.0647","0.0463","","","0.096","0.1005","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203877","8.8151","0.0009","10.6692","0.0011","10.905","0.0011","96.281","0.002","108.032","0.002","108.383","0.002","900.79","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Methyl [8-(3,5-dimethylpyrazol-1-ylmethyl)-4-methyl-2-oxo-2H-chromen-7- yloxy]acetate 0.19-hydrate","","- C19 H20.38 N2 O5.19 -","- C19 H20.38 N2 O5.19 -","- C38 H40.76 N4 O10.38 -","2","1","CV6320","Thamotharan, S.; Parthasarathi, V.; Shinge, Prashant S.; Badami, Bharati; Ravikumar, K.","Methyl [8-(3,5-dimethylpyrazol-1-ylmethyl)-4-methyl-2-oxo-2<i>H</i>-chromen-7-yloxy]acetate 0.19-hydrate","Acta Crystallographica Section E","2004","60","7","o1213","o1214","10.1107/S1600536804014151","","","0.71073","MoKα","","0.0859","0.0591","","","0.1445","0.1614","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","194389","2020-10-21","18:00:00",""
"2203878","13.3716","0.0007","13.0984","0.0008","14.6909","0.0012","90","","110.343","0.004","90","","2412.6","0.3","296","1","296","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diphenylimidazole","4,5-diphenyl-1H-imidazole","","- C15 H12 N2 -","- C15 H12 N2 -","- C120 H96 N16 -","8","2","CV6323","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","A second polymorph of 4,5-diphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2004","60","7","o1182","o1184","10.1107/S160053680401311X","","","0.71073","MoKα","","0.08","0.0626","","","0.172","0.1847","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203879","8.8281","0.001","8.8281","0.001","11.4206","0.001","90","","90","","90","","890.07","0.16","292","2","292","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","bis(tetramethylammonium) tetrachloropalladate(II)","","- C8 H24 Cl4 N2 Pd -","- C8 H24 Cl4 N2 Pd -","- C16 H48 Cl8 N4 Pd2 -","2","0.125","CV6324","Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl; Dušek, Michal; Němec, Ivan","Bis(tetramethylammonium) tetrachloropalladate(II)","Acta Crystallographica Section E","2004","60","7","m924","m926","10.1107/S1600536804013388","","","0.71069","MoKα","","0.0499","0.0221","","","0.0633","0.0747","","","","","","1.115","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203880","13.196","0.004","8.865","0.006","11.33","0.011","90","","90.77","0.06","90","","1325.3","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","1","CV6325","Rybakov, Victor B.; Alekseev, Nikolai V.; Sheludyakov, Vladimir D.; Ivanov, Yury A.; Frolov, Alexei Yu.; Aslanov, Leonid A.","6-Ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline","Acta Crystallographica Section E","2004","60","7","o1145","o1146","10.1107/S1600536804013121","","","1.5418","CuKα","","0.0809","0.053","","","0.1254","0.1425","","","","","","0.994","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203881","6.8881","0.0014","10.081","0.002","15.312","0.003","90","","91.68","0.03","90","","1062.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[1,4-phenylenebis(oxy)]-bis[N-p-methylphenyl(acetamide)]","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","0.5","CV6327","Wen, Yong-Hong; Zhang, Shu-Sheng; Liang, Juan; Li, Xue-Mei","<i>N</i>,<i>N</i>'-Bis(<i>p</i>-methylphenyl)-2,2'-(<i>p</i>-phenylenedioxy)diacetamide","Acta Crystallographica Section E","2004","60","7","o1198","o1199","10.1107/S1600536804013923","","","0.71073","MoKα","","0.0723","0.0624","","","0.178","0.1947","","","","","","1.049","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203882","13.445","0.003","8.6747","0.0017","18.821","0.004","90","","98.04","0.03","90","","2173.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ-acetato-κ^2^O:O')bis[(4-pyridone-κO)copper(II)]","","- C18 H22 Cu2 N2 O10 -","- C18 H22 Cu2 N2 O10 -","- C72 H88 Cu8 N8 O40 -","4","0.5","CV6329","Lu, Zhen-Zhong; Gao, Shan; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(4-pyridone-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2004","60","7","m976","m978","10.1107/S1600536804014278","","","0.71073","MoKα","","0.032","0.028","","","0.076","0.079","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203883","16.019","0.0011","7.057","0.0005","8.7203","0.0006","90","","91.536","0.001","90","","985.44","0.12","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ethylene diammonium dineptunium decafluoride","","","- C2 H10 F10 N2 Np2 -","- C2 H10 F10 N2 Np2 -","- C8 H40 F40 N8 Np8 -","4","0.5","CV6331","Sullens, Tyler A.; Almond, Philip M.; Albrecht-Schmitt, T. E.","Ethylenediammonium decafluorodineptunate(IV)","Acta Crystallographica Section E","2004","60","7","m973","m975","10.1107/S1600536804014217","","","0.71073","MoKα","","0.0157","0.0144","","","0.0327","0.0331","","","","","","1.151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2203884","12.367","0.004","13.192","0.004","22.682","0.007","90","","100.905","0.003","90","","3634","2","130.15","","130.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-α-naphthylacetato-κ^2^O:O')bis[(dimethyl sulfoxide-κO)copper(II)]‒α-naphthylacetic acid‒dimethyl sulfoxide (1/2/2)","","- C80 H80 Cu2 O16 S4 -","- C80 H80 Cu2 O16 S4 -","- C160 H160 Cu4 O32 S8 -","2","0.5","CV6332","Lan-Fen Chen; Jie Zhang; Li-Jun Song; Wen-Guo Wang; Zhan-Feng Ju","Tetrakis(μ-α-naphthylacetato-κ^2^<i>O</i>:<i>O</i>')bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)]‒α-naphthylacetic acid‒dimethyl sulfoxide (1/2/2)","Acta Crystallographica Section E","2004","60","7","m1032","m1034","10.1107/S1600536804015284","","","0.71073","MoKα","","0.0863","0.0703","","","0.129","0.1357","","","","","","1.184","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203885","14.693","0.004","9.221","0.003","16.515","0.005","90","","90","","90","","2237.5","1.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(cis-Cyclohexano-18-crown-6)potassium chlorochromate","(cis-hexadecahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin)potassium chlorochromate","","- C16 H30 Cl Cr K O9 -","- C16 H30 Cl Cr K O9 -","- C64 H120 Cl4 Cr4 K4 O36 -","4","1","CV6334","Kotlyar, Sergey A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.","(<i>cis</i>-Cyclohexano-18-crown-6)potassium chlorochromate(VI)","Acta Crystallographica Section E","2004","60","7","m1015","m1016","10.1107/S1600536804015132","","","0.71073","MoKα","","0.0789","0.035","","","0.0771","0.0839","","","","","","0.935","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203886","7.065","0.001","8.4842","0.001","8.6617","0.0009","98.471","0.007","112.685","0.004","103.098","0.004","450.37","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N4 Ni O6 -","- C18 H18 N4 Ni O6 -","- C18 H18 N4 Ni O6 -","1","0.5","CV6335","Yu Liu; Duan-Jun Xu","<i>catena</i>-Poly[[diaquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)nickel(II)]-μ-fumarato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","7","m1002","m1004","10.1107/S1600536804015144","","","0.71069","MoKα","","0.038","0.034","","","0.082","0.084","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203887","18.8282","0.0006","8.6541","0.0003","19.0766","0.0006","90","","95.583","0.001","90","","3093.62","0.18","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}acetamide","","- C13 H7 Cl2 F3 N4 O -","- C13 H7 Cl2 F3 N4 O -","- C104 H56 Cl16 F24 N32 O8 -","8","1","CV6336","Yang, Zhiping; Zhong, Ping; Guo, Shengrong","<i>N</i>-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5-yl}acetamide","Acta Crystallographica Section E","2004","60","7","o1277","o1278","10.1107/S1600536804015570","","","0.71073","MoKα","","0.0727","0.0639","","","0.1633","0.1703","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203888","13.0087","0.0002","18.5644","0.0003","13.7312","0.0002","90","","102.117","0.001","90","","3242.19","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ^2^-bis(diphenylphosphinoyl)methanido-κ^2^O:O']hexamethyldi-μ^3^-oxo- dialuminium(III) tetrahydrofuran disolvate","","- C64 H76 Al4 O8 P4 -","- C56 H60 Al4 O6 P4 -","- C112 H120 Al8 O12 P8 -","2","0.5","DN6136","Nassar, Roger; Noll, Bruce C.; Henderson, Kenneth W.","Bis[μ^2^-bis(diphenylphosphinoyl)methanido-κ^2^<i>O</i>:<i>O</i>']hexamethyldi-μ^3^-oxo-tetraaluminium(III) tetrahydrofuran disolvate","Acta Crystallographica Section E","2004","60","7","m1023","m1024","10.1107/S1600536804011523","","","0.71073","MoKα","","0.0757","0.0615","","","0.1657","0.1734","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203889","6.6778","0.0013","8.904","0.0017","11.876","0.002","90","","90","","90","","706.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ethylenediammonium chromate","","- C2 H10 Cr N2 O4 -","- C2 H10 Cr N2 O4 -","- C8 H40 Cr4 N8 O16 -","4","1","DN6139","Chebbi, Hammouda; Driss, Ahmed","Chromate d'éthylènediammonium","Acta Crystallographica Section E","2004","60","7","m904","m906","10.1107/S1600536804012747","","","0.71073","MoKα","","0.0257","0.0225","","","0.0656","0.0673","","","","","","1.132","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203890","8.078","0.002","9.604","0.002","10.48","0.003","81.145","0.003","88.341","0.004","75.731","0.003","778.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)] dinitrate hexahydrate","","- C24 H34 Cu2 N6 O16 -","- C24 H34 Cu2 N6 O16 -","- C24 H34 Cu2 N6 O16 -","1","0.5","DN6140","Li-Ping, Lu; Qin, Shi-Dong; Yang, Pin; Zhu, Miao-Li","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] dinitrate hexahydrate","Acta Crystallographica Section E","2004","60","7","m950","m952","10.1107/S1600536804013145","","","0.71073","MoKα","","0.051","0.0448","","","0.1119","0.1153","","","","","","1.021","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203891","28.961","0.006","4.2874","0.0009","20.788","0.004","90","","96.53","0.03","90","","2564.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 F N6 Ni S4 -","- C22 H14 F N6 Ni S4 -","- C88 H56 F4 N24 Ni4 S16 -","4","0.5","DN6141","Hui Zhang; XiaoMing Ren; Jingli Xie; Yizhi Li; Qingjin Meng","1-(3-Fluorobenzyl)pyridinium bis(maleonitriledithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III) acetonitrile solvate","Acta Crystallographica Section E","2004","60","7","m960","m962","10.1107/S1600536804014060","","","0.71073","MoKα","","0.0509","0.0444","","","0.1474","0.1494","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2203892","5.8032","0.0003","21.161","0.001","10.6863","0.0005","90","","90.748","0.001","90","","1312.18","0.11","293","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br O2 S -","- C14 H9 Br O2 S -","- C56 H36 Br4 O8 S4 -","4","1","DN6143","Xiu-rong Hu; Jian-Ming Gu; Mao-Sheng Xu","2-(Benzenesulfonyl)-1-(4-bromophenyl)ethyne","Acta Crystallographica Section E","2004","60","7","o1224","o1225","10.1107/S160053680401462X","","","0.7107","MoKα","","","0.03","","","","0.069","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203893","5.8501","0.0004","14.721","0.0009","15.2578","0.001","90","","90","","90","","1313.99","0.15","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(2-{pyridyl-2-yl}ethyl)hydroxylamine","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","DN6145","Bjernemose, Jens K.; Bond, Andrew D.","<i>N</i>,<i>N</i>-Bis[2-(2-pyridyl)ethyl]hydroxylamine","Acta Crystallographica Section E","2004","60","7","o1143","o1144","10.1107/S1600536804013534","","","0.7107","MoKα","","0.0423","0.034","","","0.0853","0.0893","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203894","8.764","0.012","12.087","0.014","21.07","0.04","97.48","0.09","93.12","0.1","91.89","0.1","2208","6","393","2","393","2","","","","","","","","4","P -1","-P 1","2","","2-[4-(Dimethylamino)phenyl]-4,5-diphenyl-1H-imidazole isopropyl alcohol solvate","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C104 H116 N12 O4 -","4","2","DN6147","Martinez, Hassan; Puschmann, Horst; Howard, Judith A.K.; Acevedo, Jorge; Au-Alvarez, Oscar","2-[4-(Dimethylamino)phenyl]-4,5-diphenyl-1<i>H</i>-imidazole isopropanol solvate","Acta Crystallographica Section E","2004","60","7","o1229","o1230","10.1107/S1600536804014503","","","0.71073","MoKα","","0.0888","0.0468","","","0.1046","0.119","","","","","","0.853","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203895","4.9695","0.0005","13.4392","0.0012","19.2749","0.0018","90","","90.253","0.002","90","","1287.3","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-histidine DL-tartrate","","","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","- C40 H60 N12 O32 -","4","1","DN6150","Johnson, M. N.; Feeder, N.","<small>DL</small>-Histidine <small>DL</small>-tartrate","Acta Crystallographica Section E","2004","60","7","o1273","o1274","10.1107/S1600536804015296","","","0.71073","MoKα","","0.0584","0.0435","","","0.1133","0.1184","","","","","","1.023","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203896","8.1065","0.0003","9.8767","0.0002","12.4936","0.0005","98.638","0.002","99.295","0.002","113.606","0.001","878.66","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetrapotassium bis(glycine)hexacosaoxooctamolybdenum(VI) hexahydrate","","- C4 H22 K4 Mo8 N2 O36 -","- C4 H10 K4 Mo8 N2 O36 -","- C4 H10 K4 Mo8 N2 O36 -","1","0.5","HB6046","Xiao-Yuan Wu; Jiu-Hui Liu; Quan-Zheng Zhang; Xiang He; Shu-Mei Chen; Can-Zhong Lu","A polyoxomolybdate coordinated by glycine ligands: K~4~[Mo~8~O~26~(NH~3~CH~2~COO)~2~]·6H~2~O","Acta Crystallographica Section E","2004","60","7","m921","m923","10.1107/S160053680401308X","","","0.71073","MoKα","","0.0476","0.0413","","","0.1053","0.1118","","","","","","1.052","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00",""
"2203897","11.84","0.0002","10.319","0.0002","16.5919","0.0004","90","","107.772","0.0009","90","","1930.41","0.07","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H19 N2 O19 S3 U2 -","- C4 H19 N2 O19 S3 U2 -","- C16 H76 N8 O76 S12 U8 -","4","1","HB6048","Doran, Michael B.; Norquist, Alexander J.; Stuart, Clair L.; O'Hare, Dermot","(C~8~H~26~N~4~)~0.5~[(UO~2~)~2~(SO~4~)~3~(H~2~O)]·2H~2~O, an organically templated uranyl sulfate with a novel layer type","Acta Crystallographica Section E","2004","60","7","m996","m998","10.1107/S1600536804014941","","","0.71073","MoKα","","0.0356","0.0251","","0.0591","0.0552","0.0552","","","","","","0.9792","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203898","10.0007","0.0014","12.9573","0.0017","16.396","0.003","90","","96.872","0.011","90","","2109.4","0.6","100","3","100","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 B N O6 -","- C24 H22 B N O6 -","- C96 H88 B4 N4 O24 -","4","1","HB6050","R. Angharad Baber; Jonathan P. H. Charmant; Jonathan D. Moore; Nicholas C. Norman; A. Guy Orpen","4-Methylpyridinium bis(pyrocatecholato-κ^2^<i>O,O</i>')borate catechol solvate","Acta Crystallographica Section E","2004","60","7","o1140","o1142","10.1107/S1600536804013108","","","0.71073","MoKα","","0.0575","0.045","","","0.1034","0.1096","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203899","12.2498","0.0002","16.0805","0.0005","21.5391","0.0006","90","","96.944","0.002","90","","4211.71","0.19","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 B Mn N10 O2 -","- C48 H38 B Mn N10 O2 -","- C192 H152 B4 Mn4 N40 O8 -","4","1","HB6051","Huh, Seong; Youm, Kyong-Tae; Lough, Alan. J.","Aqua[η^1^-dihydrobis(1,2,4-triazolyl)borato](5,10,15,20-<i>meso</i>-tetraphenylporphyrinato-κ^4^<i>N</i>)manganese(III) monohydrate","Acta Crystallographica Section E","2004","60","7","m895","m897","10.1107/S1600536804012905","","","0.71073","MoKα","","0.0805","0.0441","","","0.0956","0.1049","","","","","","1.068","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2203900","29.2584","0.0004","12.4252","0.0002","21.724","0.0003","90","","118.355","0.0005","90","","6950.05","0.18","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{(carbonyl)(acetonitrilo)(μ~2~-O)(P)(dibenzo-[d,f]-2,2,4,4-tetra-tert-butyl- [1,3,2]dioxa-phosphito)}-rhodium(I)-dimer ∼1.5 dichloromethane solvate","","- C62 H86 N2 O8 P2 Rh2 -","- C62 H86 N2 O8 P2 Rh2 -","- C248 H344 N8 O32 P8 Rh8 -","4","0.5","HB6056","Tooke, Duncan M.; Mills, Allison M.; Spek, Anthony L.; van der Vlugt, Jarl Ivar; Vogt, Dieter","Bis[μ-3,3',5,5'-tetra-<i>tert</i>-butylbiphenyl-2,2'-diyl phosphonato(1‒)]bis[(acetonitrile)carbonylrhodium(I)] dichloromethane sesquisolvate","Acta Crystallographica Section E","2004","60","7","m943","m945","10.1107/S1600536804013406","","","0.71073","MoKα","","0.0673","0.0434","","","0.0911","0.0981","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203901","13.4711","0.0005","10.2873","0.0004","19.2982","0.0006","90","","103.719","0.001","90","","2598.07","0.16","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N7 Ni O6 -","- C25 H27 N7 Ni O6 -","- C100 H108 N28 Ni4 O24 -","4","1","HB6057","Jian-Rong Su; Kai-Liang Yin; Duan-Jun Xu","Tris(benzimidazole)(iminodiacetato)nickel(II) dihydrate","Acta Crystallographica Section E","2004","60","7","m1020","m1022","10.1107/S1600536804014035","","","0.71073","MoKα","","0.063","0.043","","","0.087","0.093","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203902","10.8736","0.0002","10.0773","0.0002","11.7098","0.0003","90","","116.942","0.0009","90","","1143.86","0.04","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H21 Cl Cu N2 O P -","- C25 H21 Cl Cu N2 O P -","- C50 H42 Cl2 Cu2 N4 O2 P2 -","2","1","HB6058","Qian-Yong Cao; Wen-Fu Fu","Chloro[(hydroxymethyl)diphenylphosphine-κ<i>P</i>](1,10-phenanthroline-κ^2^<i>N,N</i>')copper(I)","Acta Crystallographica Section E","2004","60","7","m987","m989","10.1107/S1600536804014771","","","0.71073","MoKα","","0.0472","0.0313","","","0.0675","0.0723","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203903","10.9714","0.0009","7.7711","0.0008","14.3786","0.0011","90","","101.464","0.004","90","","1201.46","0.18","298","1","298","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-1α,2α-epoxy-3α-hydroxy-5α-spirostan-6-one","","- C27 H40 O5 -","- C27 H40 O5 -","- C54 H80 O10 -","2","1","HG6053","Castro-Méndez, Albina; Bernès, Sylvain; Sandoval-Ramírez, Jesús","(25<i>R</i>)-1α,2α-Epoxy-3α-hydroxy-5α-spirostan-6-one","Acta Crystallographica Section E","2004","60","7","o1133","o1134","10.1107/S1600536804013467","","","0.71073","MoKα","","0.0678","0.0422","","","0.0947","0.1142","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203904","6.8847","0.0012","9.4841","0.0017","26.48","0.005","90","","90","","90","","1729","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,4S,5R,7aS,1'R,2a'S,6'S,6a'S)-5-(2',5'-dioxo-2a'-methyl-6', 6a'-epoxylperhydroinden-1'-yl)-3a,4-epoxy-5-hydroxy-7a-methyl- perhydro-1H-inden-1-one","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","HG6055","Shi, Hai-Jian; Li, Yi-Zhi; Hu, Yue-Fei; Hu, Hong-Wen","(3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>S</i>,1'<i>R</i>,2a'<i>S</i>,6'<i>S</i>,6a'<i>S</i>)-5-(2',5'-Dioxo-2a'-methyl-6',6a'-epoxyperhydroinden-1'-yl)-3a,4-epoxy-5-hydroxy-7a-methylperhydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2004","60","7","o1275","o1276","10.1107/S1600536804014849","","","0.71073","MoKα","","0.0828","0.0596","","","0.1321","0.1411","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203905","5.3608","0.0011","25.62","0.005","11.554","0.002","90","","98.133","0.005","90","","1570.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-n-Butyloxyphenyl)-2-(2-mercaptoethyl)-1,2,4-triazole-3-thione","","- C15 H18 N4 O S -","- C15 H18 N4 O S -","- C60 H72 N16 O4 S4 -","4","1","HG6056","Shi, Hai-Jian; Li, Yi-Zhi; Hu, Hong-Wen","5-(4-<i>n</i>-Butyloxyphenyl)-2-(2-mercaptoethyl)-1,2,4-triazole-3-thione","Acta Crystallographica Section E","2004","60","7","o1246","o1247","10.1107/S1600536804014722","","","0.71073","MoKα","","0.0689","0.0549","","","0.1366","0.1443","","","","","","0.931","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203906","9.6398","0.0003","11.5164","0.0004","17.1539","0.0005","90","","90","","90","","1904.35","0.1","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C88 H112 O20 -","4","1","HG6058","Rodrigues, Luciano Pereira; Rubinger, Mayura M. M.; Piló-Veloso, Dorila; Malta, Valéria Rodrigues dos Santos; Guilardi, Silvana","6α-Acetoxyvouacapan-7β,17β-lactone","Acta Crystallographica Section E","2004","60","7","o1208","o1210","10.1107/S1600536804014394","","","0.71073","MoKα","","","0.0466","","","","0.1167","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203907","8.4348","0.0015","13.635","0.002","13.842","0.002","90","","101.606","0.003","90","","1559.4","0.4","294","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N O2 P -","- C16 H20 N O2 P -","- C64 H80 N4 O8 P4 -","4","1","HG6060","Bod, Henriëtte de; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred","(<i>N,N</i>-Diethylamino)(2-hydroxyphenyl)phenylphosphine oxide","Acta Crystallographica Section E","2004","60","7","o1241","o1243","10.1107/S1600536804014850","","","0.71073","MoKα","","","0.0568","","","","0.1448","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203908","7.0734","0.0016","9.2564","0.0016","15.704","0.004","90","","102.755","0.018","90","","1002.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Nitroso-2-phenylimidazo[1,2-a]pyrimidine","","- C12 H8 N4 O -","- C12 H8 N4 O -","- C48 H32 N16 O4 -","4","1","LH6216","Anaflous, Abderahmane; Benchat, Nour-Eddine; Ben-Hadda, Taibi; El Bali, Brahim; Bolte, Michael","3-Nitroso-2-phenylimidazo[1,2-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2004","60","7","o1131","o1132","10.1107/S1600536804011699","","","0.71073","MoKα","","0.0981","0.0541","","","0.1265","0.1401","","","","","","0.875","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203909","7.087","0.001","21.023","0.002","10.019","0.001","90","","99.042","0.009","90","","1474.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl N2 O2 -","- C13 H19 Cl N2 O2 -","- C52 H76 Cl4 N8 O8 -","4","1","LH6217","Ton, Quoc Cuong; Bolte, Michael","<i>N</i>-Benzoyl-<i>N</i>'-(1,1-dimethyl-3-oxobutyl)hydrazine hydrochloride","Acta Crystallographica Section E","2004","60","7","o1129","o1130","10.1107/S1600536804011778","","","0.71073","MoKα","","0.0434","0.0299","","","0.0716","0.0747","","","","","","0.954","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203910","6.549","0.005","8.091","0.006","11.354","0.008","78.79","0.06","79.7","0.06","73.76","0.06","561.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(benzylammonium) tetraaquabis(sulfato)cuprate(II)","","- C14 H28 Cu N2 O12 S2 -","- C14 H28 Cu N2 O12 S2 -","- C14 H28 Cu N2 O12 S2 -","1","0.5","LH6222","Rademeyer, Melanie","Bis(benzylammonium) tetraaquabis(sulfato)cuprate(II)","Acta Crystallographica Section E","2004","60","7","m993","m995","10.1107/S1600536804013303","","","0.71073","MoKα","","0.0373","0.0326","","","0.0878","0.0915","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203911","18.1209","0.0013","19.8137","0.0014","25.2396","0.0017","90","","90","","90","","9062.1","1.1","198","2","198","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,11-bis(formyl)-25,26,27,28-tetra-benzoxycalix[4]arene","5,11-bis(formyl)-25,26,27,28-tetra-benzoxycalix[4]arene","","- C58 H48 O6 -","- C58 H48 O6 -","- C464 H384 O48 -","8","1","LH6225","Andreas Decken; Pierre D. Harvey; Jasmin Douville","5,17-Diformyl-25,26,27,28-tetrabenzyloxycalix[4]arene: functionalization of the upper rim of a calix[4]arene","Acta Crystallographica Section E","2004","60","7","o1170","o1171","10.1107/S1600536804013595","","","0.71073","MoKα","","0.1479","0.0527","","","0.1401","0.1603","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203912","5.6991","0.0004","15.2962","0.001","8.7352","0.0008","90","","93.743","0.0016","90","","759.86","0.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 S -","- C7 H8 N2 S -","- C28 H32 N8 S4 -","4","1","LH6227","Yi-Hong Shen; Duan-Jun Xu","Phenylthiourea","Acta Crystallographica Section E","2004","60","7","o1193","o1194","10.1107/S1600536804013947","","","0.71073","MoKα","","0.049","0.037","","","0.086","0.091","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203913","5.2765","0.0006","6.2163","0.0008","38.109","0.004","90","","90","","90","","1250","0.3","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl N-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate","","- C11 H21 N O4 -","- C11 H21 N O4 -","- C44 H84 N4 O16 -","4","1","LH6229","Ober, Matthias; Marsch, Michael; Harms, Klaus; Carell, Thomas","A carbocyclic analogue of a protected β-<small>D</small>-2-deoxyribosylamine","Acta Crystallographica Section E","2004","60","7","o1191","o1192","10.1107/S1600536804013959","","","0.71073","MoKα","","0.0345","0.0308","","","0.0814","0.0826","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203914","12.167","0.002","17.195","0.002","19.128","0.002","90","","107.64","0.002","90","","3813.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Bis{1-[3-(cyclohexylamino)propyliminomethyl]-2-naphtholato- κ^3^O,N,N'}cobalt(III) perchlorate","","- C40 H50 Cl Co N4 O6 -","- C40 H50 Cl Co N4 O6 -","- C160 H200 Cl4 Co4 N16 O24 -","4","1","LH6230","Li, Su-Yue; You, Zhong-Lu; Chen, Bo; Lin, Yong-Shan; Xiong, Zhong-Duo; Zhu, Hai-Liang","<i>trans</i>-Bis{1-[3-(cyclohexylamino)propyliminomethyl]-2-naphtholato-κ^3^<i>O,N,N</i>'}cobalt(III) perchlorate","Acta Crystallographica Section E","2004","60","7","m999","m1001","10.1107/S1600536804014990","","","0.71073","MoKα","","0.1493","0.1049","","","0.2074","0.231","","","","","","1.162","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203915","8.476","0.003","8.87","0.003","10.376","0.004","78.886","0.006","79.375","0.006","89.483","0.006","752.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","N-9H-Fluoren-9-ylidene-3,4-dimethyaniline","","- C21 H17 N -","- C21 H17 N -","- C42 H34 N2 -","2","1","LH6231","Glagovich, Neil M.; Reed, Elizabeth M.; Crundwell, Guy; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.","<i>N</i>-9<i>H</i>-Fluoren-9-ylidene-3,4-dimethylaniline","Acta Crystallographica Section E","2004","60","7","o1269","o1270","10.1107/S1600536804015089","","","0.71073","MoKα","","0.0567","0.0543","","","0.1439","0.1467","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203916","18.436","0.008","6.551","0.003","24.274","0.01","90","","90","","90","","2932","2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Piperazinediium 3-nitrophthalate dihydrate","","- C12 H19 N3 O8 -","- C12 H19 N3 O8 -","- C96 H152 N24 O64 -","8","2","LH6232","Guo, Ming-Lin","Piperazinediium 3-nitrophthalate dihydrate","Acta Crystallographica Section E","2004","60","7","o1236","o1238","10.1107/S1600536804014692","","","0.71073","MoKα","","0.0808","0.0559","","","0.1431","0.1607","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203917","7.0137","0.0002","10.3135","0.0004","11.5107","0.0005","107.02","0.005","91.224","0.004","100.854","0.008","779.33","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","10-(2-methylbenzylidene)anthrone","","- C22 H16 O -","- C22 H16 O -","- C44 H32 O2 -","2","1","LH6233","Guo-Wu Rao; Wei-Xiao Hu; Wei Zhou","10-(2-Methylbenzylidene)anthrone","Acta Crystallographica Section E","2004","60","7","o1234","o1235","10.1107/S1600536804014709","","","0.71073","MoKα","","0.081","0.0558","","","0.1478","0.171","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203918","8.474","0.0011","10.277","0.0012","19.472","0.004","95.817","0.006","99.748","0.007","114.116","0.008","1497.7","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis[2,3-bis(4-chlorophenyl)propenoato-κ^2^O,O']dimethyltin(IV)","Bis[2,3-bis(4-chlorophenyl)propenoato-κ^2^O,O']dimethyltin(IV)","","- C32 H24 Cl4 O4 Sn -","- C32 H24 Cl4 O4 Sn -","- C64 H48 Cl8 O8 Sn2 -","2","1","LH6234","Sadiq-ur-Rehman; Leung, Bonnie On-On; Ali, Saqib; Badshah, Amin; Parvez, Masood","Bis[2,3-bis(4-chlorophenyl)propenoato-κ^2^<i>O,O</i>']dimethyltin(IV)","Acta Crystallographica Section E","2004","60","7","m984","m986","10.1107/S1600536804014710","","","0.71073","MoKα","","0.045","0.032","","","0.07","0.075","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203919","10.873","0.001","11.785","0.001","18.116","0.001","90","","93.56","0.01","90","","2316.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","octasodium hexatungstoplatinate(IV) hexaicosahydrate","octasodium hexatungstoplatinate(IV) hexaicosahydrate","","- H52 Na8 O50 Pt W6 -","- Na8 O50 Pt W6 -","- Na16 O100 Pt2 W12 -","2","0.5","MG6028","Lee, Uk; Joo, Hea-Chung","Octasodium hexatungstoplatinate(IV) hexaicosahydrate, Na~8~[PtW~6~O~24~]·26H~2~O","Acta Crystallographica Section E","2004","60","7","i86","i88","10.1107/S1600536804014618","","","0.71069","MoKα","","0.0801","0.0512","","","0.0763","0.0816","","","","","","1.668","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203920","13.708","0.003","5.545","0.009","15.018","0.006","90","","109.94","0.02","90","","1073.1","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(4-Pyridyl)-5-(2-pyridyl)pyrazole","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","NA6325","Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Nuriev, Vyatcheslav N.; Vatsadze, Sergey Z.; Zyk, Nikolay V.","3-(4-Pyridyl)-5-(2-pyridyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2004","60","7","o1231","o1233","10.1107/S1600536804013625","","","0.71073","MoKα","","0.1388","0.054","","","0.1268","0.1525","","","","","","0.944","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203921","8.7388","0.0008","13.7957","0.0013","14.4499","0.0014","90","","105.62","0.002","90","","1677.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Azido[bis(2-oxidophenylmethyleneimino)propane-1,2-diamine(2-)]iron(III)","","- C17 H16 Fe N5 O2 -","- C17 H16 Fe N5 O2 -","- C68 H64 Fe4 N20 O8 -","4","1","NA6332","Liu, Zhao-Di; Tan, Min-Yu; Zhu, Hai-Liang","Azido[bis(2-oxidophenylmethyleneimino)propane-1,2-diamine(2‒)]iron(III)","Acta Crystallographica Section E","2004","60","7","m910","m911","10.1107/S1600536804013005","","","0.71073","MoKα","","0.1136","0.0718","","","0.1996","0.2253","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203922","8.141","0.002","11.822","0.003","14.934","0.004","90","","90.217","0.005","90","","1437.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Cl2 N6 O6 Ru2 S6 -","- C12 H36 Cl2 N6 O6 Ru2 S6 -","- C24 H72 Cl4 N12 O12 Ru4 S12 -","2","0.5","NA6335","Li-Xia Bai; Wei Han; Wen-Zhen Wang; Xin Liu; Shi-Ping Yan; Dai-Zheng Liao","A new dinuclear ruthenium complex bridged by azide: [Ru~2~Cl~2~(μ-1,3-N~3~)~2~(Me~2~SO)~6~]","Acta Crystallographica Section E","2004","60","7","m953","m954","10.1107/S1600536804013686","","","0.71073","MoKα","","0.0485","0.0303","","","0.0602","0.0654","","","","","","1.005","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2203923","7.2956","0.0004","14.8719","0.0008","14.7849","0.0007","90","","95.171","0.001","90","","1597.62","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","1","NA6336","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","1-Allyloxy-2-bromo-3-(3-phenylallyloxy)benzene","Acta Crystallographica Section E","2004","60","7","o1147","o1148","10.1107/S1600536804013133","","","0.71073","MoKα","","0.0641","0.0407","","","0.1055","0.1113","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203924","9.3421","0.0014","6.6804","0.0011","17.297","0.006","90","","106.82","0.02","90","","1033.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-phenylimidocarbonimidic diamide hydrochloride","","- C8 H12 Cl N5 -","- C8 H12 Cl N5 -","- C32 H48 Cl4 N20 -","4","1","NA6338","Gustavo Portalone; Marcello Colapietro","Redetermination of phenylbiguanide hydrochloride","Acta Crystallographica Section E","2004","60","7","o1165","o1166","10.1107/S1600536804013807","","","0.71069","MoKα","","0.063","0.0626","","","0.1909","0.192","","","","","","1.137","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203925","8.0523","0.0016","10.17","0.002","17.116","0.005","90","","112.63","0.03","90","","1293.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-(1,3-dithiolane-2-ylidene)-1-phenyl-2-(1,2,4-triazol-1-yl)]ethanone","","- C13 H11 N3 O S2 -","- C13 H11 N3 O S2 -","- C52 H44 N12 O4 S8 -","4","1","NA6339","Jian, Fang-Fang; Xu, Liang-Zhong; Shi, Jian-Gang; Xiao, Hai-Lian","2-(1,3-Dithiolan-2-ylidene)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanone","Acta Crystallographica Section E","2004","60","7","o1204","o1205","10.1107/S1600536804013601","","","0.71073","MoKα","","0.0945","0.0469","","","0.0824","0.1032","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203926","7.6672","0.0006","8.3085","0.0007","14.696","0.0012","97.96","0.002","93.595","0.002","95.405","0.001","920.31","0.13","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","{4-Chloro-2'-[(3-methoxy-2- oxidophenyl)methylidene]benzohydrazido}(pyridine)copper(II)","","- C20 H16 Cl Cu N3 O3 -","- C20 H16 Cl Cu N3 O3 -","- C40 H32 Cl2 Cu2 N6 O6 -","2","1","NA6340","Ali, Hapipah; Khamis, Nur Ashikin; Basirun, W. Jefri; Yamin, Bohari M.","{4-Chloro-2'-[(3-methoxy-2-oxidophenyl)methylidene]benzohydrazido}(pyridine)copper(II)","Acta Crystallographica Section E","2004","60","7","m982","m983","10.1107/S1600536804014357","","","0.71073","MoKα","","0.027","0.026","","","0.075","0.076","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203927","14.376","0.006","20.576","0.008","11.383","0.004","90","","90.301","0.007","90","","3367","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Cd N3 O9 -","- C35 H31 Cd N3 O9 -","- C140 H124 Cd4 N12 O36 -","4","1","NA6341","Ren, Hua-Wei; Liu, Zhao-Di; Qu, Yang; Tan, Min-Yu; Zhu, Hai-Liang","Diaqua(2,2'-bipyridyl)(2,2'-dihydroxy-[1,1']-binaphthalene-3,3'-dicarboxylato)cadmium(II) <i>N,N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2004","60","7","m948","m949","10.1107/S1600536804013662","","","0.71073","MoKα","","0.1291","0.0485","","","0.073","0.0842","","","","","","0.957","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203928","9.3895","0.0019","9.6613","0.0019","10.929","0.002","111.53","0.03","100.46","0.03","102.08","0.03","864.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 F N4 O S -","- C19 H15 F N4 O S -","- C38 H30 F2 N8 O2 S2 -","2","1","NA6343","Liangzhong Xu; Chongyi Zhu; Guanping Yu; Fangfang Jian","1-(4-Fluorophenyl)-2-(3-phenylthiazolidin-2-ylidene)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone","Acta Crystallographica Section E","2004","60","7","o1180","o1181","10.1107/S1600536804013881","","","0.71073","MoKα","","0.1025","0.0733","","","0.1391","0.1521","","","","","","1.106","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203929","8.239","0.003","9.115","0.003","12.42","0.01","111.2","0.04","93.8","0.04","96.76","0.03","857.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorophenacyl)-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin- 2(1H)-one","","- C20 H22 Cl N O2 -","- C20 H22 Cl N O2 -","- C40 H44 Cl2 N2 O4 -","2","1","NA6344","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","1-(4-Chlorophenacyl)-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","7","o1219","o1221","10.1107/S1600536804014163","","","0.71073","MoKα","","0.0835","0.0497","","","0.1221","0.1371","","","","","","1.054","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2203930","9.5667","0.0016","7.3784","0.0012","20.85","0.004","90","","95.34","0.01","90","","1465.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(4-bromophenacyl) piridone","N-(4-Bromophenacyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-2-carbonitrile","","- C16 H13 Br N2 O2 -","- C16 H13 Br N2 O2 -","- C64 H52 Br4 N8 O8 -","4","1","NA6345","Dmitry V. Albov; Eugenia I. Turubanova; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","<i>N</i>-(4-Bromophenacyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-2-carbonitrile","Acta Crystallographica Section E","2004","60","7","o1222","o1223","10.1107/S1600536804014175","","","1.5418","CuKα","","0.0491","0.039","","","0.1013","0.1069","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203931","9.5874","0.0005","9.4468","0.0005","19.408","0.0011","90","","94.293","0.001","90","","1752.86","0.16","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 N2 O4 P2 S4 Zn -","- C28 H48 N2 O4 P2 S4 Zn -","- C56 H96 N4 O8 P4 S8 Zn2 -","2","0.5","NG6035","Chian-Sing Lai; Sikai Liu; Tiekink, Edward R. T.","<i>catena</i>-Poly[[bis(<i>O,O</i>'-diisobutyldithiophosphato-κ^2^<i>S,S</i>')zinc(II)]-μ-1,2-bis(4-pyridyl)ethane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","7","m1005","m1007","10.1107/S160053680401520X","","","0.71069","MoKα","","0.046","0.036","","","0.089","0.093","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203932","9.058","0.003","12.922","0.005","17.826","0.006","84.966","0.005","80.597","0.005","84.398","0.005","2043.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquatris(nicotinato-κO)bis(1,10-phenanthroline-κ^2^N,N')praseodymium(III) trihydrate","","- C42 H38 N7 O11 Pr -","- C42 H38 N7 O11 Pr -","- C84 H76 N14 O22 Pr2 -","2","1","OB6368","Yue, Zheng-Yu; Jin, Hui-Jie; Yan, Peng-Fei; Gao, Po","Diaquatris(nicotinato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')praseodymium(III) trihydrate","Acta Crystallographica Section E","2004","60","7","m890","m892","10.1107/S1600536804012711","","","0.71073","MoKα","","0.0435","0.0315","","","0.0612","0.0646","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203933","12.472","0.007","17.6737","0.0013","17.0718","0.0012","90","","90","","90","","3763","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Ethyl-5-(4-methoxybenzoyl-4-(4-methoxyphenyl)pyrimidine-2(1H)-thione","","- C21 H20 N2 O3 S -","- C21 H20 N2 O3 S -","- C168 H160 N16 O24 S8 -","8","1","OB6369","Özçelik, Suzan; Dinçer, Muharrem; Yıldırım, İsmail; Akçamur Yunus","1-Ethyl-5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)pyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","7","o1123","o1125","10.1107/S1600536804012413","","","0.71073","MoKα","","0.0971","0.0479","","","0.0881","0.0972","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203934","11.6648","0.0006","12.3882","0.0006","12.5333","0.0006","92.168","0.001","91.05","0.001","92.252","0.001","1808.09","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N,N,N',N'-Tetrakis(2-pyridiniomethyl)-1,3-diaminopropane tetraperchlorate hydrate","","- C27 H36 Cl4 N6 O17 -","- C27 H36 Cl4 N6 O17 -","- C54 H72 Cl8 N12 O34 -","2","1","OB6371","Fujihara, Takashi; Saito, Miki; Nagasawa, Akira","<i>N,N,N</i>',<i>N</i>'-Tetrakis(2-pyridiniomethyl)-1,3-diaminopropane tetraperchlorate monohydrate","Acta Crystallographica Section E","2004","60","7","o1126","o1128","10.1107/S1600536804011961","","","0.71073","MoKα","","0.072","0.066","","","0.1775","0.1829","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203935","8.331","0.002","8.997","0.002","9.341","0.002","105.851","0.004","108.501","0.004","94.671","0.004","627.8","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chloro-bis[dichlorobis(acetonitrile)niobium] acetonitorile disolvate","","- C12 H18 Cl6 N6 Nb2 -","- C12 H18 Cl6 N6 Nb2 -","- C12 H18 Cl6 N6 Nb2 -","1","0.5","OB6374","Kakeya, Masaki; Fujihara, Takashi; Nagasawa, Akira","Di-μ-chloro-bis[diacetonitriledichloroniobium(III)] acetonitrile disolvate","Acta Crystallographica Section E","2004","60","7","m893","m894","10.1107/S1600536804012760","","","0.71073","MoKα","","0.07","0.0532","","","0.1272","0.1357","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203936","13.272","0.003","9.905","0.002","15.533","0.003","90","","90","","90","","2042","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H21.6 K Ni O6.3 -","- C15 H21 K Ni O6.3 -","- C60 H84 K4 Ni4 O25.2 -","4","1","OB6375","Reinaldo Atencio; Julián Reyes; Karina Ramírez; Teresa González; Ysaias Alvarado","Potassium tris(acetylacetonato)nickelate(II) 0.3-hydrate","Acta Crystallographica Section E","2004","60","7","m915","m917","10.1107/S1600536804013017","","","0.71073","MoKα","","0.0322","0.0275","","","0.0759","0.0793","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203937","7.6789","0.0009","10.2222","0.0011","11.3519","0.0013","102.368","0.009","103.812","0.01","101.113","0.009","816.81","0.17","296","1","296","1","","","","","","","","3","P 1","P 1","1","","(E)-(20S,25S)-20,23-Diacetyl-5β-furost-22-ene-3β,26-diyl diacetate","","- C35 H52 O7 -","- C35 H52 O7 -","- C35 H52 O7 -","1","1","OB6376","Meza-Reyes, Socorro; Montiel-Smith, Sara; Sandoval-Ramírez, Jesús; Bernès, Sylvain; Hernández-Linares, Guadalupe; Santillan, Rosa L.; Rincón, Susana","(<i>E</i>)-(20<i>S</i>,25<i>S</i>)-20,23-Diacetyl-5β-furost-22-ene-3β,26-diyl diacetate","Acta Crystallographica Section E","2004","60","7","o1137","o1139","10.1107/S1600536804013443","","","0.71073","MoKα","","0.0444","0.0409","","","0.1116","0.1158","","","","","","0.966","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203938","17.728","0.004","8.5045","0.0019","22.575","0.005","90","","105.925","0.004","90","","3273","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Ethyl-2-oxo-5-phenyl-1,6-dihydro-2H- oxazolo[4',5':5,6]pyrido[3,4-b]indole methanol hemisolvate","","- C20.5 H17 N3 O2.5 -","- C20.5 H17 N3 O2.5 -","- C164 H136 N24 O20 -","8","1","OB6377","Yu, Gang; Li, Yi-Zhi; Cao, Li-Ya; Zhang, Xiao-Mo; Wang, Kai; Hu, Hong-Wen","1-Ethyl-2-oxo-5-phenyl-1,6-dihydro-2<i>H</i>-oxazolo[4',5':5,6]pyrido[3,4-<i>b</i>]indole methanol hemisolvate","Acta Crystallographica Section E","2004","60","7","o1271","o1272","10.1107/S1600536804015193","","","0.71073","MoKα","","0.0665","0.0524","","","0.1398","0.1472","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203939","10.001","0.003","11.929","0.003","9.544","0.003","90","","107.656","0.004","90","","1085","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-amino-2-methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one","","- C11 H13 N3 O S -","- C11 H13 N3 O S -","- C44 H52 N12 O4 S4 -","4","1","OB6381","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J. Saravanan","3-Amino-2-methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2004","60","7","o1239","o1240","10.1107/S1600536804014862","","","0.71073","MoKα","","0.1015","0.0897","","","0.2247","0.2342","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203940","9.268","0.003","9.985","0.003","11.193","0.004","100.386","0.005","92.652","0.005","106.543","0.005","971.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-[(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4- ylidene)(phenyl)methyl]glycine ethyl ester","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C42 H42 N6 O6 -","2","1","RN6015","Zhang, Xin; Zhu, Hualing; Xu, Haizhen; Dong, Mei","<i>N</i>-[(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)(phenyl)methyl]glycine ethyl ester","Acta Crystallographica Section E","2004","60","7","o1157","o1158","10.1107/S1600536804013212","","","0.71073","MoKα","","0.0845","0.0498","","","0.1133","0.1309","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203941","12.585","0.002","21.175","0.003","12.704","0.002","90","","90.211","0.003","90","","3385.4","0.9","273","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[1-(5-Chloro-2-oxidophenyl)ethanone 4-nitrobenzoylhydrazonato(2-)]tripyridinenickel(II) pyridine solvate","","- C35 H30 Cl N7 Ni O4 -","- C35 H30 Cl N7 Ni O4 -","- C140 H120 Cl4 N28 Ni4 O16 -","4","1","SU6095","Hapipah, Ali; Khamis, Nur Ashikin; Basirun, W. Jefri.; Bohari, M.Yamin","[1-(5-Chloro-2-oxidophenyl)ethanone 4-nitrobenzoylhydrazonato(2{-})]tris(pyridine)nickel(II) pyridine solvate","Acta Crystallographica Section E","2004","60","7","m912","m914","10.1107/S1600536804013030","","","0.71073","MoKα","","0.091","0.057","","","0.123","0.139","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203942","7.332","0.003","15.185","0.005","17.37","0.006","90","","90","","90","","1933.9","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Dichlorobis(2-methylquinoline N-oxide-κO)copper(II)","","- C20 H18 Cl2 Cu N2 O2 -","- C20 H18 Cl2 Cu N2 O2 -","- C80 H72 Cl8 Cu4 N8 O8 -","4","0.5","SU6105","Victor B. Rybakov; Tatiana A. Semenova; Lyudmila A. Aleshina; Vladimir P. Andreev; Yakov P. Nizhnik; Vladimir V. Chernyshev","Dichlorobis(2-methylquinoline <i>N</i>-oxide-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2004","60","7","m901","m903","10.1107/S1600536804012942","","","1.5418","CuKα","","0.1087","0.0425","","","0.048","0.0623","","","","","","0.879","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203943","6.3949","0.0007","8.7222","0.0007","11.0868","0.0012","90","","92.345","0.009","90","","617.88","0.11","293","","250","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-Morpholinoethhyl)benzimidazole","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C26 H34 N6 O2 -","2","1","SU6107","Mehmet Akkurt; Sema Öztürk; Nihat Şireci; Hasan Küçükbay; Orhan Büyükgüngör","1-(2-Morpholinoethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2004","60","7","o1185","o1187","10.1107/S1600536804012930","","","0.71073","MoKα","","0.0442","0.0308","","","0.0715","0.0746","","","","","","0.886","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203944","10.244","0.003","15.246","0.005","20.302","0.006","94.58","0.02","101","0.02","95.88","0.03","3080.1","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis(cis-cyclohexano-12-crown-4)-potassium chlorochromate","bis(cis-dodecahydro-1,4,7,10-benzotetraoxacyclododecin)- potassium chlorochromate","","- C24 H44 Cl Cr K O11 -","- C24 H44 Cl Cr K O11 -","- C96 H176 Cl4 Cr4 K4 O44 -","4","2","SU6110","Kotlyar, Sergey A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.","Bis(<i>cis</i>-cyclohexano-12-crown-4)potassium chlorochromate","Acta Crystallographica Section E","2004","60","7","m907","m909","10.1107/S1600536804012966","","","0.71073","MoKα","","0.1438","0.0666","","","0.1629","0.1801","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203945","18.4374","0.0002","6.8192","0.0001","18.433","0.0002","90","","90","","90","","2317.55","0.05","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Ditetramethylammonium tetraaquodichlorochromate(III) trichloride dihydrate","","- C8 H36 Cl5 Cr N2 O6 -","- C8 H36 Cl5 Cr N2 O6 -","- C32 H144 Cl20 Cr4 N8 O24 -","4","0.5","SU6111","Eriksson, Annika K.; Casari, Barbara M.; Langer, Vratislav","Tetramethylammonium tetraaquadichlorochromium(III) trichloride dihydrate","Acta Crystallographica Section E","2004","60","7","m930","m932","10.1107/S1600536804013078","","","0.71073","MoKα","","0.0792","0.0529","","","0.1318","0.1488","","","","","","1.001","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203946","27.253","0.002","16.662","0.001","17.179","0.001","90","","114.429","0.001","90","","7102.4","0.8","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Bis[1,1'-bis(diphenylphosphino)ferrocenethiocyanatocopper(I)] dichloromethane disolvate","","- C72 H60 Cl4 Cu2 Fe2 N2 P4 S2 -","- C72 H60 Cl4 Cu2 Fe2 N2 P4 S2 -","- C288 H240 Cl16 Cu8 Fe8 N8 P16 S8 -","4","0.5","SU6112","Li, Dan; Luo, Ya-Fang; Wu, Tao; Ng, Seik Weng","Di-μ-thiocyanato-bis{[1,1'-bis(diphenylphosphino)ferrocene-κ^2^<i>P</i>,<i>P</i>']copper(I)} dichloromethane disolvate","Acta Crystallographica Section E","2004","60","7","m927","m929","10.1107/S1600536804013637","","","0.71073","MoKα","","0.067","0.056","","","0.158","0.166","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203947","7.1326","0.0002","12.0376","0.0004","9.8312","0.0003","90","","99.42","0.0014","90","","832.72","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[dibromozinc(II)]-di-μ-1,4-dioxan-κ^2^O:O']","","- C4 H8 Br2 O2 Zn -","- C4 H8 Br2 O2 Zn -","- C16 H32 Br8 O8 Zn4 -","4","1","SU6113","Barnes, John C.","<i>catena</i>-Poly[[dibromozinc(II)]-di-μ-1,4-dioxan-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","7","m971","m972","10.1107/S1600536804014072","","","0.71074","MoKα","","0.0519","0.0415","","","0.1009","0.1059","","","","","","1.101","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203948","15.173","0.003","5.7317","0.0012","10.9836","0.0018","90","","108.22","0.009","90","","907.3","0.3","170","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 S2 Si2 -","- C16 H20 S2 Si2 -","- C32 H40 S4 Si4 -","2","0.5","SU6114","Khan, Muhammad S.; Al-Naamani, Ruqaya S.; Ahrens, Birte; Raithby, Paul R.","2,5-Bis(trimethylsilylethynyl)thieno[3,2-<i>b</i>]thiophene","Acta Crystallographica Section E","2004","60","7","o1202","o1203","10.1107/S160053680401414X","","","0.71073","MoKα","","","0.0365","","","","0.1004","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203949","6.191","0.002","28.671","0.009","12.066","0.004","90","","92.51","0.02","90","","2139.7","1.2","150","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 S3 Si2 -","- C18 H20 S3 Si2 -","- C72 H80 S12 Si8 -","4","1","SU6115","Khan, Muhammad S.; Ahrens, Birte; Raithby, Paul R.; Teat, Simon J.","2,6-Bis(trimethylsilylethynyl)dithieno[3,2-<i>b</i>:2',3'-<i>d</i>]thiophene","Acta Crystallographica Section E","2004","60","7","o1226","o1228","10.1107/S1600536804014369","","","0.6887","Synchrotron","","","0.0554","","","","0.1143","","","","","","1.166","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203950","8.0397","0.0016","5.202","0.001","11.318","0.002","90","","90.426","0.004","90","","473.33","0.16","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-dithiolan-2-one","","- C3 H4 O S2 -","- C3 H4 O S2 -","- C12 H16 O4 S8 -","4","1","SU6116","Reinheimer, Eric; Bacsa, John; Kim R. Dunbar","1,3-Dithiolan-2-one","Acta Crystallographica Section E","2004","60","7","o1206","o1207","10.1107/S1600536804014382","","","0.71073","MoKα","","0.0297","0.0203","","","0.0509","0.0518","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203951","12.58","0.003","13.247","0.003","15.216","0.003","90","","107.48","0.03","90","","2418.6","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-Bis(isothiocynato-κN)tetrapyridinecadmium(II)","","- C22 H20 Cd N6 S2 -","- C22 H20 Cd N6 S2 -","- C88 H80 Cd4 N24 S8 -","4","0.5","SU6117","Qu Yang; Zhao-Di Liu; Hai-Liang Zhu; Tan, Min-Yu","<i>trans</i>-Bis(isothiocyanato-κ<i>N</i>)tetrapyridinecadmium(II)","Acta Crystallographica Section E","2004","60","7","m1013","m1014","10.1107/S160053680401517X","","","0.71073","MoKα","","0.0413","0.0371","","","0.0897","0.0925","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203952","6.996","0.003","19.569","0.004","16.659","0.002","90","","97.328","0.019","90","","2262.1","1.1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H46 Co2 Mo N10 O17 -","- C40 H46 Co2 Mo N10 O17 -","- C80 H92 Co4 Mo2 N20 O34 -","2","1","SU6119","Gustavo Liendo; Alexander Briceño; Teresa González; Reinaldo Atencio","Bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O,O</i>')cobalt(II)] molybdate heptahydrate","Acta Crystallographica Section E","2004","60","7","m1028","m1031","10.1107/S1600536804015417","","","0.71073","MoKα","","0.0494","0.0379","","","0.0848","0.091","","","","","","1.035","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2203953","12.7397","0.0008","15.6191","0.001","25.0173","0.0015","90","","90","","90","","4978","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[[dichlorocopper(II)]-μ-1,3,5-tris(2-pyridyloxymethyl)benzene] methanol solvate]","","- C25 H25 Cl2 Cu N3 O4 -","- C25 H25 Cl2 Cu N3 O4 -","- C200 H200 Cl16 Cu8 N24 O32 -","8","1","TK6171","David J. Bray; Li-Ling Liao; Leonard F. Lindoy; John C. McMurtrie; Gang Wei","<i>catena</i>-Poly[[[dichlorocopper(II)]-μ-1,3,5-tris(2-pyridyloxymethyl)benzene] methanol solvate]","Acta Crystallographica Section E","2004","60","7","m918","m920","10.1107/S1600536804013315","","","0.71073","MoKα","","0.038","0.028","","","0.07","0.075","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203954","12.328","0.006","10.362","0.004","12.149","0.002","90","","99.6","0.03","90","","1530.2","1","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,6SR,8SR)-2-Methyl-8-(phenylsulfonyl)bicyclo[4.2.0]octan-1-ol","","- C15 H20 O3 S -","- C15 H20 O3 S -","- C60 H80 O12 S4 -","4","1","TK6172","Wendy A. Loughlin; Michelle A. McCleary; Peter C. Healy","(1<i>RS</i>,2<i>RS</i>,6<i>S</i><i>R</i>,8<i>S</i><i>R</i>)-2-Methyl-8-(phenylsulfonyl)bicyclo[4.2.0]octan-1-ol","Acta Crystallographica Section E","2004","60","7","o1151","o1153","10.1107/S1600536804013649","","","0.71069","MoKα","","0.156","0.053","","","0.134","0.174","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203955","11.34","0.003","18.026","0.006","7.8442","0.0016","90","","106.788","0.018","90","","1535.1","0.7","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,6SR,8SR)-2,6-Dimethyl-8-(phenylsulfonyl)bicyclo[4.2.0]octan-1-ol","","- C16 H22 O3 S -","- C16 H22 O3 S -","- C64 H88 O12 S4 -","4","1","TK6173","Wendy A. Loughlin; Michelle A. McCleary; Peter C. Healy","(1<i>RS</i>,2<i>S</i><i>R</i>,6<i>S</i><i>R</i>,8<i>S</i><i>R</i>)-2,6-Dimethyl-8-(phenylsulfonyl)bicyclo[4.2.0]octan-1-ol","Acta Crystallographica Section E","2004","60","7","o1154","o1156","10.1107/S1600536804013650","","","0.71069","MoKα","","0.128","0.047","","","0.106","0.131","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203956","7.406","0.003","11.074","0.003","13.886","0.005","112.54","0.02","94.82","0.03","101.69","0.03","1013.4","0.7","295","","295","","","","","","","","","5","P -1","-P 1","2","","4-amino-2-chloro-5-nitro-6-(propylamino)pyrimidine","","- C7 H10 Cl N5 O2 -","- C7 H10 Cl N5 O2 -","- C28 H40 Cl4 N20 O8 -","4","2","TK6175","McKeveney, Declan; Quinn, Ronald J.; Janssen, Christian O.; Healy, Peter C.","4-Amino-2-chloro-5-nitro-6-(propylamino)pyrimidine","Acta Crystallographica Section E","2004","60","7","o1260","o1262","10.1107/S1600536804015028","","","0.7107","MoKα","","0.1209","0.05","","","0.129","0.158","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203957","12.921","0.002","11.882","0.002","13.264","0.002","90","","90","","90","","2036.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dichloro-N,N,N'-rimethylethylenediaminozinc","","- C5 H14 Cl2 N2 Zn -","- C5 H14 Cl2 N2 Zn -","- C40 H112 Cl16 N16 Zn8 -","8","1","WK6018","Johansson, Anna; Hakansson, Mikael","Dichloro(<i>N,N,N</i>'-trimethylethylenediamine)zinc(II)","Acta Crystallographica Section E","2004","60","7","m955","m957","10.1107/S160053680401390X","","","0.71073","MoKα","","0.05","0.04","","","0.093","0.098","","","","","","1.103","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203958","12.2491","0.0012","12.2491","0.0012","12.2491","0.0012","90","","90","","90","","1837.9","0.3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Cr H28 N O20 S2 -","- Cr H28.002 N O20 S2 -","- Cr4 H112.008 N4 O80 S8 -","4","0.166667","WM6019","Rempfer, Nora; Lerner, Hans-Wolfram; Bolte, Michael","The ammonium chromium(III) alum NH~4~Cr(SO~4~)~2~.12H~2~O","Acta Crystallographica, Section E","2004","60","7","i80","i81","10.1107/S1600536804011900","","","0.71073","MoKα","","0.0245","0.019","","","0.0496","0.0506","","","","","","1.037","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2203959","4.5955","0.0009","5.842","0.0012","8.3811","0.0016","103.678","0.015","98.069","0.016","95.638","0.016","214.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Fe H9 N O10 S2 -","- Fe H8 N O10 S2 -","- Fe H8 N O10 S2 -","1","0.5","WM6020","Heinicke, Friederike; Lerner, Hans-Wolfram; Bolte, Michael","NH~4~Fe^II^H(SO~4~)~2~.2H~2~O","Acta Crystallographica, Section E","2004","60","7","i84","i85","10.1107/S160053680401373X","","","0.71073","MoKα","","0.0185","0.0175","","","0.0481","0.0485","","","","","","1.124","","","","has coordinates,has disorder","282068","2023-03-26","10:12:33",""
"2203960","4.3788","0.0003","4.3788","0.0003","10.9062","0.0008","90","","90","","90","","209.11","0.03","295","2","295","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","cerium cadmium diantimonide","cerium cadmium diantimonide","","- Cd0.66 Ce Sb2 -","- Cd0.66 Ce Sb2 -","- Cd1.32 Ce2 Sb4 -","2","0.125","WM6021","Tkachuk, Andriy V.; Mar, Arthur","Cerium cadmium diantimonide, CeCd~0.660~Sb~2~","Acta Crystallographica Section E","2004","60","7","i82","i83","10.1107/S1600536804012814","","","0.71073","MoKα","","0.0184","0.0179","","","0.0449","0.0451","","","","","","1.198","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203961","6.7815","0.0004","14.0948","0.0012","15.0855","0.001","90","","90.05","0.005","90","","1441.93","0.18","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(4-Acetyl-phenylamino)-methylene]naphthalen-2(1H)-one","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","WN6245","Yüce, Süheyla; Özek, Arzu; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan","1-[(4-Acetylphenylamino)methylene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","7","o1217","o1218","10.1107/S1600536804010633","","","0.71073","MoKα","","0.0665","0.0361","","","0.0817","0.0891","","","","","","0.849","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203962","9.3902","0.0017","14.9426","0.0013","19.455","0.004","102.125","0.014","98.065","0.017","92.267","0.011","2635.8","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","[(tmedaH2){V2Cl5(tmeda)2}][BPh4].(THF)","","","- C46 H78 B Cl5 N6 O V2 -","- C46 H78 B Cl5 N6 O V2 -","- C92 H156 B2 Cl10 N12 O2 V4 -","2","1","WN6256","Raimondi, Angela Cristina; Hasegawa, Tai; Nunes, Fábio Souza","<i>N,N,N</i>',<i>N</i>'-Tetramethylethane-1,2-diaminium tri-μ-chloro-bis[(<i>N,N,N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)vanadium(II)] tetraphenylborate tetrahydrofuran solvate","Acta Crystallographica Section E","2004","60","7","m1010","m1012","10.1107/S1600536804015004","","","0.71073","MoKα","","0.0769","0.0458","","","0.1019","0.1182","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203963","7.293","0.005","7.865","0.005","13.628","0.005","88.973","0.005","74.668","0.005","63.876","0.005","672.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[(5-Chloro-2-hydroxy-phenylamino)methylene]-1H-naphthalen-2-one","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C34 H24 Cl2 N2 O4 -","2","1","WN6257","Özek, Arzu; Yüce, Süheyla; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","1-[(5-Chloro-2-hydroxyphenylamino)methylene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","7","o1162","o1164","10.1107/S1600536804013728","","","0.71069","MoKα","","0.1472","0.0632","","","0.0913","0.112","","","","","","0.944","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203964","9.794","0.005","7.388","0.003","26.946","0.012","90","","90","","90","","1949.8","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","trans-2-(2-Phenylethenyl)pyrazine","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","1","WN6258","Shi, Xue-Fang; Liu, Hui-Min; Zhang, Wen-Qin","<i>trans</i>-2-(2-Phenylethenyl)pyrazine","Acta Crystallographica Section E","2004","60","7","o1255","o1256","10.1107/S1600536804015107","","","0.71073","MoKα","","0.0751","0.0451","","","0.0905","0.1026","","","","","","1.092","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203965","9.333","0.003","13.456","0.004","7.181","0.002","90","","103.55","0.01","90","","876.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(1-phenyl-1H-tetrazol-5-ylsulfanyl)ethane","","- C16 H14 N8 S2 -","- C16 H14 N8 S2 -","- C32 H28 N16 S4 -","2","0.5","WW6222","Wang, Wei; Liu, Hui-Min; Zheng, Yan; Zhang, Wen-Qin","1,2-Bis(1-phenyl-1H-tetrazol-5-ylsulfanyl)ethane","Acta Crystallographica, Section E","2004","60","8","o1279","o1280","10.1107/S1600536804015363","","","0.71073","MoKα","","0.073","0.0374","","","","0.0928","","","","","","1.005","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203966","11.449","0.002","11.2395","0.0017","11.918","0.003","90","","114.04","0.016","90","","1400.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,6-dipiperidino-1,3,5-triazin-2(1H)-one","","- C13 H21 N5 O -","- C13 H21 N5 O -","- C52 H84 N20 O4 -","4","1","YA6207","Foces-Foces, C.","Self-assembly of 4,6-dipiperidino-1,3,5-triazin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","7","o1159","o1161","10.1107/S1600536804013066","","","1.5418","CuKα","","0.148","0.081","","","0.18","0.218","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203967","11.3171","0.0003","13.9042","0.0004","16.429","0.0005","104.36","0.001","98.795","0.001","100.214","0.002","2411.61","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tris-(μ-α-methylacrylato-1:2κ^2^O:O')tris-(μ-α-methylacrylato- 2:3κ^2^O:O')(2,2'-bipyridine-1κ^2^N,N')(2,2'-bipyridine-3κ^2^N,N')(nitro- 3κ^2^O,O')dizinc(II)lanthanum(III)","","- C44 H46 La N5 O15 Zn2 -","- C44 H46 La N5 O15 Zn2 -","- C88 H92 La2 N10 O30 Zn4 -","2","1","YA6208","Zhu, Yue; Lu, Wei-Min; Chen, Fang","A zinc‒lanthanum carboxylate complex, [LaZn~2~<i>L</i>~6~(NO~3~)(bipy)~2~] (<i>L</i> = α-methylacrylate and bipy = 2,2'-bipyridine)","Acta Crystallographica Section E","2004","60","7","m963","m965","10.1107/S1600536804013613","","","0.71073","MoKα","","0.044","0.033","","","0.086","0.101","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203968","10.958","0.004","9.683","0.006","20.861","0.009","90","","96.56","0.05","90","","2199","1.9","188","","188","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(η^3^-indenyl)bis(tetrahydrofuran)magnesium(II)","","- C26 H30 Mg O2 -","- C26 H30 Mg O2 -","- C104 H120 Mg4 O8 -","4","0.5","BR6152","Holger Gritzo; Frank Schaper; Hans-Herbert Brintzinger","Bis(η^3^-indenyl)bis(tetrahydrofuran)magnesium(II)","Acta Crystallographica Section E","2004","60","8","m1108","m1110","10.1107/S1600536804016149","","","0.71073","MoKα","","0.1045","0.0697","","","0.1672","0.1899","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203969","11.4472","0.0007","18.136","0.002","19.063","0.002","117.072","0.003","96.767","0.002","91.495","0.003","3485.2","0.6","183.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H66 N6 Zn -","- C96 H66 N6 Zn -","- C192 H132 N12 Zn2 -","2","1","BR6154","Kojima, Takahiko; Harada, Ryosuke","(Acetonitrile-κ<i>N</i>)(2,3,5,7,8,10,12,13,15,17,18,20-dodecaphenylporphyrinato-κ^4^<i>N</i>)zinc(II) acetonitrile solvate","Acta Crystallographica Section E","2004","60","8","m1097","m1099","10.1107/S1600536804016447","","","0.7107","MoKα","","","0.0535","","","","0.1649","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2203970","16.194","0.003","7.024","0.001","9.498","0.002","90","","125.91","0.01","90","","875","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","LiYb(PO~3~)~4~","","- Li O12 P4 Yb -","- Li O12 P4 Yb -","- Li4 O48 P16 Yb4 -","4","0.5","BR6155","Ben Zarkouna, Emna; Driss, Ahmed","LiYb(PO~3~)~4~","Acta Crystallographica, Section E","2004","60","8","i102","i104","10.1107/S1600536804017283","","","0.71073","MoKα","","0.018","0.0176","","","0.0466","0.0467","","","","","","1.165","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203971","10.6692","0.0015","17.257","0.002","13.399","0.0018","90","","99.7","0.02","90","","2431.7","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis[3,7-bis(cyclopropylmethyl)-7-aza-3-azoniaspiro[bicyclo[3.3.1]nonane-9,1'- cyclopentane]] (2E)-but-2-enedionate bis[(2E)-but-2-enedioic acid]","","- C50 H76 N4 O12 -","- C50 H76 N4 O12 -","- C100 H152 N8 O24 -","2","0.5","BT6477","Jones, Peter G.; Schön, Uwe; Finner, Emil","Tedisamil sesquifumarate","Acta Crystallographica Section E","2004","60","8","o1285","o1287","10.1107/S1600536804015521","","","0.71073","MoKα","","0.0873","0.0594","","","0.1454","0.1657","","","","","","0.978","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203972","8.873","0.001","6.567","0.001","10.629","0.002","90","","100.437","0.002","90","","609.09","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Dimolybdato(VI)bis[(1,10-phenanthroline)iron(II)]","","- C24 H16 Fe2 Mo2 N4 O8 -","- C24 H16 Fe2 Mo2 N4 O8 -","- C24 H16 Fe2 Mo2 N4 O8 -","1","0.25","BT6478","Zhang, Xian-Ming; Fang, Rui-Qin; Ng, Seik Weng","Rerefinement of poly[[tetra-μ-oxo-dioxobis(1,10-phenanthroline-κ^2^<i>N,N</i>)dimolybdenum(VI)iron(II)]-di-μ-oxo] in the centrosymmetric space group <i>P</i>2~1~/<i>m</i>","Acta Crystallographica Section E","2004","60","8","m1049","m1050","10.1107/S1600536804015685","","","0.71073","MoKα","","0.027","0.024","","","0.064","0.065","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203973","15.8338","0.001","6.3209","0.0004","15.5019","0.001","90","","93.703","0.001","90","","1548.25","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[[aquamanganese(II)]-di-μ-(4-pyridylthioacetato)-κ^6^O,O':N;N:O,O']","","- C14 H14 Mn N2 O5 S2 -","- C14 H14 Mn N2 O5 S2 -","- C56 H56 Mn4 N8 O20 S8 -","4","0.5","BT6479","Huang, Yong-Qing; Zhang, Hui; Chen, Jian-Gu; Ng, Seik Weng","A second <i>C</i>-centered monoclinic polymorph of poly[[aquamanganese(II)]-di-μ-(4-pyridylthioacetato)-κ^6^<i>O,O</i>':<i>N,N</i>:<i>O,O</i>']","Acta Crystallographica Section E","2004","60","8","m1051","m1052","10.1107/S1600536804015697","","","0.71073","MoKα","","0.0304","0.0292","","","0.0833","0.0843","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203974","19.851","0.001","12.89","0.001","16.301","0.001","90","","105.518","0.001","90","","4019","0.4","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-isopropoxy-bis[(8-hydroxyquinolinolato)diisopropoxyzirconium(IV)]","","- C36 H54 N2 O8 Zr2 -","- C36 H54 N2 O8 Zr2 -","- C144 H216 N8 O32 Zr8 -","4","0.5","BT6481","Amini, Mostafa M.; Mahmoodi, Ayoob; Mirzaee, Mehdi; Ng, Seik Weng","Di-μ-isopropoxy-bis[(8-hydroxyquinolinolato)diisopropoxyzirconium(IV)]","Acta Crystallographica Section E","2004","60","8","m1053","m1054","10.1107/S1600536804015740","","","0.71073","MoKα","","0.046","0.032","","","0.075","0.082","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203975","8.088","0.0006","8.9192","0.0006","9.7063","0.0007","92.372","0.001","95.354","0.001","108.663","0.001","658.6","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-iodo-bis[(3-cyanopyridine-κN)copper(I)]","","- C24 H16 Cu2 I2 N8 -","- C24 H16 Cu2 I2 N8 -","- C24 H16 Cu2 I2 N8 -","1","0.5","BT6482","Huang, Xiao-Chun; Ng, Seik Weng","Di-μ-iodo-bis[(3-cyanopyridine-κ<i>N</i>)copper(I)]","Acta Crystallographica Section E","2004","60","8","m1055","m1056","10.1107/S1600536804015752","","","0.71073","MoKα","","0.026","0.023","","","0.059","0.06","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203976","9.99","0.0012","16.5228","0.0018","9.4745","0.001","90","","115.005","0.008","90","","1417.3","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cl18 K4 Ta6 -","- Cl18 K4 Ta6 -","- Cl36 K8 Ta12 -","2","0.25","BT6483","Jongen, Liesbet; Meyer, Gerd","Tetrapotassium dodeca-μ-chloro-hexachloro-<i>octahedro</i>-hexatantalate, K~4~[Ta~6~Cl~12~]Cl~6~","Acta Crystallographica Section E","2004","60","8","i100","i101","10.1107/S1600536804017106","","","0.71073","MoKα","","0.0355","0.0287","","","0.0648","0.0674","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203977","9.9935","0.0016","9.9935","0.0016","9.9935","0.0016","90","","90","","90","","998.1","0.3","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl6 K2 Ta -","- Cl6 K2 Ta -","- Cl24 K8 Ta4 -","4","0.0208333","BT6484","Jongen, Liesbet; Meyer, Gerd","Dipotassium hexachlorotantalate(IV), K~2~TaCl~6~","Acta Crystallographica Section E","2004","60","8","i91","i92","10.1107/S1600536804016198","","","0.71073","MoKα","","0.0202","0.0202","","","0.0423","0.0423","","","","","","1.231","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203978","10.107","0.002","11.957","0.002","12.836","0.002","64.832","0.005","78.988","0.005","72.857","0.005","1337.7","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","N-cyclohexyl-4-methoxycarbonylbenzamide","methyl 4-(cyclohexylaminocarbonyl)benzoate","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","2","BT6485","Jones, Peter G.; Kuś, Piotr","<i>N</i>-Cyclohexyl-4-(methoxycarbonyl)benzamide","Acta Crystallographica Section E","2004","60","8","o1299","o1300","10.1107/S1600536804015971","","","0.71073","MoKα","","0.0931","0.0653","","","0.1578","0.1698","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203979","7.427","0.0006","21.6166","0.0015","8.3108","0.0007","90","","115.768","0.006","90","","1201.59","0.17","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1α,2β,5β,6α)-5,6-Dichloro-3-cyclohexene-1,2-diyl diacetate","","- C10 H12 Cl2 O4 -","- C10 H12 Cl2 O4 -","- C40 H48 Cl8 O16 -","4","1","BT6486","Sema Öztürk; Mehmet Akkurt; Arif Baran; Hasan Seçen; Orhan Büyükgüngör","(1α,2β,5β,6α)-5,6-Dichloro-3-cyclohexene-1,2-diyl diacetate","Acta Crystallographica, Section E","2004","60","8","o1322","o1324","10.1107/S1600536804016526","","","0.71073","MoKα","","0.0651","0.049","","","0.1417","0.1486","","","","","","1.072","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203980","10.4586","0.0019","11.3387","0.0019","11.5813","0.0019","62.71","0.01","74.36","0.011","86.041","0.011","1172.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-bis(2,6-di-1-naphthylphenyl)phosphanido]bis[(tetrahdyrofuran)lithium(I)]","","- C60 H52 Li2 O2 P2 -","- C60 H52 Li2 O2 P2 -","- C60 H52 Li2 O2 P2 -","1","0.5","BT6487","Rabe, Gerd W.; Incarvito, Christopher D.; Golen, James A.; Rheingold, Arnold L.","Bis[μ-bis(2,6-di-1-naphthylphenyl)phosphanido]bis[(tetrahydrofuran)lithium(I)]","Acta Crystallographica Section E","2004","60","8","m1156","m1157","10.1107/S1600536804017155","","","0.71073","MoKα","","0.161","0.0829","","","0.2105","0.2621","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2203981","6.9076","0.001","4.895","0.003","25.213","0.004","90","","91.349","0.007","90","","852.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","not relevant","4-hydroxy-3,5-dimethoxybenzaldehyde","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","BT6488","Tsonko Kolev; Rüdiger Wortmann; Michael Spiteller; William S. Sheldrick; Maik Heller","4-Hydroxy-3,5-dimethoxybenzaldehyde (syringaldehyde)","Acta Crystallographica, Section E","2004","60","8","o1386","o1387","10.1107/S1600536804017015","","","0.71073","MoKα","","0.0474","0.04","","","0.106","0.1114","","","","","","1.035","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203982","13.855","0.001","14.995","0.001","19.245","0.001","90","","93.571","0.001","90","","3990.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diiodo(4'-phenyl-2,2':6',2''-terpyridine-κ^3^N)copper(II)","","- C21 H15 Cu I2 N3 -","- C21 H15 Cu I2 N3 -","- C168 H120 Cu8 I16 N24 -","8","1","BT6490","Hou, Lei; Li, Dan; Wu, Tao; Yin, Ye-Gao; Ng, Seik Weng","Diiodo(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>)copper(II)","Acta Crystallographica Section E","2004","60","8","m1181","m1182","10.1107/S1600536804017672","","","0.71073","MoKα","","0.049","0.04","","","0.106","0.111","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203983","7.763","0.006","9.152","0.004","8.619","0.006","90","","98.08","0.06","90","","606.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-Poly[silver(I)-μ-isonicotinato-κ^2^O:N]","","- C6 H4 Ag N O2 -","- C6 H4 Ag N O2 -","- C24 H16 Ag4 N4 O8 -","4","1","BT6491","Yang, Yang-Yi; Huang, Zhong-Qi; Ouyang, Gang-Feng; Ng, Seik Weng","catena-Poly[silver(I)-μ-isonicotinato-κ^2^O:N]","Acta Crystallographica, Section E","2004","60","8","m1158","m1159","10.1107/S1600536804017684","","","0.71073","MoKα","","0.103","0.058","","","0.134","0.155","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203984","23.048","0.007","23.048","","5.663","0.003","90","","90","","90","","3008","2","295","2","295","2","","","","","","","","4","I -4","I -4","82","","4,5-Diphenyl-1H-imidazole-1-acetic acid","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","1","BT6492","Gao, Shan; Zhao, Hui; Huo, Li-Hua; Gao, Jin-Shan; Zain, Sharifuddin M.; Ng, Seik Weng","4,5-Diphenyl-1H-imidazole-1-acetic acid","Acta Crystallographica, Section E","2004","60","8","o1390","o1392","10.1107/S1600536804017696","","","0.71073","MoKα","","0.083","0.075","","","0.238","0.244","","","","","","1.25","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2203985","7.468","0.003","8.55","0.004","9.525","0.005","104.03","0.03","91.42","0.05","94.33","0.03","587.8","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-(3-Carboxymethyl-4-nitrophenyl)propionic acid","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C22 H22 N2 O12 -","2","1","BT6493","Huo, Li-Hua; Gao, Shan; Zhao, Hui; Zain, Sharifuddin M.; Ng, Seik Weng","2-(3-Carboxymethyl-4-nitrophenyl)propionic acid","Acta Crystallographica, Section E","2004","60","8","o1393","o1395","10.1107/S1600536804017817","","","0.71073","MoKα","","0.093","0.067","","","0.179","0.195","","","","","","1.04","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2203986","7.5134","0.0019","11.261","0.003","13.859","0.004","99.674","0.004","90.793","0.005","105.622","0.004","1111.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","6-methyl-2-pyridone","6-methyl-2-pyridone pentahydrate","","- C6 H17 N O6 -","- C6 H17 N O6 -","- C24 H68 N4 O24 -","4","2","BT6495","Clegg, William; Nichol, Gary S.","6-Methyl-2-pyridone pentahydrate","Acta Crystallographica Section E","2004","60","8","o1433","o1436","10.1107/S1600536804018367","","","0.71073","MoKα","","0.0735","0.0475","","","0.1181","0.133","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203987","4.581","0.0009","11.744","0.002","16.594","0.003","90","","96.69","0.03","90","","886.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-methoxypyridinium-3-squarate","2-(4-methoxypyridinio)-3,4-dioxocyclobut-1-en-1-olate","","- C10 H7 N O4 -","- C10 H7 N O4 -","- C40 H28 N4 O16 -","4","1","BT6496","T. Kolev; R. Wortmann; M. Spiteller; W. S. Sheldrick; H. Mayer-Figge","4-Methoxypyridinium betaine of squaric acid","Acta Crystallographica Section E","2004","60","8","o1449","o1450","10.1107/S1600536804018379","","","0.71073","MoKα","","0.0785","0.0441","","","0.0929","0.1073","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203988","7.969","0.0016","11.952","0.002","14.336","0.003","90","","101.69","0.03","90","","1337.1","0.5","573","2","573","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyrazine-2,3-dicarboxylic acid","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C48 H32 N16 O32 -","8","2","CF6358","Premkumar, Thathan; Govindarajan, Subbiah; Starosta, Wojciech; Leciejewicz, Janusz","Pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section E","2004","60","8","o1305","o1306","10.1107/S1600536804016216","","","0.71073","MoKα","","0.0666","0.0305","","","0.0962","0.1098","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203989","16.287","0.007","17.201","0.009","34.07","0.016","90","","90","","90","","9545","8","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C40 H32 Cd2 N8 O12 V4 -","- C40 H32 Cd2 N8 O12 V4 -","- C320 H256 Cd16 N64 O96 V32 -","8","0.5","CF6361","Xian-Zhong Sun; Bao-Yu Wang; Ling-Yun Zhong","μ-Tetravanadato-bis[bis(2,2'-bipyridine)cadmium(II)]","Acta Crystallographica Section E","2004","60","8","m1100","m1102","10.1107/S160053680401623X","","","0.71073","MoKα","","0.1321","0.0705","","","0.1734","0.21","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203990","20.4427","0.0002","12.7593","0.0002","21.0262","0.0002","90","","112.619","0.0007","90","","5062.53","0.11","200","","200","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C51.73 H52.92 Cl F6 O2.73 P5 Ru -","- C51.73 H44 Cl F6 O2.73 P5 Ru -","- C206.92 H176 Cl4 F24 O10.92 P20 Ru4 -","4","1","CF6366","Anthony C. Willis; Gulliver T. Dalton; Joseph P. Morrall; Marie P. Cifuentes; Mark G. Humphrey","<i>cis</i>,<i>cis</i>,<i>cis</i>-Aquabis[bis(diphenylphosphino)methane-κ^2^<i>P</i>,<i>P</i>']chlororuthenium(II) hexafluorophosphate methanol 1.73-solvate","Acta Crystallographica Section E","2004","60","8","m1122","m1123","10.1107/S1600536804016253","","","0.71073","MoKα","","","0.0323","","","","0.0356","","","","","","1.0508","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203991","15.341","0.011","7.4","0.005","12.149","0.009","90","","98.902","0.011","90","","1362.6","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua[N-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ^4^O,N,O',O'']copper(II)","","- C11 H12 Cu N2 O8 -","- C11 H12 Cu N2 O8 -","- C44 H48 Cu4 N8 O32 -","4","1","CF6367","Meng, Bianhong; Gao, Fei; Du, Xiuqing","Aqua[<i>N</i>-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ^4^<i>O,N,O</i>',<i>O</i>'']copper(II)","Acta Crystallographica Section E","2004","60","8","m1103","m1105","10.1107/S1600536804016484","","","0.71073","MoKα","","0.0914","0.0534","","","0.0763","0.0856","","","","","","0.868","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203992","11.43","0.002","11.406","0.002","15.087","0.003","90","","96.765","0.004","90","","1953.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis[2-(methylsulfanyl)phenyl]pyridine-2,6-dicarboxamidato(2-)]nickel(II)","","- C21 H17 N3 Ni O2 S2 -","- C21 H17 N3 Ni O2 S2 -","- C84 H68 N12 Ni4 O8 S8 -","4","1","CF6369","Liu, Sheng-Gui; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","{<i>N,N</i>'-Bis[2-(methylsulfanyl)phenyl]pyridine-2,6-dicarboxamidato(2‒)}nickel(II)","Acta Crystallographica Section E","2004","60","8","m1153","m1155","10.1107/S1600536804017143","","","0.71073","MoKα","","0.067","0.0516","","","0.1232","0.1321","","","","","","0.924","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203993","25.757","0.005","9.053","0.003","11.623","0.002","90","","93.05","0.03","90","","2706.4","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[(ethylenediamine-κ^2^N,N')zinc(II)]-μ-oxalato] dihydrate]","","- C4 H12 N2 O6 Zn -","- C4 H12 N2 O6 Zn -","- C48 H144 N24 O72 Zn12 -","12","1.5","CI6390","Albada, Gerard A. van; Mohamadou, Aminou; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","<i>catena</i>-Poly[[[(ethylenediamine-κ^2^<i>N,N</i>')zinc(II)]-μ-oxalato] dihydrate]","Acta Crystallographica Section E","2004","60","8","m1160","m1162","10.1107/S160053680401668X","","","0.71073","MoKα","","0.0774","0.0596","","","0.1514","0.1626","","","","","","1.229","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2203994","8.1871","0.0016","10.785","0.002","13.101","0.003","102.12","0.03","104.65","0.03","102.46","0.03","1049.1","0.5","292","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H42 Cl O7 P2 Rh -","- C43 H42 Cl O7 P2 Rh -","- C43 H42 Cl O7 P2 Rh -","1","0.5","CI6394","Meijboom, Reinout; Muller, Alfred; Roodt, Andreas","<i>trans</i>-Carbonylchlorobis[tris(2-methylphenyl)phosphito]rhodium(I)","Acta Crystallographica Section E","2004","60","8","m1071","m1073","10.1107/S1600536804015594","","","0.71073","MoKα","","","0.0399","","","","0.0933","","","","","","1.019","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203995","6.679","0.0002","8.336","0.0003","10.712","0.0004","82.907","0.0019","83.34","0.002","67.368","0.002","544.74","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Trichloro(η^5^-1,2,3-cyclopentadienyl)titanium(IV)","","- C8 H11 Cl3 Ti -","- C8 H11 Cl3 Ti -","- C16 H22 Cl6 Ti2 -","2","1","CI6395","Erben, Milan; Císařová, Ivana; Vinklárek, Jaromír; Holeček, Jaroslav","Trichloro(η^5^-1,2,3-trimethylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section E","2004","60","8","m1120","m1121","10.1107/S1600536804015715","","","0.71073","MoKα","","0.0278","0.0246","","","0.0627","0.0647","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203996","10.435","0.002","11.199","0.002","15.228","0.003","86.001","0.003","73.202","0.003","72.859","0.003","1627.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2,3-dithien-2-ylquinoxalin-1-ium perchlorate","","- C16 H11 Cl N2 O4 S2 -","- C16 H11 Cl N2 O4 S2 -","- C64 H44 Cl4 N8 O16 S8 -","4","2","CI6396","Foss, Paul C. D.; Crundwell, Guy; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D.","2,3-Dithien-2-ylquinoxalin-1-ium perchlorate","Acta Crystallographica Section E","2004","60","8","o1281","o1282","10.1107/S1600536804015703","","","0.71073","MoKα","","0.0626","0.0572","","","0.1462","0.1497","","","","","","1.183","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203997","7.15","0.003","7.8","0.002","15.481","0.005","90.68","0.02","102.62","0.03","98.48","0.03","832.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-4-(Bromophenyl)-8-cyano-5,7-dimethyloxazolo[3,2-a]pyridin-1-ylium perchlorate","","- C16 H12 Br Cl N2 O5 -","- C16 H12 Br Cl N2 O5 -","- C32 H24 Br2 Cl2 N4 O10 -","2","1","CI6397","Dmitry V. Albov; Eugenia I. Turubanova; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","2-(4-Bromophenyl)-8-cyano-5,7-dimethyloxazolo[3,2-<i>a</i>]pyridin-1-ylium perchlorate","Acta Crystallographica Section E","2004","60","8","o1303","o1304","10.1107/S1600536804015995","","","1.5418","CuKα","","0.0506","0.0447","","","0.1278","0.1323","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203998","10.937","0.008","20.406","0.014","7.484","0.005","90","","101.864","0.011","90","","1635","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[μ-N,N'-bis(μ-2-oxidophenylmethyleneamino)propane-1,2- diaminato(3-)]iron(III)","","- C34 H32 Cl2 Fe2 N4 O4 -","- C34 H32 Cl2 Fe2 N4 O4 -","- C68 H64 Cl4 Fe4 N8 O8 -","2","0.5","CI6398","You, Zhong-Lu; Zhu, Hai-Liang","A dinuclear Schiff base iron(III) complex with the ligand <i>N</i>,<i>N</i>'-bis(2-oxidophenylmethyleneimino)propane-1,2-diamine","Acta Crystallographica Section E","2004","60","8","m1046","m1048","10.1107/S1600536804015727","","","0.71073","MoKα","","0.1363","0.086","","","0.2008","0.2244","","","","","","0.939","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203999","6.131","0.001","7.144","0.001","14.498","0.003","95.72","0.03","96.37","0.03","115.15","0.03","563.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(ethylenediamine-κ^2^N,N')copper(II) bis(4-fluorobenzoate)","","- C18 H28 Cu F2 N4 O6 -","- C18 H28 Cu F2 N4 O6 -","- C18 H28 Cu F2 N4 O6 -","1","0.5","CI6399","Liu, Zhao-Di; Tan, Min-Yu; Zhu, Hai-Liang","Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(4-fluorobenzoate)","Acta Crystallographica Section E","2004","60","8","m1081","m1083","10.1107/S1600536804016277","","","0.71073","MoKα","","0.0586","0.0574","","","0.1799","0.1805","","","","","","1.183","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204000","8.5665","0.0015","8.7759","0.0016","9.5372","0.0017","91.796","0.015","91.407","0.014","116.386","0.012","641.4","0.2","293","2","293","","","","","","","","","5","P -1","-P 1","2","","5-Furan-2-yl-4-p-tolyl-2,4-dihydro-1,2,4-triazole-3-thione","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C26 H22 N6 O2 S2 -","2","1","CI6403","Dege, Necmi; Andac, Omer; Cansız, Ahmet; Çetin, Ahmet; Şekerci, Memet; Dinçer, Muharrem","5-(Furan-2-yl)-4-(<i>p</i>-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione","Acta Crystallographica Section E","2004","60","8","o1405","o1407","10.1107/S1600536804017660","","","0.71073","MoKα","","0.1117","0.0575","","","0.0961","0.1101","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204001","15.093","0.003","7.394","0.002","15.062","0.003","90","","112.766","0.003","90","","1549.9","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Nitrato-κO)[1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olato-κO]copper(II)","","- C17 H13 Cu N3 O4 -","- C17 H13 Cu N3 O4 -","- C68 H52 Cu4 N12 O16 -","4","1","CI6404","You, Zhong-Lu; Zhu, Hai-Liang","(Nitrato-κ<i>O</i>)[1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olato-κ<i>O</i>]copper(II)","Acta Crystallographica Section E","2004","60","8","m1079","m1080","10.1107/S1600536804016265","","","0.71073","MoKα","","0.0503","0.0373","","","0.0939","0.1014","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204002","7.094","0.002","7.353","0.002","12.139","0.002","102.68","0.03","100.27","0.03","99.53","0.03","593.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[N-(2-hydroxyethyl)ethylenediamine-κ^3^N,N',O]copper(II) bis(4-fluorobenzoate)","","- C22 H32 Cu F2 N4 O6 -","- C22 H32 Cu F2 N4 O6 -","- C22 H32 Cu F2 N4 O6 -","1","0.5","CI6408","Qu, Yang; You, Zhong-Lu; Liu, Zhao-Di; Zhu, Hai-Liang; Tan, Min-Yu","A mononuclear copper(II) compound derived from <i>N</i>-(2-hydroxyethyl)ethylenediamine","Acta Crystallographica Section E","2004","60","8","m1187","m1188","10.1107/S1600536804018227","","","0.71073","MoKα","","0.085","0.0568","","","0.1297","0.1678","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204003","11.759","0.001","18.65","0.001","11.88","0.001","90","","111.29","0.02","90","","2427.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[1,9-Bis(3,5-dimethylpyrazol-1-yl-κN^2^)-3,7-dithianonane- κ^2^S,S']palladate(II) bis(tetrafluoroborate)","","- C17 H28 B2 F8 N4 Pd S2 -","- C17 H28 B2 F8 N4 Pd S2 -","- C68 H112 B8 F32 N16 Pd4 S8 -","4","1","CV6321","García-Antón, Jordi; Pons, Josefina; Ros, Josep; Solans, Xavier; Font-Bardia, Mercè","[1,9-Bis(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)-3,7-dithianonane-κ^2^<i>S,S</i>']palladium(II) bis(tetrafluoroborate)","Acta Crystallographica Section E","2004","60","8","m1087","m1089","10.1107/S1600536804016022","","","0.71069","MoKα","","0.0549","0.035","","","0.0598","0.0604","","","","","","1.154","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204004","9.4505","0.0002","28.9468","0.0008","13.7255","0.0002","90","","94.608","0.001","90","","3742.63","0.14","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[triaquabis(2,6-diacetamidobenzoato)terbium(III)]-μ-2,6- diacetamidobenzoato] monohydrate]","","- C33 H41 N6 O16 Tb -","- C33 H41 N6 O16 Tb -","- C132 H164 N24 O64 Tb4 -","4","1","CV6322","Onoda, Akira; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","<i>catena</i>-Poly[[[triaquabis(2,6-diacetamidobenzoato)terbium(III)]-μ-2,6-diacetamidobenzoato] monohydrate]","Acta Crystallographica Section E","2004","60","8","m1196","m1198","10.1107/S1600536804016939","","","0.71069","MoKα","","0.0376","0.0282","","","0.0722","0.0826","","","","","","1.159","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204005","10.5593","0.0009","12.8979","0.0011","10.1875","0.0009","90","","111.703","0.002","90","","1289.11","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(Benzenesulfonyl)-4-methylthiazole-5-carbohydrazide","","- C11 H11 N3 O3 S2 -","- C11 H11 N3 O3 S2 -","- C44 H44 N12 O12 S8 -","4","1","CV6326","Qing Bao Song; Zhi Min Jin; Hai Bin Wang; Biao Jiang","<i>N</i>'-(Benzenesulfonyl)-4-methylthiazole-5-carbohydrazide","Acta Crystallographica Section E","2004","60","8","o1292","o1293","10.1107/S1600536804015806","","","0.71073","MoKα","","0.0377","0.0337","","","0.0913","0.0936","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204006","10.329","0.0011","10.4271","0.0011","10.7795","0.0011","90","","103.115","0.012","90","","1130.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Threoninium trichloroacetate","L-Threoninium trichloroacetate","","- C6 H10 Cl3 N O5 -","- C6 H10 Cl3 N O5 -","- C24 H40 Cl12 N4 O20 -","4","2","CV6333","Rajagopal, K.; Franklin, R. Dinesh; Krishnakumar, R. V.; Ravikumar, K.; Natarajan, S.","DL-Threoninium trichloroacetate","Acta Crystallographica, Section E","2004","60","8","o1354","o1356","10.1107/S1600536804016630","","","0.71073","MoKα","","0.0342","0.0328","","","0.0836","0.0848","","","","","","1.052","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204007","11.4847","0.0003","11.4847","0.0003","12.8612","0.0004","90","","90","","90","","1696.37","0.08","295","2","295","2","","","","","","","","6","I -4","I -4","82","","","","- C28 H32 Cl Cu N8 S4 -","- C28 H32 Cl Cu N8 S4 -","- C56 H64 Cl2 Cu2 N16 S8 -","2","0.25","CV6337","Yu Liu; Duan-Jun Xu","Tetrakis(phenylthiourea-κ<i>S</i>)copper(I) chloride","Acta Crystallographica Section E","2004","60","8","m1057","m1059","10.1107/S160053680401582X","","","0.71069","MoKα","","0.028","0.026","","","0.065","0.065","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204008","8.5896","0.0008","10.6112","0.001","14.2017","0.0013","71.36","0.002","73.261","0.001","79.67","0.002","1169.11","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-N'-[1-(2-oxidophenyl)ethylidene]-3- methoxybenzohydrazidato}bis[pyridinezinc(II)] pyridine solvate","","- C52 H48 N8 O6 Zn2 -","- C52 H48 N8 O6 Zn2 -","- C52 H48 N8 O6 Zn2 -","1","0.5","CV6338","Hapipah Ali; Khamis, Nur Ashikin; M. Sukeri. M. Yusof; Bohari. M. Yamin","Bis{μ-3-methoxy-<i>N</i>'-[1-(2-oxidophenyl)ethylidene]benzohydrazidato}bis[pyridinezinc(II)] pyridine solvate","Acta Crystallographica Section E","2004","60","8","m1191","m1192","10.1107/S1600536804018100","","","0.71073","MoKα","","0.034","0.032","","","0.086","0.087","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204009","12.106","0.0006","13.7927","0.0008","13.8994","0.0009","60.813","0.003","88.719","0.003","80.625","0.002","1994.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[aquabis(1H-benzimidazole-κN^3^)nickel(II)]-μ- isophthalato-κ^2^O:O'] hemihydrate]","","- C22 H19 N4 Ni O5.5 -","- C22 H19 N4 Ni O5.5 -","- C88 H76 N16 Ni4 O22 -","4","2","CV6339","Yu Liu; Duan-Jun Xu","<i>catena</i>-Poly[[[aquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)nickel(II)]-μ-isophthalato-κ^2^<i>O</i>:<i>O</i>'] hemihydrate]","Acta Crystallographica Section E","2004","60","8","m1092","m1094","10.1107/S1600536804016381","","","0.71073","MoKα","","0.103","0.058","","","0.09","0.101","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204010","15.968","0.005","12.342","0.004","21.607","0.007","90","","105.682","0.006","90","","4100","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(3,4-methylenedioxyphenyl)-1-phenyl-3-(p-toluenesulfonylamino)propan-1-one","","- C23 H21 N O5 S -","- C23 H21 N O5 S -","- C184 H168 N8 O40 S8 -","8","2","CV6340","Yu, Zhifang; Gu, Xiuyan; Zhao, Bing; Li, Yan","3-(3,4-Methylenedioxyphenyl)-1-phenyl-3-(p-toluenesulfonylamino)propan-1-one","Acta Crystallographica, Section E","2004","60","8","o1357","o1358","10.1107/S160053680401685X","","","0.71073","MoKα","","0.164","0.0615","","","0.1175","0.1468","","","","","","0.98","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204011","8.2289","0.0005","19.2134","0.0011","15.6534","0.0005","90","","95.803","0.003","90","","2462.2","0.2","293","2","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","acetatobis(1,10-phenantroline)zinc(II) tetrafluorborate","","- C26 H19 B F4 N4 O2 Zn -","- C26 H19 B F4 N4 O2 Zn -","- C104 H76 B4 F16 N16 O8 Zn4 -","4","1","CV6341","Rodrigues, B. L.","Acetatobis(1,10-phenanthroline)zinc(II) tetrafluoroborate","Acta Crystallographica Section E","2004","60","8","m1166","m1168","10.1107/S1600536804017477","","","0.71073","MoKα","","","0.0501","","","","0.1156","","","","","","0.939","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204012","8.4489","0.0004","10.0482","0.0005","14.9191","0.0008","77.264","0.003","87.306","0.003","86.554","0.003","1232.44","0.11","293","2","293","","","","","","","","","7","P -1","-P 1","2","","acetatobis(2,2'-bipyridil)znic(II) hexafluorphosphate monohydrate","","- C22 H21 F6 N4 O3 P Zn -","- C22 H21 F6 N4 O3 P Zn -","- C44 H42 F12 N8 O6 P2 Zn2 -","2","1","CV6342","Rodrigues, B. L.","Acetatobis(2,2'-bipyridyl)zinc(II) hexafluorophosphate monohydrate","Acta Crystallographica Section E","2004","60","8","m1169","m1171","10.1107/S1600536804017489","","","0.71073","MoKα","","","0.0519","","","","0.1527","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204013","5.6482","0.001","8.0559","0.0012","12.7628","0.0011","75.619","0.002","87.92","0.002","86.918","0.001","561.56","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(1H-imidazole-κN^3^)bis(4-nitrobenzoato-κO)cobalt(II)","","- C20 H20 Co N6 O10 -","- C20 H20 Co N6 O10 -","- C20 H20 Co N6 O10 -","1","0.5","CV6343","Tu-Gen Xu; Duan-Jun Xu","Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(4-nitrobenzoato-κ<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2004","60","8","m1131","m1133","10.1107/S1600536804017246","","","0.71069","MoKα","","0.028","0.025","","","0.064","0.066","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204014","18.5029","0.0011","10.6914","0.0007","21.3741","0.0013","90","","90","","90","","4228.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-Bis(p-methylphenyl)-2,2'-(m-phenylenedioxy)diacetamide","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C192 H192 N16 O32 -","8","1","CV6345","Shu-Sheng Zhang; Yong-Hong Wen; Juan Liang; Xue-Mei Li","N,N'-Bis(p-methylphenyl)-2,2'-(m-phenylenedioxy)diacetamide","Acta Crystallographica, Section E","2004","60","8","o1388","o1389","10.1107/S1600536804017751","","","0.71073","MoKα","","0.122","0.085","","","0.2272","0.257","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204015","6.821","0.0003","8.528","0.0003","11.077","0.0003","92.547","0.002","95.901","0.002","113.397","0.0017","585.66","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Tribromo(η^5^-1,2,3-trimethylcyclopentadienyl)titanium(IV)","","- C8 H11 Br3 Ti -","- C8 H11 Br3 Ti -","- C16 H22 Br6 Ti2 -","2","1","CV6348","Erben, Milan; Císařová, Ivana; Vinklárek, Jaromír; Pavlišta, Martin","Tribromo(η^5^-1,2,3-trimethylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section E","2004","60","8","m1183","m1184","10.1107/S1600536804018069","","","0.71073","MoKα","","0.0327","0.0261","","","0.0604","0.0637","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204016","8.523","0.002","10.272","0.002","11.11","0.002","68.42","0.02","87.05","0.02","67.8","0.02","833.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","tetraammonium dilitium decavanadate","","","- H36 Li2 N4 O38 V10 -","- H36 Li2 N4 O38 V10 -","- H36 Li2 N4 O38 V10 -","1","0.5","DN6142","Ksiksi, Regaya; Graia, Mohsen; Driss, Ahmed; Jouini, Tahar","Décavanadate sel double de dilithium et tétraammonium décahydrate, (NH~4~)~4~Li~2~[V~10~O~28~]·10H~2~O","Acta Crystallographica Section E","2004","60","8","i105","i107","10.1107/S1600536804017416","","","0.71073","MoKα","","0.0327","0.0304","","","0.0905","0.0927","","","","","","1.159","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204017","10.8082","0.001","10.9099","0.0011","19.6832","0.0015","91.483","0.005","90.796","0.003","104.374","0.005","2247.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(ethylenediammonium) tetra-μ-oxo-tetrakis[(nitrilotriacetato)titanate] monohydrate","","- C28 H46 N8 O29 Ti4 -","- C28 H46 N8 O29 Ti4 -","- C56 H92 N16 O58 Ti8 -","2","1","DN6144","Sun, Qiaozhen; Sun, Qiaohong; Zhang, Hanhui; Surname, Forename; Huang, Changcang; Cao, Yanning; Sun, Ruiqing","Bis(ethylenediammonium) tetra-μ-oxo-tetrakis[(nitrilotriacetato)titanate(IV)] monohydrate","Acta Crystallographica Section E","2004","60","8","m1084","m1086","10.1107/S1600536804016186","","","0.71073","MoKα","","0.0838","0.0498","","","0.1091","0.1236","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204018","8.6173","0.0015","5.2953","0.0007","15.588","0.003","90","","93.214","0.014","90","","710.2","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","S,S'-Bis(methoxycarbonylmethyl)dithioglyoxime monohydrate","dimethyl [1,2-bis(hydroxyimino)ethane-1,2-diyl]dithiodiacetate monohydrate","","- C8 H14 N2 O7 S2 -","- C8 H14 N2 O7 S2 -","- C16 H28 N4 O14 S4 -","2","0.5","DN6146","Serkan Soylu; Mehmet Kandaz; Nezihe Çalıs̨kan","S,S'-Bis(methoxycarbonylmethyl)dithioglyoxime monohydrate","Acta Crystallographica, Section E","2004","60","8","o1347","o1349","10.1107/S1600536804015922","","","0.71069","MoKα","","0.0728","0.0584","","","0.1481","0.1566","","","","","","0.934","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204019","9.974","0.002","10.575","0.002","11.547","0.002","90","","112.9","0.03","90","","1121.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-tert-Butyl-4,6-dinitrophenol","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","1","DN6148","Daniel E. Lynch; Ian McClenaghan","2-<i>tert</i>-Butyl-4,6-dinitrophenol","Acta Crystallographica Section E","2004","60","8","o1288","o1289","10.1107/S1600536804015855","","","0.71073","MoKα","","0.0775","0.0555","","","0.1501","0.1647","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204020","5.0207","0.0009","12.109","0.002","20.797","0.004","90","","90","","90","","1264.4","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-histidine (2R,3R)-tartrate","","","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","- C40 H60 N12 O32 -","4","1","DN6153","Johnson, M. N.; Feeder, N.","D-Histidinium (2R,3R)-tartrate","Acta Crystallographica, Section E","2004","60","8","o1373","o1374","10.1107/S1600536804017088","","","0.71073","MoKα","","0.0364","0.0291","","","0.0554","0.0567","","","","","","0.912","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204021","8.0171","0.0003","12.3697","0.0004","15.0866","0.0005","90","","95.685","0.001","90","","1488.77","0.09","296","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 I O2 S -","- C15 H13 I O2 S -","- C60 H52 I4 O8 S4 -","4","1","DN6154","Xiu-Rong Hu; Wei-Ming Xu; Jian-Ming Gu","(<i>R</i>)-1-Iodo-1-phenyl-2-(<i>p</i>-tolylsulfonyl)ethene","Acta Crystallographica Section E","2004","60","8","o1427","o1428","10.1107/S1600536804018148","","","0.7107","MoKα","","","0.028","","","","0.076","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204022","12.539","0.003","11.113","0.002","13.315","0.003","90","","92.23","0.03","90","","1854","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(pyridin-2-ylmethanolato-κ^2^N,O)bis(trifluoroacetato)nickel(II)","","- C16 H14 F6 N2 Ni O6 -","- C16 H14 F6 N2 Ni O6 -","- C64 H56 F24 N8 Ni4 O24 -","4","0.5","FL6106","Bacsa, John; Zhao, Hanhua; Kim R. Dunbar","Bis(pyridin-2-ylmethanolato-κ^2^<i>N,O</i>)bis(trifluoroacetato)nickel(II)","Acta Crystallographica Section E","2004","60","8","m1040","m1042","10.1107/S160053680401565X","","","0.71073","MoKα","","0.0428","0.0357","","","0.0769","0.0797","","","","","","1.092","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204023","13.9369","0.0014","19.0631","0.0017","23.503","0.002","90","","90","","90","","6244.3","1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[Dichloro(phenoxy)methyl]phenyl dichlorophosphonate","","- C13 H9 Cl4 O3 P -","- C13 H9 Cl4 O3 P -","- C208 H144 Cl64 O48 P16 -","16","2","FL6107","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Wang, Ching T.; Moseley, Charles G.","2-[Dichloro(phenoxy)methyl]phenyl dichlorophosphonate","Acta Crystallographica Section E","2004","60","8","o1312","o1313","10.1107/S1600536804016290","","","0.71073","MoKα","","0.0325","0.0241","","","0.0604","0.0646","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204024","27.166","0.002","5.9811","0.0005","24.158","0.002","90","","90.944","0.008","90","","3924.7","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cl4 O3 P -","- C17 H17 Cl4 O3 P -","- C136 H136 Cl32 O24 P8 -","8","1","FL6108","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Wang, Ching T.; Moseley, Charles G.","2-[(4-tert-Butylphenoxy)dichloromethyl]phenyl dichlorophosphoonate","Acta Crystallographica, Section E","2004","60","8","o1313","o1314","10.1107/S1600536804016289","","","0.71073","MoKα","","0.0293","0.0251","","","0.0664","0.0687","","","","","","1.072","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204025","10.7882","0.0005","15.3791","0.0009","25.4634","0.0013","90","","90","","90","","4224.7","0.4","293","2","110","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","tris(pyrazolyl)methane","tris(pyrazol-1-yl)methane","","- C10 H10 N6 -","- C10 H10 N6 -","- C160 H160 N96 -","16","4","FL6109","McLauchlan, Craig C.; Varda, Amy N.; Giles, Julian R.","Tris(pyrazol-1-yl)methane (Tpm)","Acta Crystallographica Section E","2004","60","8","o1419","o1420","10.1107/S1600536804017490","","","0.71073","MoKα","","0.082","0.0609","","","0.1178","0.1255","","","","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204026","8.349","0.0017","9.212","0.0015","13.899","0.0015","83.301","0.011","79.651","0.013","65.499","0.014","955.8","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","[(MeNC)(PPh3)AgBr]2","Di-μ-bromo-bis[(methyl isocyanide-κC)(triphenylphosphine-κP)silver(I)]","","- C40 H36 Ag2 Br2 N2 P2 -","- C40 H36 Ag2 Br2 N2 P2 -","- C40 H36 Ag2 Br2 N2 P2 -","1","0.5","FL6110","Olmstead, Marilyn M.; Sheffrin, Meera; Jiang, Feilong","Di-μ-bromo-bis[(methyl isocyanide-κ<i>C</i>)(triphenylphosphine-κ<i>P</i>)silver(I)]","Acta Crystallographica Section E","2004","60","8","m1142","m1143","10.1107/S1600536804017179","","","0.71073","MoKα","","0.059","0.0433","","","0.1055","0.1138","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204027","5.827","0.0007","23.98","0.003","6.1406","0.0008","90","","92.306","0.002","90","","857.34","0.19","148","2","148","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(dimethylammonium) 1,4-phenylenediacrylate","Bis(dimethylammonium) 1,4-phenylenediacrylate","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C32 H48 N4 O8 -","2","0.5","FL6111","Wheeler, Kraig A.; Deschamps, Jeffrey R.","Bis(dimethylammonium) 1,4-phenylenediacrylate","Acta Crystallographica Section E","2004","60","8","o1421","o1423","10.1107/S1600536804017921","","","0.71073","MoKα","","0.0658","0.0533","","","0.1251","0.1308","","","","","","1.115","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204028","10.595","0.002","14.75","0.003","22.285","0.005","90","","96.186","0.009","90","","3462.3","1.2","105","","105","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(bis{[2-(diethylphosphino- κP)ethyl]phenylphosphino}methane)dichloro[]rhodium(III) tetrafluoroborate acetone solvate","","- C28 H46 B Cl2 F4 O P4 Rh -","- C28 H46 B Cl2 F4 O P4 Rh -","- C112 H184 B4 Cl8 F16 O4 P16 Rh4 -","4","1","HB6060","Gueorguieva, Petia; Stanley, George G.; Fronczek, Frank R.","A mononuclear Rh^III^ tetraphosphine complex, [RhCl~2~(C~25~H~40~P~4~)]BF~4~·C~3~D~6~O, crystallized as a perdeuteroacetone solvate","Acta Crystallographica Section E","2004","60","8","m1043","m1045","10.1107/S1600536804015533","","","0.71073","MoKα","","0.049","0.031","","","0.066","0.071","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204029","15.286","0.0004","8.362","0.0002","15.69","0.0004","90","","101.086","0.0016","90","","1968.1","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Oxo-bis[azidobis(η^5^-cyclopentadienyl)titanium(IV)]","","- C20 H20 N6 O Ti2 -","- C20 H20 N6 O Ti2 -","- C80 H80 N24 O4 Ti8 -","4","1","HB6061","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Císařová, Ivana","μ-Oxo-bis[azidobis(η^5^-cyclopentadienyl)titanium(IV)]","Acta Crystallographica Section E","2004","60","8","m1090","m1091","10.1107/S1600536804016162","","","0.71073","MoKα","","0.0557","0.0342","","","0.077","0.0871","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204030","7.2693","0.0003","9.5506","0.0003","16.6714","0.0004","90","","90","","90","","1157.43","0.07","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cu N2 O5 -","- C11 H10 Cu N2 O5 -","- C44 H40 Cu4 N8 O20 -","4","1","HB6062","Lei Cao; Ning Li; Duan-Jun Xu","Poly[[(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II)]-μ~3~-oxydiacetato]","Acta Crystallographica Section E","2004","60","8","m1066","m1067","10.1107/S1600536804016009","","","0.71073","MoKα","","0.022","0.021","","","0.052","0.052","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204031","16.777","0.001","7.8257","0.0006","19.447","0.001","90","","90.356","0.002","90","","2553.2","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Acetonitrile-κN)(4'-phenyl-2,2':6',2''-terpyridine-κ^3^N)silver(I) hexafluorophosphate acetonitrile solvate","","- C25 H21 Ag F6 N5 P -","- C25 H21 Ag F6 N5 P -","- C100 H84 Ag4 F24 N20 P4 -","4","1","HB6063","Hou, Lei; Li, Dan; Yin, Ye-Gao; Wu, Tao; Ng, Seik Weng","(Acetonitrile-κ<i>N</i>)(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>)silver(I) hexafluorophosphate acetonitrile solvate","Acta Crystallographica Section E","2004","60","8","m1106","m1107","10.1107/S1600536804016472","","","0.71073","MoKα","","0.083","0.057","","","0.153","0.178","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204032","16.4537","0.001","8.1471","0.0011","14.5814","0.0012","90","","127.535","0.012","90","","1550","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Chloro-3,4-dimethoxybenzaldehyde (4-nitrophenyl)hydrazone","","- C15 H14 Cl N3 O4 -","- C15 H14 Cl N3 O4 -","- C60 H56 Cl4 N12 O16 -","4","1","HB6065","Shang Shan; Xiao-Juan Wang; Wei-Xiao Hu; Duan-Jun Xu","2-Chloro-3,4-dimethoxybenzaldehyde (4-nitrophenyl)hydrazone","Acta Crystallographica, Section E","2004","60","8","o1344","o1346","10.1107/S1600536804016642","","","0.71073","MoKα","","0.03","0.028","","","0.077","0.078","","","","","","1.033","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204033","14.071","0.007","8.985","0.006","17.23","0.03","90","","90","","90","","2178","4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Diazidobis(1,10-phenanthroline-κ^2^N,N')cadmium(II)","","- C24 H16 Cd N10 -","- C24 H16 Cd N10 -","- C96 H64 Cd4 N40 -","4","0.5","HB6066","Xiang He; Can-Zhong Lu; Xiao-Yuan Wu; Quan-Zheng Zhang; Shui-Mei Chen; Jiu-Hui Liu","Diazidobis(1,10-phenanthroline-κ^2^<i>N,N</i>')cadmium(II)","Acta Crystallographica Section E","2004","60","8","m1124","m1125","10.1107/S1600536804016654","","","0.71073","MoKα","","0.0733","0.0537","","","0.1161","0.125","","","","","","1.075","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204034","11.5","0.02","7.35","0.01","14.3","0.02","90","","92.42","0.02","90","","1208","3","173.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O10 S -","- C22 H24 N2 O10 S -","- C44 H48 N4 O20 S2 -","2","1","HG6044","Zao-Zao Qiu; Peng-Fei Xu","5-Phenyl-1,3,4-dioxazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-D-glucopyranoside","Acta Crystallographica, Section E","2004","60","8","o1364","o1365","10.1107/S1600536804014734","","","0.7107","MoKα","","","0.0355","","","","0.0458","","","","","","1.064","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204035","8.866","0.003","9.2962","0.0016","19.361","0.003","90","","90","","90","","1595.8","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1.2.5.6-Di-O-isopropylidene-3-O-methylsulfonyl-α-D-glucofuranose","","- C13 H22 O8 S -","- C13 H22 O8 S -","- C52 H88 O32 S4 -","4","1","HG6051","Ziemer, Burkhard; Mahrwald, Rainer","1.2.5.6-Di-O-isopropylidene-3-O-methylsulfonyl- α-D-glucofuranose","Acta Crystallographica, Section E","2004","60","8","o1342","o1343","10.1107/S1600536804013455","","","0.71073","MoKα","","0.0491","0.039","","","0.0876","0.0901","","","","","","0.933","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204036","10.5207","0.0001","11.8587","0.0001","10.9164","0.0002","90","","90","","90","","1361.95","0.03","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","Strontium clodronate","Pentaaqua(dichloromethylenebisphosphonato)strontium(II)","","- C H12 Cl2 O11 P2 Sr -","- C H12 Cl2 O11 P2 Sr -","- C4 H48 Cl8 O44 P8 Sr4 -","4","1","HG6061","Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","Pentaaqua(dichloromethylenebisphosphonato)strontium(II)","Acta Crystallographica Section E","2004","60","8","m1060","m1062","10.1107/S1600536804015764","","","0.71073","MoKα","","0.0202","0.0189","","","0.046","0.0466","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204037","13.586","0.008","13.586","0.008","32.6","0.04","90","","90","","90","","6017","9","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","[2,2'-(ethylenedioxy)dibenzaldehyde bis(thiosemicarbazone)]nickel(II) diperchlorate methanol disolvate","","- C20 H26 Cl2 N6 Ni O12 S2 -","- C20 H26 Cl2 N6 Ni O12 S2 -","- C160 H208 Cl16 N48 Ni8 O96 S16 -","8","0.5","HG6062","Xiao-Hang, Qiu; Hong-Yan, Wu","[2,2'-(Ethylenedioxy)dibenzaldehyde bis(thiosemicarbazone)]nickel(II) diperchlorate methanol disolvate","Acta Crystallographica Section E","2004","60","8","m1151","m1152","10.1107/S1600536804017192","","","0.71073","MoKα","","0.079","0.052","","","0.141","0.158","","","","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204038","14.81","0.003","7.94","0.01","12.049","0.002","90","","99.99","0.1","90","","1395.4","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-chloro-3-methyl-1,2,3,4-tetrahydrocarbazole-2-yl)-propanenitrile","","- C16 H17 Cl N2 -","- C16 H17 Cl N2 -","- C64 H68 Cl4 N8 -","4","1","HG6063","Shi, Hai-Jian; Hu, Yue-Fei; Hu, Hong-Wen","3-(3-Chloro-3-methyl-1,2,3,4-tetrahydrocarbazole-2-yl)propanenitrile","Acta Crystallographica, Section E","2004","60","8","o1380","o1381","10.1107/S1600536804017210","","","0.71073","MoKα","","0.0947","0.0348","","","0.0883","0.1071","","","","","","1.045","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204039","15.0847","0.0012","7.6587","0.0006","18.4907","0.0015","90","","92.216","0.001","90","","2134.6","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-bis[bis(2-pyridyl)hydroxymethyl]pyridine","","- C27 H21 N5 O2 -","- C27 H21 N5 O2 -","- C108 H84 N20 O8 -","4","0.5","HG6065","Görlitz, Jessica J.; Nielsen, Pia; Toftlund, Hans; Bond, Andrew D.","2,6-Bis[bis(2-pyridyl)hydroxymethyl]pyridine","Acta Crystallographica, Section E","2004","60","8","o1318","o1319","10.1107/S1600536804016368","","","0.71073","MoKα","","0.0461","0.0355","","","0.089","0.0947","","","","","","1.035","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204040","15.0059","0.0003","10.4719","0.0002","16.9266","0.0003","90","","93.547","0.001","90","","2654.76","0.09","155","2","155","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Dicyclohexyl-N-[(1RS,2RS,6SR)-4-(4-methoxyphenyl)-2,6-dimethyl-3- cyclohexene-1-carbonyl]urea","","- C29 H42 N2 O3 -","- C29 H42 N2 O3 -","- C116 H168 N8 O12 -","4","1","HG6067","Xie, Songwen; Meyers, Cal Y.; Robinson, Paul D.","N,N'-Dicyclohexyl-N-[(1RS,2RS,6SR)-4-(4-methoxyphenyl)-2,6-dimethyl-3- cyclohexene-1-carbonyl]urea: an unusual crystalline enantiomeric pairing","Acta Crystallographica, Section E","2004","60","8","o1361","o1363","10.1107/S1600536804016800","","","0.71073","MoKα","","0.089","0.073","","","0.212","0.232","","","","","","1.1","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204041","6.2189","0.0002","16.0064","0.0006","12.978","0.0004","90","","93.967","0.001","90","","1288.76","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","S-Phenyl 3-methanesulfonyl-2-oxoimidazolidine-1-carbothioate","","- C11 H12 N2 O4 S2 -","- C11 H12 N2 O4 S2 -","- C44 H48 N8 O16 S8 -","4","1","HG6068","Yong-Shu Li; Xian-rui Liang; Wen Feng; Wei-Ke Su","S-Phenyl 3-methanesulfonyl-2-oxoimidazolidine-1-carbothioate","Acta Crystallographica, Section E","2004","60","8","o1378","o1379","10.1107/S1600536804017337","","","0.71073","MoKα","","0.0374","0.0336","","","0.0888","0.0917","","","","","","1.066","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204042","7.574","0.003","11.104","0.004","14.122","0.005","90","","91.719","0.008","90","","1187.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Phenethyl-2-thioxo-2,3,5,6-tetrahydropyrimidin-4(1H)-one","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","HG6069","Chang-Sheng Yao; Hai-Bin Song; You-Quan Zhu; Ying Gao; Fang-Zhong Hu; Xiao-Mao Zou; Hua-Zheng Yang","3-Phenethyl-2-thioxo-2,3,5,6-tetrahydropyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","8","o1411","o1413","10.1107/S160053680401801X","","","0.71073","MoKα","","0.068","0.0409","","","0.0878","0.0985","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204043","10.3942","0.0008","12.501","0.001","14.348","0.001","74.028","0.004","73.954","0.004","65.501","0.005","1602.7","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","25,27-Bis(benzyloxy)-26,28-dihydroxycalix[4]arene","","- C42 H36 O4 -","- C42 H36 O4 -","- C84 H72 O8 -","2","1","HG6070","Bolte, Michael; Sakhaii, Peyman","25,27-Bis(benzyloxy)-26,28-dihydroxycalix[4]arene","Acta Crystallographica, Section E","2004","60","8","o1359","o1360","10.1107/S1600536804017040","","","0.71073","MoKα","","0.1039","0.0598","","","0.1154","0.1336","","","","","","1.048","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204044","13.0117","0.0012","6.3408","0.0004","17.5237","0.0015","90","","110.854","0.007","90","","1351.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Benzothiazol-2-yliminomethyl)-6-methoxyphenol","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","1","HG6071","Orhan Büyükgüngör; Nezihe Çalışkan; Ceyda Davran; Hümeyra Batı","2-(Benzothiazol-2-yliminomethyl)-6-methoxyphenol","Acta Crystallographica Section E","2004","60","8","o1414","o1416","10.1107/S1600536804018008","","","0.71073","MoKα","","0.0683","0.05","","","0.125","0.1327","","","","","","0.949","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204045","6.0562","0.0013","9.827","0.002","11.1075","0.0016","109.289","0.014","102.766","0.015","92.771","0.019","603.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","7-Hydroxy-2,2,7-trimethylperhydronaphthalene-1,5-dione","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","HG6072","Silvia Russi; Leopoldo Suescun; Mirta Mischne; Alvaro W. Mombrú","7-Hydroxy-2,2,7-trimethylperhydronaphthalene-1,5-dione","Acta Crystallographica Section E","2004","60","8","o1444","o1446","10.1107/S1600536804017313","","","0.71069","MoKα","","0.0729","0.0514","","","0.1481","0.1668","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204046","7.2905","0.0008","9.481","0.001","11.886","0.001","90","","93.28","0.002","90","","820.23","0.14","126.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","LH6219","Jose Escalada; Danna Freedman; Eric J. Werner","2,3-Dihydroxy-<i>N</i>-methylbenzamide monohydrate","Acta Crystallographica Section E","2004","60","8","o1296","o1298","10.1107/S1600536804015302","","","0.7107","MoKα","","","0.0435","","","","0.0519","","","","","","2.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204047","16.49","0.003","16.49","0.003","8.3485","0.0011","90","","90","","120","","1966","0.6","193","2","193","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","Tris-bis(trimethylsilyl)amido-samarium","Tris[bis(trimethylsilyl)amido]samarium tetrahydrofuran solvate","","- C22 H62 N3 O Si6 Sm -","- C22.08 H62.16 N3 O1.02 Si6 Sm -","- C44.16 H124.32 N6 O2.04 Si12 Sm2 -","2","0.166667","LH6224","Jörg Sundermeyer; Alexandre Khvorost; Klaus Harms","Tris[bis(trimethylsilyl)amido]samarium tetrahydrofuran solvate","Acta Crystallographica Section E","2004","60","8","m1117","m1119","10.1107/S1600536804016435","","","0.71073","MoKα","","0.0972","0.0609","","","0.0949","0.1039","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204048","16.0613","0.0004","18.1719","0.0005","28.35","0.0007","90","","95.303","0.001","90","","8238.9","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Sb Ag3 Cl6 P6 F6 C77 H70","Tris[μ-bis(diphenylphosphino)methane-κ^2^P:P']di-μ~3~-chloro-trisilver(I) hexafluoroantimonate dichloromethane disolvate","","- C77 H70 Ag3 Cl6 F6 P6 Sb -","- C77 H70 Ag3 Cl6 F6 P6 Sb -","- C308 H280 Ag12 Cl24 F24 P24 Sb4 -","4","1","LH6228","Wu, Mei-Mei; Qin, Yong-Hai","Tris[μ-bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-chloro-trisilver(I) hexafluoroantimonate dichloromethane disolvate","Acta Crystallographica Section E","2004","60","8","m1185","m1186","10.1107/S1600536804018112","","","0.71073","MoKα","","0.1119","0.072","","","0.1451","0.1706","","","","","","1.218","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204049","9.512","0.002","10.424","0.002","19.421","0.004","90","","101.118","0.014","90","","1889.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-Poly[[trimethyltin(IV)]-μ-2-(4-chlorophenyl)-3-(4-methoxyphenyl) -propenoato-κ^2^O:O'],","catena-Poly[[trimethyltin(IV)]-μ-2-(4-chlorophenyl)-3-(4-methoxyphenyl) -propenoato-κ^2^O:O'],","","- C19 H21 Cl O3 Sn -","- C19 H21 Cl O3 Sn -","- C76 H84 Cl4 O12 Sn4 -","4","1","LH6235","Sadiq-ur-Rehman; Abdelrehman, Doaa; Ali, Saqib; Badshah, Amin; Parvez, Masood","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2-(4-chlorophenyl)-3-(4-methoxyphenyl)propenoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","8","m1076","m1078","10.1107/S1600536804015314","","","0.71073","MoKα","","0.043","0.03","","","0.069","0.075","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204050","26.524","0.003","11.3288","0.0018","9.231","0.0011","90","","104.643","0.009","90","","2683.7","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C120 H104 N24 O8 S8 -","8","1","LH6236","Genç, Sadık; Dege, Necmi; Çetin, Ahmet; Cansız, Ahmet; Şekerci, Memet; Dinçer, Muharrem","5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione","Acta Crystallographica, Section E","2004","60","8","o1339","o1341","10.1107/S1600536804016551","","","0.71073","MoKα","","0.0787","0.054","","","0.1338","0.1478","","","","","","0.983","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204051","4.989","0.003","5.305","0.003","7.368","0.004","104.429","0.01","97.886","0.009","93.797","0.01","186.05","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,4-phenylenediboronic acid","1,4-phenylenediboronic acid","","- C6 H8 B2 O4 -","- C6 H8 B2 O4 -","- C6 H8 B2 O4 -","1","0.5","LH6237","Rodríguez-Cuamatzi, Patricia; Vargas-Dáz, Gabriela; Maris, Thierry; Wuest, James D.; Höpfl, Herbert","1,4-Phenylenediboronic acid","Acta Crystallographica, Section E","2004","60","8","o1315","o1317","10.1107/S1600536804016150","","","0.71073","MoKα","","0.0529","0.05","","","0.1322","0.1346","","","","","","1.213","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204052","7.4878","0.001","12.009","0.002","13.585","0.002","110.872","0.009","102.803","0.007","100.404","0.007","1066.9","0.3","102","","102","","","","","","","","","6","P -1","-P 1","2","","2-[(ethylaminothioylhydrazono)(2-pyridyl)methyl]pyridinium tetrachlorodiphenylstannate(IV)","","- C40 H42 Cl4 N10 S2 Sn -","- C40 H42 Cl4 N10 S2 Sn -","- C40 H42 Cl4 N10 S2 Sn -","1","0.5","LH6238","Venkatraman, Ramaiyer; Ray, Paresh Chandra; Fronczek, Frank R.","The tetrachlorodiphenylstannate(IV) salt of protonated di-2-pyridyl ketone <i>N</i>^4^-ethylthiosemicarbazone","Acta Crystallographica Section E","2004","60","8","m1035","m1037","10.1107/S1600536804015508","","","0.71073","MoKα","","0.038","0.029","","","0.063","0.066","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204053","6.155","0.002","9.676","0.004","22.507","0.008","90","","93.543","0.006","90","","1337.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2E)-2-(2,4-Dichlorobenzylidene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin- 3(5H)-one","","- C13 H10 Cl2 N2 O S -","- C13 H10 Cl2 N2 O S -","- C52 H40 Cl8 N8 O4 S4 -","4","1","LH6239","Liang, Zu-Pei; Cao, Chang-Qing","(2E)-2-(2,4-Dichlorobenzylidene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin- 3(5H)-one","Acta Crystallographica, Section E","2004","60","8","o1333","o1334","10.1107/S160053680401654X","","","0.71073","MoKα","","0.0574","0.0384","","","","0.0944","","","","","","1.062","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204054","13.5852","0.0007","10.4183","0.0004","19.5622","0.0007","90","","104.065","0.002","90","","2685.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Mn N7 O6 -","- C25 H27 Mn N7 O6 -","- C100 H108 Mn4 N28 O24 -","4","1","LH6240","Jian-Rong Su; Kai-Liang Yin; Duan-Jun Xu","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(iminodiacetato-κ^2^<i>O,O</i>')manganese(II) dihydrate","Acta Crystallographica Section E","2004","60","8","m1063","m1065","10.1107/S1600536804015910","","","0.71073","MoKα","","0.058","0.042","","","0.104","0.111","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204055","9.2286","0.0005","11.4896","0.0006","12.0277","0.0007","80.517","0.004","82.803","0.004","73.69","0.004","1203.07","0.12","238","1","238","1","","","","","","","","7","P 1","P 1","1","","bis[(S,S)-1,2-dimethoxy-1,2-bis(1-methyl-1H-benzimidazol-2-yl)ethane]copper(II) bis(tetrafluoroborate) acetonitrile disolvate","","- C44 H50 B2 Cu F8 N10 O4 -","- C44 H50 B2 Cu F8 N10 O4 -","- C44 H50 B2 Cu F8 N10 O4 -","1","1","LH6241","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","A chiral facially coordinated Cu^II^ complex derived from a tridentate bis(benzimidazole) ligand: bis[(<i>S,S</i>)-1,2-dimethoxy-1,2-bis(1-methylbenzimidazol-2-yl)ethane]copper(II) bis(tetrafluoroborate) acetonitrile disolvate","Acta Crystallographica Section E","2004","60","8","m1147","m1150","10.1107/S1600536804017295","","","0.71073","MoKα","","0.0656","0.0513","","","0.1279","0.1488","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204056","9.8777","0.0008","10.488","0.0008","9.9723","0.0008","90","","93.131","0.002","90","","1031.56","0.14","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Phthaloyl-dl-alanine","dl-2-(1,3-dioxoisoindolin-2-yl)propanoic acid","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","1","LH6242","Wheeler, Kraig A.; Matthew Gordineer; Deschamps, Jeffrey R.","N-Phthaloyl-dl-alanine","Acta Crystallographica, Section E","2004","60","8","o1398","o1400","10.1107/S1600536804016459","","","0.71073","MoKα","","0.0424","0.0359","","","0.0916","0.096","","","","","","1.052","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204057","7.12","0.002","17.501","0.004","13.73","0.003","90","","96.05","0.02","90","","1701.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{2-[3-(diethylamino)propyliminomethyl]phenolato}copper(II) diperchlorate","","- C28 H44 Cl2 Cu N4 O10 -","- C28 H44 Cl2 Cu N4 O10 -","- C56 H88 Cl4 Cu2 N8 O20 -","2","0.5","LH6243","You, Zhong-Lu; Xiong, Zhong-Duo; Zhu, Hai-Liang","Bis{2-[3-(diethylamino)propyliminomethyl]phenolato}copper(II) diperchlorate","Acta Crystallographica Section E","2004","60","8","m1114","m1116","10.1107/S1600536804016563","","","0.71073","MoKα","","0.1285","0.0735","","","0.1943","0.2395","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204058","11.877","0.002","21.552","0.003","14.817","0.002","90","","91.696","0.007","90","","3791.1","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis[2,3-bis(4-chlorophenyl)propenoato-κ^2^O:O']di-n-butyltin(IV)","Bis[2,3-bis(4-chlorophenyl)propenoato-κ^2^O:O']di-n-butyltin(IV)","","- C38 H36 Cl4 O4 Sn -","- C38.008 H36 Cl4 O4 Sn -","- C152.032 H144 Cl16 O16 Sn4 -","4","1","LH6244","Sadiq-ur-Rehman; Ly, Hanh Vien; Ali, Saqib; Badshah, Amin; Parvez, Masood","Bis[2,3-bis(4-chlorophenyl)propenoato-κ^2^<i>O</i>:<i>O</i>']di-<i>n</i>-butyltin(IV)","Acta Crystallographica Section E","2004","60","8","m1144","m1146","10.1107/S1600536804017039","","","0.71073","MoKα","","0.094","0.047","","","0.116","0.138","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204059","23.607","0.003","6.7381","0.0008","12.7583","0.0016","90","","110.215","0.002","90","","1904.4","0.4","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5,7-trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one","","- C5 H7 N7 O7 -","- C5 H7 N7 O7 -","- C40 H56 N56 O56 -","8","1","LH6248","Butcher, Ray J.; Evans, Robin; Gilardi, R.","2,5,7-Trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one","Acta Crystallographica, Section E","2004","60","8","o1375","o1377","10.1107/S1600536804017301","","","0.71073","MoKα","","0.0588","0.05","","","0.105","0.1079","","","","","","1.251","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204060","12.2172","0.0007","11.0152","0.0007","19.5064","0.0012","90","","106.999","0.001","90","","2510.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-Bis(2,2'-bipyridine-4,4'-dicarboxylic acid\-κ^2^N,N')dichlororuthenium(II) monohydrate","","- C24 H18 Cl2 N4 O9 Ru -","- C24 H16 Cl2 N4 O9 Ru -","- C96 H64 Cl8 N16 O36 Ru4 -","4","1","LH6249","Fujihara, Takashi; Kobayashi, Atsuo; Iwai, Miho; Nagasawa, Akira","<i>cis</i>-Bis(2,2'-bipyridine-4,4'-dicarboxylic acid-κ^2^<i>N</i>,<i>N</i>')dichlororuthenium(II) monohydrate","Acta Crystallographica Section E","2004","60","8","m1172","m1174","10.1107/S1600536804017507","","","0.71073","MoKα","","0.0287","0.026","","","0.071","0.0732","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204061","10.7932","0.0002","9.8543","0.0002","17.8692","0.0003","90","","103.967","0.001","90","","1844.37","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Triphenyl(propyl)phosphonium bromide","Triphenyl(propyl)phosphonium bromide","","- C21 H22 Br P -","- C21 H22 Br P -","- C84 H88 Br4 P4 -","4","1","LH6251","Czerwinski, Edmund W.","Triphenyl(propyl)phosphonium bromide","Acta Crystallographica Section E","2004","60","8","o1442","o1443","10.1107/S1600536804018331","","","1.5418","CuKα","","0.0366","0.0333","","","","0.0899","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204062","19.32","0.0009","11.1284","0.0004","25.6676","0.0012","90","","108.638","0.004","90","","5229.1","0.4","153","2","153","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cis-{trans-1,2-bis[2-(diphenylphosphino)benzamido]cyclohexane- κ^2^P,P'}dichloroplatinum(II) chloroform trisolvate","","- C47 H43 Cl11 N2 O2 P2 Pt -","- C47 H43 Cl11 N2 O2 P2 Pt -","- C188 H172 Cl44 N8 O8 P8 Pt4 -","4","1","NA6337","Burger, Sylvain; Therrien, Bruno; Süss-Fink, Georg","<i>cis</i>-{<i>trans</i>-1,2-Bis[2-(diphenylphosphino)benzamido]cyclohexane-κ^2^<i>P,P</i>'}dichloroplatinum(II) chloroform trisolvate","Acta Crystallographica Section E","2004","60","8","m1163","m1165","10.1107/S1600536804017209","","","0.71073","MoKα","","0.0457","0.0364","","","0.0866","0.0919","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204063","7.8301","0.0009","18.6827","0.0019","13.884","0.0014","90","","103.013","0.009","90","","1978.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-5-methyl-6,7,8,9,10,11- hexahydrocycloocta[e][1,3]oxazolo[3,2-a]pyridin-12-ium perchlorate","","- C20 H21 Cl2 N O5 -","- C20 H21 Cl2 N O5 -","- C80 H84 Cl8 N4 O20 -","4","1","NA6346","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","2-(4-Chlorophenyl)-5-methyl-6,7,8,9,10,11-hexahydrocycloocta[<i>e</i>][1,3]oxazolo[3,2-<i>a</i>]pyridin-12-ium perchlorate","Acta Crystallographica Section E","2004","60","8","o1301","o1302","10.1107/S1600536804014345","","","1.5418","CuKα","","0.0744","0.0452","","","0.112","0.1244","","","","","","0.929","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204064","12.699","0.004","13.885","0.004","7.252","0.002","90","","90","","90","","1278.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","catena-Poly[[chlorocopper(I)]-μ-1,3-di-4-pyridylpropane-k^2^N:N']","","- C13 H14 Cl Cu N2 -","- C13 H14 Cl Cu N2 -","- C52 H56 Cl4 Cu4 N8 -","4","0.5","NG6036","En Tang; Yu-Mei Dai; Shen Lin","<i>catena</i>-Poly[[chlorocopper(I)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","8","m1095","m1096","10.1107/S1600536804016320","","","0.71073","MoKα","","","0.0887","","","0.1752","0.2003","","","","","","1.109","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204065","7.499","0.001","14.525","0.002","15.049","0.001","90","","101.15","0.04","90","","1608.2","0.4","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 N4 Zn -","- C16 H12 Cl2 N4 Zn -","- C64 H48 Cl8 N16 Zn4 -","4","1","OB6380","Ömer Çelik; Semra İde; Mustafa Kurt; Şenay Yurdakul","Dichlorobis(phthalazine)zinc(II)","Acta Crystallographica Section E","2004","60","8","m1134","m1136","10.1107/S1600536804016915","","","0.71073","MoKα","","","0.0402","","","","0.10005","","","","","","0.992","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204066","29.7459","0.0006","11.2443","0.0002","8.8337","0.0002","90","","90","","90","","2954.6","0.1","293","1","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C128 H128 O24 S8 -","8","1","OB6382","Weiming Xu; Xiu-Rong Hu; Jian-Ming Gu","(Z)-1-Methoxy-1-phenyl-2-(4-toluenesulfonyl)ethene","Acta Crystallographica, Section E","2004","60","8","o1325","o1326","10.1107/S1600536804016356","","","0.7107","MoKα","","","0.047","","","","0.143","","","","","","1.003","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204067","11.432","0.003","14.722","0.003","9.321","0.002","90","","113.32","0.003","90","","1440.6","0.6","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-amino-N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","","- C15 H15 Cl N2 O S -","- C15 H15 Cl N2 O S -","- C60 H60 Cl4 N8 O4 S4 -","4","1","OB6383","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","2-Amino-<i>N</i>-(2-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","Acta Crystallographica Section E","2004","60","8","o1431","o1432","10.1107/S1600536804016575","","","0.71073","MoKα","","0.0604","0.0522","","","0.1351","0.1429","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204068","17.882","0.006","7.494","0.003","18.596","0.006","90","","105.2","0.005","90","","2404.8","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-1,5-Dicyanamido-bis[chloro(1,4,7-triazacyclononane)copper(II)] perchlorate","","- C14 H30 Cl3 Cu2 N9 O4 -","- C14 H30 Cl3 Cu2 N9 O4 -","- C56 H120 Cl12 Cu8 N36 O16 -","4","1","OB6384","Zhao-Dong Wang; Wei Han; Shi-Ping Yan; Dai-Zheng Liao; Zong-Hui Jiang; Peng Cheng","μ-1,5-Dicyanamido-bis[chloro(1,4,7-triazacyclononane)copper(II)] perchlorate","Acta Crystallographica Section E","2004","60","8","m1137","m1138","10.1107/S1600536804017076","","","0.71073","MoKα","","0.0776","0.0425","","","0.0918","0.1026","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204069","7.979","0.002","11.888","0.003","10.618","0.002","90","","111.21","0.01","90","","938.9","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N5 S2 -","- C5 H11 N5 S2 -","- C20 H44 N20 S8 -","4","1","OB6385","Tetsuzo Ito; Hiroshi Ohki; Takayuki Suyama","N^1^,N^1^-Dimethyl-N^5^-dithiocarboxybiguanide","Acta Crystallographica, Section E","2004","60","8","o1396","o1397","10.1107/S1600536804017775","","","0.7107","MoKα","","","0.0334","","","","0.0367","","","","","","1.713","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204070","6.934","0.009","8.103","0.008","15.1","0.02","95.92","0.04","102.76","0.05","98.04","0.04","811.4","1.7","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Ag N2 O10 -","- C14 H13 Ag N2 O10 -","- C28 H26 Ag2 N4 O20 -","2","1","OB6386","Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(6-Carboxylatopyridine-2-carboxylic acid-κ^2^<i>N</i>,<i>O</i>)(pyridine-2,6-dicarboxylic acid-κ^2^<i>N</i>,<i>O</i>)silver(I) dihydrate","Acta Crystallographica Section E","2004","60","8","m1178","m1180","10.1107/S1600536804018033","","","0.7107","MoKα","","","0.025","","","","0.079","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204071","5.482","0.004","5.383","0.002","37.412","0.002","90","","91.5","0.02","90","","1103.6","0.9","296","1","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Br2 -","- C20 H40 Br2 -","- C40 H80 Br4 -","2","0.5","OB6387","Naotake Nakamura; Akira Ohishi","1,20-Dibromoicosane","Acta Crystallographica Section E","2004","60","8","o1408","o1410","10.1107/S1600536804017556","","","1.5418","CuKα","","","0.038","","","","0.116","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204072","8.1435","0.0008","12.3788","0.0013","13.2782","0.0014","90","","95.332","0.002","90","","1332.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N'-Benzoyl-N-(o-cholorophenyl)thiourea","","- C14 H11 Cl N2 O S -","- C14 H11 Cl N2 O S -","- C56 H44 Cl4 N8 O4 S4 -","4","1","OB6388","M. Sukeri M. Yusof; Bohari M. Yamin","<i>N</i>-Benzoyl-<i>N</i>'-(2-chlorophenyl)thiourea","Acta Crystallographica Section E","2004","60","8","o1403","o1404","10.1107/S1600536804017544","","","0.71073","MoKα","","0.058","0.043","","","0.103","0.113","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204073","8.3813","0.0013","9.6623","0.0016","27.056","0.004","90","","90","","90","","2191.1","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","OB6390","Fei Gao; Caixia Yin; Pin Yang; Gang Xue","2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","Acta Crystallographica, Section E","2004","60","8","o1327","o1328","10.1107/S1600536804016587","","","0.71073","MoKα","","0.0449","0.0406","","","0.1113","0.1146","","","","","","1.064","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204074","15.559","0.003","11.1768","0.0019","23.057","0.004","90","","90","","90","","4009.6","1.2","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3,7-trimethyl-9-(5,5-dimethyl-3-hydroxy-2-cyclohexene- 1-one-2-yl)-1-oxo-1,2,3,4,9,10-hexahydroxanthene","","- C24 H28 O4 -","- C24 H28 O4 -","- C192 H224 O32 -","8","1","OB6392","Yu-Ling Li; Xiang-Shan Wang; Da-Qing Shi; Shu-Jiang Tu; Yong Zhang","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3,3,7-trimethyl-1,2,3,4-hexahydro-9<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2004","60","8","o1439","o1441","10.1107/S1600536804018276","","","0.7107","MoKα","","0.0971","0.084","","","0.1611","0.1668","","","","","","1.258","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204075","7.649","0.001","9.332","0.001","14.725","0.002","74.34","0.01","75.77","0.01","71.16","0.01","943.2","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 9-amino-7-(4-methoxyphenyl)-7H-pyrano[3,2-c]coumarin-8-carboxylate","","- C22 H19 N O6 -","- C22 H19 N O6 -","- C44 H38 N2 O12 -","2","1","OB6393","Jing Wang; Daqing Shi; Xiangshan Wang","Ethyl 9-amino-7-(4-methoxyphenyl)-7<i>H</i>-pyrano[3,2-<i>c</i>]coumarin-8-carboxylate","Acta Crystallographica Section E","2004","60","8","o1401","o1402","10.1107/S1600536804017787","","","0.71073","MoKα","","0.0589","0.0371","","","0.0904","0.0948","","","","","","0.949","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204076","19.006","0.006","12.836","0.003","11.484","0.004","90","","107.764","0.007","90","","2668.1","1.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-chloro-3-(4-methylphenyl)-3,4-dihydroquinazolin-2(1H)-one","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C120 H104 Cl8 N16 O8 -","8","1","OB6394","Daqing Shi; Chunling Shi; Zhengyi Li; Xiangshan Wang","6-Chloro-3-(<i>p</i>-tolyl)-3,4-dihydroquinazolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","8","o1429","o1430","10.1107/S1600536804018124","","","0.7107","MoKα","","0.0707","0.065","","","0.1636","0.1689","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204077","10.5362","0.0006","6.5254","0.0002","10.6656","0.0004","90","","97.79","0.001","90","","726.52","0.05","296","1","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H18 O -","- C19 H18 O -","- C38 H36 O2 -","2","0.5","OB6395","Xiu-Rong Hu; Jian-Ming Gu; Wei-Ming Xu","2,4-Dimethyl-1,5-diphenylpenta-1,4-dien-3-one","Acta Crystallographica Section E","2004","60","8","o1437","o1438","10.1107/S1600536804018021","","","0.7107","MoKα","","","0.034","","","","0.099","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204078","10.14","0.0016","12.3079","0.0019","10.6624","0.0018","90","","110.95","0.012","90","","1242.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(2,4-Dinitrophenyl)hydrazono]butan-2-one oxime","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C40 H44 N20 O20 -","4","1","RN6016","Hanife Saraçoĝlu; Ceyda Davran; Serkan Soylu; Ömer Andaç; Hümeyra Batı; Nezihe Çalışkan","3-[(2,4-Dinitrophenyl)hydrazono]butan-2-one oxime","Acta Crystallographica Section E","2004","60","8","o1307","o1309","10.1107/S1600536804015235","","","0.71069","MoKα","","0.0969","0.0496","","","0.1151","0.1322","","","","","","0.871","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204079","7.8173","0.0019","19.979","0.004","9.3411","0.0018","90","","91.004","0.009","90","","1458.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloro(N-cyclohexyl-N,N',N'-trimethylethylenediamine)copper(II)","","- C11 H24 Cl2 Cu N2 -","- C11 H24 Cl2 Cu N2 -","- C44 H96 Cl8 Cu4 N8 -","4","1","RN6018","Johansson, Anna; Hakansson, Mikael","Dichloro(<i>N</i>-cyclohexyl-<i>N,N</i>',<i>N</i>'-trimethylethylenediamine-κ^2^<i>N,N</i>')copper(II)","Acta Crystallographica Section E","2004","60","8","m1068","m1070","10.1107/S1600536804015909","","","0.71073","MoKα","","0.0587","0.0428","","","0.0997","0.1067","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204080","10.423","0.003","16.223","0.003","13.244","0.003","90","","99.62","0.02","90","","2208","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Dibromobis(1,10-phenanthroline)manganese(II)","","- C24 H16 Br2 Mn N4 -","- C24 H16 Br2 Mn N4 -","- C96 H64 Br8 Mn4 N16 -","4","1","RN6019","Shen, Xiao-Ping; Yuan, Ai-Hua","<i>cis</i>-Dibromobis(1,10-phenanthroline)manganese(II)","Acta Crystallographica Section E","2004","60","8","m1074","m1075","10.1107/S1600536804015983","","","0.71073","MoKα","","0.0701","0.0477","","","0.0954","0.0993","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204081","7.229","0.003","13.112","0.005","19.334","0.007","90","","90","","90","","1832.6","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11-Hydroxy-16,17-epoxypregn-4-ene-3,20-dione","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","SU6093","Yongli Wang; Shi Wang; Hongxun Hao; Wei Chen; Qiang Nie","11-Hydroxy-16,17-epoxypregn-4-ene-3,20-dione","Acta Crystallographica, Section E","2004","60","8","o1337","o1338","10.1107/S1600536804012115","","","0.71073","MoKα","","0.0788","0.0467","","","0.0906","0.1015","","","","","","1.045","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204082","9.21","0.005","18.394","0.01","13.215","0.007","90","","109.657","0.008","90","","2108","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl2 N5 O3 Zn -","- C19 H19 Cl2 N5 O3 Zn -","- C76 H76 Cl8 N20 O12 Zn4 -","4","1","SU6118","Dong-Zhao, Gao; Shou-Rong, Zhu; Hua-Kuan, Lin","A new zinc(II) complex with a peptide ligand: aqua{<i>N,N</i>-bis[2-(2-pyridyl)methyl]pyridine-2,6-dicarboxamide}dichlorozinc(II)","Acta Crystallographica Section E","2004","60","8","m1038","m1039","10.1107/S1600536804015569","","","0.71073","MoKα","","0.0912","0.0543","","","0.1109","0.1245","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204083","12.8261","0.001","8.9942","0.0007","14.6896","0.0012","90","","104.217","0.001","90","","1642.7","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(2,5-dioxo-2,5-dihydro-1H- pyrrol-1-yl)-1H-pyrazole-3-carbonitrile","","- C15 H5 Cl2 F3 N4 O2 -","- C15 H5 Cl2 F3 N4 O2 -","- C60 H20 Cl8 F12 N16 O8 -","4","1","SU6121","Yang, Zhiping; Zhong, Ping; Hu, Maolin","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(2,5-dioxo-2,5-dihydro-1H- pyrrol-1-yl)-1H-pyrazole-3-carbonitrile","Acta Crystallographica, Section E","2004","60","8","o1350","o1351","10.1107/S1600536804016678","","","0.71073","MoKα","","0.0652","0.0552","","","0.1571","0.165","","","","","","1.056","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204084","4.805","0.001","12.047","0.002","14.666","0.003","114.06","0.03","90.4","0.03","101.19","0.03","756.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C28 H20 Br4 O12 -","4","2","SU6123","Liu, Zhao-Di; Qu, Yang; Tan, Min-Yu; Zhu, Hai-Liang","5-Bromosalicylic acid","Acta Crystallographica Section E","2004","60","8","o1310","o1311","10.1107/S1600536804016411","","","0.71073","MoKα","","0.0885","0.048","","","0.0952","0.1106","","","","","","0.949","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204085","8.3129","0.0011","11.2119","0.0015","10.2947","0.0014","90","","92.769","0.002","90","","958.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-Nitrobenzaldehyde O-acetyloxime","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C36 H32 N8 O16 -","4","1","SU6124","Marco A. Brito-Arias; Efrén V. García-Báez; Gustavo Valencia del Toro; Herbert Höpfl","(<i>E</i>)-3-Nitrobenzaldehyde <i>O</i>-acetyloxime","Acta Crystallographica Section E","2004","60","8","o1451","o1452","10.1107/S1600536804018410","","","0.71073","MoKα","","0.0742","0.0612","","","0.1498","0.1576","","","","","","1.124","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204086","7.725","0.005","15.67","0.009","10.342","0.006","90","","90","","90","","1251.9","1.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-Bis(2-furylmethylidene)-3,4,5,6-tetrahydropyrimidin-2(1H)-one","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","0.5","SU6125","You, Zhong-Lu; Zhu, Hai-Liang","1,3-Bis(2-furylmethylidene)-3,4,5,6-tetrahydropyrimidin-2(1H)-one","Acta Crystallographica, Section E","2004","60","8","o1352","o1353","10.1107/S1600536804016927","","","0.71073","MoKα","","0.1125","0.0631","","","0.1471","0.1695","","","","","","0.911","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204087","5.638","0.002","8.394","0.002","9.897","0.002","90","","90.61","0.03","90","","468.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[(2-amino-3-hydroxypropionato)nickel(II)]-μ-2-amino-3- hydroxypropionato]","","- C6 H12 N2 Ni O6 -","- C6 H12 N2 Ni O6 -","- C12 H24 N4 Ni2 O12 -","2","1","SU6126","Sun, Yu-Xi; You, Zhong-Lu","<i>catena</i>-Poly[[(2-amino-3-hydroxypropionato)nickel(II)]-μ-2-amino-3-hydroxypropionato]","Acta Crystallographica Section E","2004","60","8","m1199","m1201","10.1107/S1600536804018422","","","0.71073","MoKα","","0.0398","0.0366","","","0.0651","0.0666","","","","","","0.961","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204088","13.439","0.003","4.878","0.003","15.483","0.003","90","","97.05","0.03","90","","1007.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Ammonio-3-phenylpropanoic acid‒monohydrogen sulfate‒2-ammonio-3-phenylpropanoate (1/1/1)","","- C18 H24 N2 O8 S -","- C18 H24 N2 O8 S -","- C36 H48 N4 O16 S2 -","2","1","SU6127","Sun, Yu-Xi; You, Zhong-Lu","2-Ammonio-3-phenylpropanoic acid‒monohydrogen sulfate‒2-ammonio-3-phenylpropanoate (1/1/1)","Acta Crystallographica Section E","2004","60","8","o1447","o1448","10.1107/S1600536804018434","","","0.71073","MoKα","","0.1221","0.0745","","","0.1392","0.1627","","","","","","0.948","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204089","12.178","0.002","14.414","0.003","23.357","0.005","90","","90","","90","","4099.9","1.4","100","2","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H13 F3 N3 O6 Re S -","- C19 H13 F3 N3 O6 Re S -","- C152 H104 F24 N24 O48 Re8 S8 -","8","1","TK6168","Kayode Oshin; Arthur M. Landis; Bradley W. Smucker; David M. Eichhorn; D. Paul Rillema","<i>fac</i>-Bipyridyltricarbonyl(pyridine)rhenium(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2004","60","8","m1126","m1127","10.1107/S1600536804015016","","","0.71073","MoKα","","","0.033","","","","0.074","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204090","8.5568","0.0014","13.822","0.002","23.295","0.004","90","","90.842","0.019","90","","2754.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4,2',4'-tetrabromo diphenyl ether","bis(2,4-dibromophenyl) ether","","- C12 H6 Br4 O -","- C12 H6 Br4 O -","- C96 H48 Br32 O8 -","8","2","TK6176","Eriksson, Lars; Eriksson, Johan; Hu, Jiwei","Bis(2,4-dibromophenyl) ether","Acta Crystallographica Section E","2004","60","8","o1424","o1426","10.1107/S1600536804017520","","","0.71073","MoKα","","0.07","0.029","","","0.044","0.05","","","","","","0.86","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204091","7.651","0.003","9.268","0.002","16.721","0.004","79.36","0.02","84.17","0.02","69.78","0.02","1092.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N12 Ni O -","- C20 H20 N12 Ni O -","- C40 H40 N24 Ni2 O2 -","2","1","TK6177","Villanueva, Mónica; Urtiaga, M. Karmele; Mesa, José L.; Arriortua, M. Isabel","Diazidobis(2,2'-dipyridylamine)nickel(II) monohydrate","Acta Crystallographica Section E","2004","60","8","m1175","m1177","10.1107/S1600536804017532","","","0.7107","MoKα","","0.058","0.035","","","","0.093","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204092","6.4237","0.0018","13.445","0.004","14.054","0.004","90","","90","","90","","1213.8","0.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br2 N2 O3 -","- C9 H10 Br2 N2 O3 -","- C36 H40 Br8 N8 O12 -","4","1","WK6020","Xiang Chao Zeng; Shi Hai Xu; Qin Ying Deng; Ji Wen Cai; Shu Hao Guo; Jian Gu; Dong Hong He","Methyl (4,5-dibromo-1-methyl-1<i>H</i>-pyrrole-2-carbonylamino)acetate","Acta Crystallographica Section E","2004","60","8","o1283","o1284","10.1107/S1600536804015491","","","0.71073","MoKα","","0.0363","0.0275","","","0.0649","0.0682","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204093","11.5621","0.0008","11.5621","0.0008","11.5621","0.0008","90","","90","","90","","1545.65","0.19","293","2","298","2","","","","","","","","5","P n -3 m :2","-P 4bc 2bc 3","224","Potassium/hydronium 12-Tungstophosphate","","","- H1.62 K2.46 O40.54 P W12 -","- K2.46 O40.54 P W12 -","- K4.92 O81.08 P2 W24 -","2","0.0416667","WM6022","Youjun Kang; Manrong Li; Jingtai Zhao; Shaoyu Mao","The Keggin-type potassium/hydronium 12-tungstophosphate, K~2.4~(H~3~O)~0.6~PO~4~W~12~O~36~","Acta Crystallographica Section E","2004","60","8","i97","i99","10.1107/S160053680401551X","","","0.71073","MoKα","","0.0445","0.0377","","","0.0878","0.0915","","","","","","1.149","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204094","7.1357","0.001","16.986","0.003","7.8957","0.0012","90","","90.585","0.002","90","","957","0.3","153","2","153","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Cu Se6 Sm3 -","- Cu Se6 Sm3 -","- Cu4 Se24 Sm12 -","4","1","WM6023","Ijjaali, Ismail; Ibers, James A.","An ordered polymorph of copper trisamarium hexaselenide, CuSm~3~Se~6~","Acta Crystallographica Section E","2004","60","8","i89","i90","10.1107/S1600536804015776","","","0.71073","MoKα","","0.05","0.0394","","","0.0968","0.1033","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204095","11.474","0.001","10.894","0.001","6.1885","0.0004","90","","90","","90","","773.55","0.11","11","0.5","11","0.5","","","","","","","","3","P n m a","-P 2ac 2n","62","Chromium hexacarbonyl","Hexacarbonylchromium(0)","","- C6 Cr O6 -","- C6 Cr O6 -","- C24 Cr4 O24 -","4","0.5","WM6024","Figgis, Brian N.; Sobolev, Alexandre N.","Hexacarbonylchromium(0) at 11K","Acta Crystallographica Section E","2004","60","8","i93","i94","10.1107/S1600536804016174","","","0.71073","MoKα","","0.0206","0.0199","","","0.0539","0.0543","","","","","","1.137","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204096","4.003","0.0003","13.7095","0.001","13.8146","0.001","90","","90","","90","","758.13","0.1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","Rubidium digadolinium copper tetrasulfide","","- Cu Gd2 Rb S4 -","- Cu Gd2 Rb S4 -","- Cu4 Gd8 Rb4 S16 -","4","0.25","WM6025","Yao, Jiyong; Ibers, James A.","RbGd~2~CuS~4~","Acta Crystallographica Section E","2004","60","8","i95","i96","10.1107/S1600536804016460","","","0.71073","MoKα","","0.02","0.0198","","","0.0582","0.0584","","","","","","1.403","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204097","24.02","0.02","10.563","0.009","16.41","0.014","90","","100.9","0.018","90","","4089","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-(4-Chlorophenyl)-4-(O,O'-diethylphosphono)-2-phenylisoxazolidine","","- C19 H23 Cl N O4 P -","- C19 H23 Cl N O4 P -","- C152 H184 Cl8 N8 O32 P8 -","8","1","WN6248","Ye, Yong; Liu, Lun-Zu; Zhao, Yu-Fen","3-(4-Chlorophenyl)-4-(O,O'-diethylphosphono)-2-phenylisoxazolidine","Acta Crystallographica, Section E","2004","60","8","o1329","o1330","10.1107/S1600536804016599","","","0.71073","MoKα","","0.1775","0.0698","","","0.161","0.2112","","","","","","1.013","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204098","9.884","0.003","9.924","0.003","11.738","0.003","94.267","0.005","91.985","0.004","116.676","0.004","1023","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-methoxyphenyl)-1-phenyl-3-(p-toluenesulfonylamino)propan-1-one","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","WN6259","Yu, Zhifang; Gu, Xiuyan; Zhao, Bing; Li, Yan","3-(4-Methoxyphenyl)-1-phenyl-3-(<i>p</i>-toluenesulfonylamino)propan-1-one","Acta Crystallographica Section E","2004","60","8","o1290","o1291","10.1107/S1600536804015661","","","0.71073","MoKα","","0.0805","0.05","","","0.111","0.1271","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204099","7.404","0.003","10.276","0.004","14.963","0.005","90","","90","","90","","1138.4","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7-(4-Methylphenyl)pyrazolo[2,3-a]pyrimidine-3-carbonitrile","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","WN6260","Li-Rong Wen; Shu-Wen Wang; Hai-Zhen Xu; Xiu-Li Zhang; Ming Li; Jin-Hong Liu","7-(4-Methylphenyl)pyrazolo[1,5-<i>a</i>]pyrimidine-3-carbonitrile","Acta Crystallographica Section E","2004","60","8","o1294","o1295","10.1107/S1600536804015673","","","0.71073","MoKα","","0.0514","0.0361","","","0.0807","0.0873","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204100","18.531","0.005","13.431","0.003","24.043","0.004","90","","95.23","0.02","90","","5959","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4,4,6,6-Tetrachloro-1',3'-[2,2'-(3-oxapentane-1,5-dioxy)dibenzyl]- 2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene-2-spiro-2'-1,3,2-diazaphospholane benzene hemisolvate","","- C23 H27 Cl4 N5 O3 P3 -","- C23 H27 Cl4 N5 O3 P3 -","- C184 H216 Cl32 N40 O24 P24 -","8","1","WN6263","Tercan, Barış; Hökelek, Tuncer; Bilge, Selen; Demiriz, Şemsay; Kılıç, Zeynel","4,4,6,6-Tetrachloro-1',3'-[2,2'-(3-oxapentane-1,5-dioxy)dibenzyl]- 2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene-2-spiro-2'-1,3,2-diazaphospholane benzene hemisolvate","Acta Crystallographica, Section E","2004","60","8","o1369","o1372","10.1107/S1600536804017118","","","1.54184","CuKα","","0.1042","0.0674","","","0.1717","0.197","","","","","","1.034","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204101","6.817","0.003","8.598","0.004","10.457","0.005","97.748","0.006","99.66","0.006","110.765","0.005","552.3","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","Methyl 2-[hydroxy(4-nitrophenyl)methyl]acrylate","Methyl 2-[hydroxy(4-nitrophenyl)methyl]acrylate","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","WN6264","Yin, Caixia; Huo, Fangjun; Yang, Pin","Methyl 2-[hydroxy(4-nitrophenyl)methyl]acrylate","Acta Crystallographica, Section E","2004","60","8","o1331","o1332","10.1107/S1600536804016605","","","0.71073","MoKα","","0.0608","0.0427","","","0.0984","0.1065","","","","","","0.962","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204102","15.651","0.003","7.597","0.002","18.848","0.004","90","","90","","90","","2241","0.9","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Dichlorotetrakis(3-hydroxypyridine)cobalt(II)","","- C20 H20 Cl2 Co N4 O4 -","- C20 H20 Cl2 Co N4 O4 -","- C80 H80 Cl8 Co4 N16 O16 -","4","0.5","WN6266","Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Lu, Zhen-Zhong; Zhao, Hui; Zhao, Jing-Gui","Dichlorotetrakis(3-hydroxypyridine)cobalt(II)","Acta Crystallographica Section E","2004","60","8","m1128","m1130","10.1107/S160053680401712X","","","0.71073","MoKα","","0.055","0.038","","","0.09","0.098","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204103","37.557","0.005","5.3553","0.0006","12.3209","0.0015","90","","107.412","0.004","90","","2364.6","0.5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Bis(3-methoxybenzyl)-3,3'-methylenediimidazolium dibromide","","- C23 H25 Br2 N4 O2 -","- C23 H25 Br2 N4 O2 -","- C92 H100 Br8 N16 O8 -","4","0.5","WN6267","Lee, Hon Man; Chiu, Pei Ling","1,1'-Bis(3-methoxybenzyl)-3,3'-methylenediimidazolium dibromide","Acta Crystallographica, Section E","2004","60","8","o1384","o1385","10.1107/S160053680401757X","","","0.71073","MoKα","","0.0446","0.029","","","0.0696","0.0768","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204104","9.465","0.002","10.316","0.002","12.518","0.003","79.521","0.017","88.45","0.017","64.259","0.017","1080.8","0.4","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N3 O4 -","- C23 H25 N3 O4 -","- C46 H50 N6 O8 -","2","1","WN6269","Baumer, Vyacheslav N.; Kovalenko, Sergiy M.; Sytnyk, Kostyantyn M.; Chernykh, Valentyn P.","6-Hexyl-7-hydroxy-3-(3-phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-chromen-2-one monohydrate","Acta Crystallographica Section E","2004","60","8","o1417","o1418","10.1107/S1600536804018082","","","0.71073","MoKα","","","0.045","","","","0.099","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204105","9.613","0.004","11.759","0.005","16.571","0.007","90","","90","","90","","1873.1","1.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-[7-Fluoro-3,4-dihydro-4-(3-iodoprop-2-ynyl)-3-oxo-2H-1,4-benzoxazin-6-yl]- 4,5,6,7-tetrahydro-2H-isoindole-1,3-dione","","- C19 H14 F I N2 O4 -","- C19 H14 F I N2 O4 -","- C76 H56 F4 I4 N8 O16 -","4","1","WW6219","Hou, Zhong-Ke; Ren, Ye-Guo; Huang, Ming-Zhi; Song, Jian; Chen, Li-Gong","2-[7-Fluoro-3,4-dihydro-4-(3-iodoprop-2-ynyl)-3-oxo-2H-1,4-benzoxazin-6-yl]- 4,5,6,7-tetrahydro-2H-isoindole-1,3-dione","Acta Crystallographica, Section E","2004","60","8","o1335","o1336","10.1107/S160053680401637X","","","0.71073","MoKα","","0.0534","0.0299","","","","0.06","","","","","","0.989","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204106","14.46","0.004","10.112","0.003","20.394","0.005","90","","91.459","0.005","90","","2981","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(p-phenylenedioxy)diacetato]bis(2,2'-bipyridine)copper(II) tetrahydrate","","- C30 H32 Cu N4 O10 -","- C30 H32 Cu N4 O10 -","- C120 H128 Cu4 N16 O40 -","4","1","WW6234","Du, Miao; Cai, Hua; Zhao, Xiao-Jun","A two-dimensional hydrogen-bonding supramolecular architecture of bis(2,2'-bipyridine)[(<i>p</i>-phenylenedioxy)diacetato]copper(II) tetrahydrate","Acta Crystallographica Section E","2004","60","8","m1139","m1141","10.1107/S1600536804017064","","","0.71073","MoKα","","0.1331","0.054","","","0.1223","0.1504","","","","","","0.975","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204107","7.6985","0.0003","10.9638","0.0003","11.3244","0.0004","87.081","0.002","76.032","0.002","73.524","0.002","889.33","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Methylene blue nitrate dihydrate","3,7-Bis(dimethylamino)phenothiazin-5-ium nitrate dihydrate","","- C16 H22 N4 O5 S -","- C16 H22 N4 O5 S -","- C32 H44 N8 O10 S2 -","2","1","WW6237","Savaridasson Jose Kavitha; Mani Mohan Raj; Krishnaswamy Panchanatheswaran; Daniel E. Lynch","3,7-Bis(dimethylamino)phenothiazin-5-ium nitrate dihydrate","Acta Crystallographica, Section E","2004","60","8","o1366","o1368","10.1107/S1600536804017222","","","0.71073","MoKα","","0.0854","0.0682","","","0.1963","0.2055","","","","","","1.129","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204108","9.379","0.002","11.655","0.003","7.322","0.003","90","","105.31","0.03","90","","772","0.4","298.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","WW6240","Kubono, Koji; Kazumasa, Kushida; Yokoi, Kunihiko","N,N'-Bis(5-chlorosalicylidene)ethane-1,2-diamine","Acta Crystallographica, Section E","2004","60","8","o1382","o1383","10.1107/S1600536804017052","","","0.7107","MoKα","","","0.042","","","","0.132","","","","","","0.978","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204109","14.535","0.003","5.34","0.001","9.731","0.002","90","","90","","90","","755.3","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-Poly[[diaquamanganese(II)]-μ-iminodiacetato-κ^4^O,N,O':O'']","","- C4 H9 Mn N O6 -","- C4 H7 Mn N O6 -","- C16 H28 Mn4 N4 O24 -","4","1","WW6246","Zhang, Quan-Zheng; Lu, Can-Zhong","<i>catena</i>-Poly[[diaquamanganese(II)]-μ-iminodiacetato-κ^4^<i>O,N,O</i>':<i>O</i>'']","Acta Crystallographica Section E","2004","60","08","m1189","m1190","10.1107/S1600536804017908","","","0.71073","MoKα","","0.0179","0.0176","","","0.0465","0.0466","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204110","16.612","0.009","18.311","0.009","12.598","0.007","90","","90","","90","","3832","4","295","2","295","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","Di-μ-hydroxo-[(N,N,N',N'-tetramethylethylenediamine)copper(II)] dichloride","","- C12 H34 Cl2 Cu2 N4 O2 -","- C12 H34 Cl2 Cu2 N4 O2 -","- C96 H272 Cl16 Cu16 N32 O16 -","8","0.25","YA6211","Dmitry V. Albov; Dmitry V. Davydov; Vladimir V. Chernyshev","Di-μ-hydroxo-bis[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)] dichloride from X-ray powder data","Acta Crystallographica Section E","2004","60","8","m1193","m1195","10.1107/S1600536804018264","","","1.5406","CuKα~1~","","","","","","","","","","3.702","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204111","15.202","0.005","11.241","0.004","12.268","0.004","90","","90","","90","","2096.4","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis(2-aminoethyl-1H-benzimidazole-κN^3^)chlorocopper(II) perchlorate","","- C18 H22 Cl2 Cu N6 O4 -","- C18 H22 Cl2 Cu N6 O4 -","- C72 H88 Cl8 Cu4 N24 O16 -","4","0.5","YA6212","Hai-Yan, Zhao; Xiao-Hang, Qiu; Pan-Wen, Shen","Bis(2-aminoethyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)chlorocopper(II) perchlorate","Acta Crystallographica Section E","2004","60","8","m1111","m1113","10.1107/S1600536804016332","","","0.71073","MoKα","","0.05","0.03","","","0.07","0.079","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204112","6.372","0.002","8.184","0.003","8.649","0.003","72.349","0.005","81.745","0.006","80.865","0.005","422.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,5-bis(1-piperidinylmethyl)benzene-1,4-diol","","- C18 H28 N2 O2 -","- C18 H28 N2 O2 -","- C18 H28 N2 O2 -","1","0.5","YA6213","Dongyan Yuan; Mingjie Zhang; Zhaohui Pan; Penggao Ma","2,5-Bis(1-piperidinylmethyl)benzene-1,4-diol","Acta Crystallographica, Section E","2004","60","8","o1320","o1321","10.1107/S1600536804016344","","","0.71073","MoKα","","0.084","0.051","","","0.113","0.128","","","","","","1.06","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204113","9.8997","0.0006","10.5514","0.0006","13.739","0.001","90","","103.613","0.003","90","","1394.8","0.16","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-phosphoramido-2-aminobenzimidazole","1-(N,N,N',N'-Tertramethylphosphoramido)-2-aminobenz[d]imidazole","","- C11 H18 N5 O P -","- C11 H18 N5 O P -","- C44 H72 N20 O4 P4 -","4","1","AC6108","Raouafi, NourEddine; Freytag, Matthias; Jones, Peter G.; BenKhoud, Mohamed Lamine","2-Amino-1-[bis(<i>N</i>,<i>N</i>-dimethylamino)phosphoramido]benzimidazole","Acta Crystallographica Section E","2004","60","9","o1583","o1585","10.1107/S1600536804020161","","","0.71073","MoKα","","0.0452","0.0353","","","0.0969","0.1023","","","","","","1.054","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204114","7.2089","0.0001","11.6317","0.0002","26.3219","0.0005","90","","90","","90","","2207.14","0.06","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7S)-N-(4-Phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl)-2,10-camphorsultam","","- C26 H31 N O3 S -","- C26 H31 N O3 S -","- C104 H124 N4 O12 S4 -","4","1","AC6109","Lough, Alan J.; Villeneuve, Karine; Tam, William","(7<i>S</i>)-<i>N</i>-(4-Phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl)-2,10-camphorsultam","Acta Crystallographica Section E","2004","60","9","o1566","o1567","10.1107/S1600536804019804","","","0.71073","MoKα","","0.0584","0.0415","","","0.0957","0.1035","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204115","16.699","0.003","6.0327","0.0012","18.977","0.004","90","","107.06","0.03","90","","1827.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","catena-Poly[[aquabis(1H-imidazole-κN^3^)copper(II)]-μ- benzene-1,4-dioxyacetato-κ^2^O:O']","Catena-poly[aquabis(1H-imidazole-κN^3^)copper(II)-μ-benzene- phenylenedioxydiacetato-κ^2^O,O']","","- C16 H18 Cu N4 O7 -","- C16 H18 Cu N4 O7 -","- C64 H72 Cu4 N16 O28 -","4","1","AC6110","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","<i>catena</i>-Poly[[aquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-benzene-1,4-dioxyacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","9","m1267","m1269","10.1107/S1600536804019798","","","0.71073","MoKα","","0.093","0.054","","","0.099","0.109","","","","","","1.05","","","","has coordinates,has Fobs","194596","2020-10-21","18:00:00",""
"2204116","13.659","0.002","16.16","0.002","9.5621","0.0014","90","","102.561","0.003","90","","2060.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-{3-Isopropoxy-4-methoxy-2-[(E)-1-propenyl]benzyl}(phenyl)methanesulfonamide","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","AC6112","Otterlo, Willem A. L. van; Panayides, Jenny-Lee; Fernandes, Manuel A.","<i>N</i>-{3-Isopropoxy-4-methoxy-2-[(<i>E</i>)-1-propenyl]benzyl}(phenyl)methanesulfonamide","Acta Crystallographica Section E","2004","60","9","o1586","o1588","10.1107/S1600536804020379","","","0.71073","MoKα","","0.0632","0.048","","","0.1276","0.1354","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204117","17.738","0.003","9.218","0.002","9.216","0.001","90","","90","","90","","1506.9","0.4","296","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C4 H12 O4 P2 Pb S4 -","- C4 H12 O4 P2 Pb S4 -","- C16 H48 O16 P8 Pb4 S16 -","4","0.5","AC6113","Tetsuzo Ito; Yoshinori Maeda","Linear-chain bis(μ-<i>O,O</i>'-dimethyl dithiophosphato)lead(II)","Acta Crystallographica Section E","2004","60","9","m1349","m1350","10.1107/S1600536804020914","","","0.7107","MoKα","","","0.029","","","","0.028","","","","","","1.261","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204118","15.41","0.03","15.41","0.03","8.617","0.012","90","","90","","120","","1772","5","273","2","273","2","","","","","","","","6","P 32","P 32","145","","Dibromo[2,2',3,3'-tetrahydro-3,3'-bis(4-methoxylbenzyl)-1,1'-methylenedi- 1H-imidazole-κ^2^C^2^,C^2'^]palladium(II)","","- C23 H24 Br2 N4 O2 Pd -","- C23 H24 Br2 N4 O2 Pd -","- C69 H72 Br6 N12 O6 Pd3 -","3","1","BR6157","Lee, Hon Man; Chiu, Pei Ling","Dibromo[2,2',3,3'-tetrahydro-3,3'-bis(4-methoxybenzyl)-1,1'-methylenedi-1<i>H</i>-imidazole-κ^2^<i>C</i>^2^,<i>C</i>^2'^]palladium(II)","Acta Crystallographica Section E","2004","60","9","m1276","m1277","10.1107/S1600536804018574","","","0.71073","MoKα","","0.0696","0.0518","","","0.1069","0.1131","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204119","10.5408","0.0009","11.5054","0.001","11.6538","0.001","61.951","0.001","75.18","0.001","87.642","0.001","1200.64","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-bis(2,6-di-1-naphthylphenyl)phosphanido]bis[(tetrahydrofuran)sodium(I)]","","- C60 H52 Na2 O2 P2 -","- C60 H52 Na2 O2 P2 -","- C60 H52 Na2 O2 P2 -","1","0.5","BR6158","Rabe, Gerd W.; Riederer, Florian A.; Incarvito, Christopher D.; Golen, James A.; Rheingold, Arnold L.","Bis[μ-bis(2,6-di-1-naphthylphenyl)phosphanido]bis[(tetrahydrofuran)sodium(I)]","Acta Crystallographica Section E","2004","60","9","m1264","m1266","10.1107/S1600536804019361","","","0.71073","MoKα","","0.0672","0.0532","","","0.1432","0.1542","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204120","7.9192","0.0002","11.1648","0.0003","12.4204","0.0004","90","","90","","90","","1098.17","0.05","183","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-ferrocenylprop-2-enal","","- C13 H12 Fe O -","- C13 H12 Fe O -","- C52 H48 Fe4 O4 -","4","1","BR6159","Imhof, Wolfgang","3-Ferrocenylprop-2-enal","Acta Crystallographica Section E","2004","60","9","m1234","m1236","10.1107/S1600536804019129","","","0.71073","MoKα","","0.0179","0.0174","","","0.0506","0.0512","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204121","10.0022","0.0001","20.6821","0.0003","13.732","0.0002","90","","106.09","0.001","90","","2729.41","0.06","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","fac-(bromo/chloro)tricarbonyl[1,3-bis(diphenylphosphino)propane]manganese(I)","","- C30 H26 Br0.3 Cl0.7 Mn O3 P2 -","- C30 H26 Br0.3 Cl0.7 Mn O3 P2 -","- C120 H104 Br1.2 Cl2.8 Mn4 O12 P8 -","4","1","BR6160","Light, Mark E.; Hursthouse, Michael B.; Beckett, Michael A.; Brassington, David S.","A mixed-halogen tricarbonylmanganese(I) complex: <i>fac</i>-[MnBr~0.3~Cl~0.7~{Ph~2~P(CH~2~)~3~PPh~2~}(CO)~3~]","Acta Crystallographica Section E","2004","60","9","m1245","m1247","10.1107/S1600536804019385","","","0.71073","MoKα","","0.0274","0.025","","","0.0627","0.064","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2204122","3.9451","0.0011","13.915","0.004","16.408","0.005","90","","90","","90","","900.7","0.5","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","rubidium diholmium tricopper pentasulfide","","- Cu3 Ho2 Rb S5 -","- Cu3 Ho2 Rb S5 -","- Cu12 Ho8 Rb4 S20 -","4","0.25","BR6161","Yao, Jiyong; Ibers, James A.","RbHo~2~Cu~3~S~5~","Acta Crystallographica Section E","2004","60","9","i118","i119","10.1107/S1600536804019786","","","0.71073","MoKα","","0.023","0.0226","","","0.0537","0.0539","","","","","","1.389","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204123","22.283","0.0007","7.6818","0.0003","16.1127","0.0003","90","","120.63","0.002","90","","2373.25","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquatetrakis(1H-imidazole-κN^3^)cobalt(II) terephthalate","","- C20 H24 Co N8 O6 -","- C20 H24 Co N8 O6 -","- C80 H96 Co4 N32 O24 -","4","0.5","BR6162","Zhang, Quan-Zheng; Lu, Can-Zhong","Diaquatetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) terephthalate","Acta Crystallographica Section E","2004","60","9","m1289","m1290","10.1107/S1600536804020069","","","0.71073","MoKα","","0.0575","0.0438","","","0.1151","0.1327","","","","","","1.079","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204124","7.7036","0.0015","9.962","0.002","14.548","0.003","82.6","0.03","78.23","0.03","82.77","0.03","1078.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[tris(1H-imidazole-κN^3^)cadmium(II)]-μ-benzene-1,4-dioxyacetato- κ^3^O,O':O'']","","- C19 H20 Cd N6 O6 -","- C19 H20 Cd N6 O6 -","- C38 H40 Cd2 N12 O12 -","2","1","BR6164","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","A one-dimensional chain Cd^II^ polymer: <i>catena</i>-poly[[tris(1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium(II)]-μ-benzene-1,4-dioxyacetato-κ^3^<i>O,O</i>':<i>O</i>'']","Acta Crystallographica Section E","2004","60","9","m1308","m1310","10.1107/S1600536804020409","","","0.71073","MoKα","","0.032","0.027","","","0.062","0.064","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204125","13.023","0.0004","8.947","0.0003","12.435","0.0003","90","","106.967","0.002","90","","1385.82","0.07","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","zinc","Dichlorobis(1,3-dimethylthiourea-κS)zinc(II)","","- C6 H16 Cl2 N4 S2 Zn -","- C6 H16 Cl2 N4 S2 Zn -","- C24 H64 Cl8 N16 S8 Zn4 -","4","0.5","BT6489","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.","Dichlorobis(1,3-dimethylthiourea-κ<i>S</i>)zinc(II)","Acta Crystallographica Section E","2004","60","9","m1317","m1318","10.1107/S1600536804020550","","","0.7107","MoKα","","0.0319","0.0281","","","0.0655","0.0671","","","","","","1.135","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204126","7.8525","0.0007","7.8036","0.0005","20.4482","0.0012","90","","90","","90","","1253.02","0.16","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1α,2β,3α,6β)-3,6-Dichlorocyclohex-4-ene-1,2-diyl diacetate","","- C10 H12 Cl2 O4 -","- C10 H12 Cl2 O4 -","- C40 H48 Cl8 O16 -","4","1","BT6494","Mehmet Akkurt; Sema Öztürk; Arif Baran; Hasan Seçen; Orhan Büyükgüngör","(1α,2β,3α,6β)-3,6-Dichlorocyclohex-4-ene-1,2-diyl diacetate","Acta Crystallographica Section E","2004","60","9","o1453","o1455","10.1107/S1600536804018525","","","0.71073","MoKα","","0.0551","0.0486","","","0.1385","0.1447","","","","","","1.046","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204127","11.384","0.0012","21.504","0.002","10.1728","0.0011","90","","103.437","0.003","90","","2422.1","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]phenylmethyl}-6,6- pentamethylene-2-phenyl-1,3-dioxa-4-aza-2-boracyclohexane","","- C27 H31 B N2 O4 -","- C27 H31 B N2 O4 -","- C108 H124 B4 N8 O16 -","4","1","BT6498","Kliegel, Wolfgang; Barakat, Mohamed; Jones, Peter G.","Phenylboronate of an <i>N</i>-hydroxy-<i>N</i>-(2-hydroxyalkyl)pyridoxamine","Acta Crystallographica Section E","2004","60","9","o1589","o1592","10.1107/S1600536804020434","","","0.71073","MoKα","","0.0582","0.0415","","","0.1136","0.1218","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204128","10.6757","0.001","7.7798","0.0009","21.919","0.002","90","","99.14","0.01","90","","1797.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Amino-3-anilino-N-(chlorophenyl)-1H-pyrazole-4-carboxamide ethanol solvate","","- C18 H20 Cl N5 O2 -","- C18 H20 Cl N5 O2 -","- C72 H80 Cl4 N20 O8 -","4","1","BT6501","Elgemeie, Galal H.; Jones, Peter G.","5-Amino-3-anilino-<i>N</i>-(chlorophenyl)-1<i>H</i>-pyrazole-4-carboxamide ethanol solvate","Acta Crystallographica Section E","2004","60","9","o1616","o1618","10.1107/S1600536804020689","","","0.71073","MoKα","","0.0521","0.0346","","","0.0778","0.0829","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204129","6.7439","0.0001","8.2016","0.0001","8.2846","0.0002","114.052","0.001","95.798","0.001","107.406","0.001","385.992","0.013","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-N,N-dimethylhydrazido-κ^2^N':N')bis[dimethylgallium(III)]","","- C8 H26 Ga2 N4 -","- C8 H26 Ga2 N4 -","- C8 H26 Ga2 N4 -","1","0.5","BT6502","Hecht, Elmar","Bis(μ-<i>N,N</i>-dimethylhydrazido-κ^2^<i>N</i>':<i>N</i>')bis[dimethylgallium(III)]","Acta Crystallographica Section E","2004","60","9","m1327","m1328","10.1107/S160053680402080X","","","0.71073","MoKα","","0.0373","0.032","","","0.0772","0.0795","","","","","","1.072","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204130","3.8501","0.0001","11.4482","0.0003","13.0504","0.0003","109.841","0.001","92.9891","0.0009","99.2004","0.001","530.59","0.02","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","2,4,5-Trichlorobiphenyl","","- C12 H7 Cl3 -","- C12 H7 Cl3 -","- C24 H14 Cl6 -","2","1","BT6503","Kania-Korwel, Izabela; Parkin, Sean; Robertson, Larry W.; Lehmler, Hans-Joachim","2,4,5-Trichlorobiphenyl","Acta Crystallographica Section E","2004","60","9","o1652","o1653","10.1107/S1600536804020975","","","0.71073","MoKα","","0.0322","0.0256","","","0.0598","0.0629","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204131","13.53","0.004","10.987","0.004","11.916","0.003","90","","90","","90","","1771.4","0.9","174.2","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H24 Br2 -","- C20 H24 Br2 -","- C80 H96 Br8 -","4","0.5","CF6350","Hemamala Karunadasa; Christina Leggett; Shaun Wong","2,2'-Dibromo-3,3',4,4',5,5',6,6'-octamethyl-1,1'-biphenyl","Acta Crystallographica Section E","2004","60","9","o1499","o1500","10.1107/S160053680401709X","","","0.7107","MoKα","","","0.0377","","","","0.0499","","","","","","1.85","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204132","7.623","0.0002","7.623","0.0002","33.8174","0.001","90","","90","","90","","1965.13","0.09","150","","150","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(1R,2R,3S,6S,7S,7aR)-3-Hydroxymethyl-1,2,6,7- tetrahydroxypyrrolizidine monohydrate or (2S,3R,4R,5R,6S,7S)-2-Hydroxymethyl- 1-azabicyclo[3.3.0]-octan-3,4,6,7-tetraol monohydrate","","- C8 H17 N O6 -","- C8 H17 N O6 -","- C64 H136 N8 O48 -","8","1","CF6365","Christopher Newton; Jeroen van Ameijde; George W. J. Fleet; Robert J. Nash; Watkin, David J.","3-<i>epi</i>-Casuarine monohydrate","Acta Crystallographica Section E","2004","60","9","o1463","o1464","10.1107/S1600536804018665","","","0.71073","MoKα","","0.0469","0.0469","","0.0723","0.0723","0.0723","","","","","","1.0139","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204133","13.756","0.004","15.667","0.004","17.934","0.004","90","","90","","90","","3865.1","1.7","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","octa-O-acetyl-α,α-trehalose","octa O-acetyl α-D-glucopyranosyl α-D-glycopyranoside","","- C32 H50 O21 -","- C32 H50 O21 -","- C128 H200 O84 -","4","1","CF6368","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Octa-<i>O</i>-acetyl-α,α-trehalose ethanol disolvate","Acta Crystallographica Section E","2004","60","9","o1483","o1485","10.1107/S1600536804018707","","","0.891","synchrotron","","0.0624","0.0435","","","0.1104","0.1123","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204134","17.848","0.004","16.863","0.003","9.485","0.003","90","","108.79","0.01","90","","2702.6","1.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[silver(I)-μ-4,4'-bipyridine-μ-formato] monohydrate formic acid solvate]","","- C12 H13 Ag N2 O5 -","- C12 H12 Ag N2 O5 -","- C96 H96 Ag8 N16 O40 -","8","1","CI6401","Zhang, Deng-Qing; Zhang, Wen-Hua; Xu, Qing-Feng; Lang, Jian-Ping; Ng, Seik Weng","Poly[[silver(I)-μ-4,4'-bipyridine-μ-formato] monohydrate formic acid solvate]","Acta Crystallographica Section E","2004","60","9","m1256","m1258","10.1107/S1600536804019221","","","0.71073","MoKα","","0.0815","0.0704","","","0.1321","0.1358","","","","","","1.374","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204135","9.935","0.001","10.072","0.001","34.987","0.007","90","","90","","90","","3501","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo- 3a,9-propano-3aH-cyclopentacycloocten-8-yl [2-(diethylammonio)ethylsulfanyl]acetate (E)-3-carboxyprop-2-enoate methanol solvate","","- C33 H55 N O9 S -","- C33 H55 N O9 S -","- C132 H220 N4 O36 S4 -","4","1","CI6411","Xiao-Ji Cao; Cui-Rong Sun; Yuan-Jiang Pan","Tiamulin‒hydrogen fumarate‒methanol (1/1/1)","Acta Crystallographica Section E","2004","60","9","o1546","o1548","10.1107/S1600536804019713","","","0.71073","MoKα","","0.0672","0.0381","","","0.0792","0.0849","","","","","","0.837","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204136","5.0372","0.0002","17.1314","0.0007","9.2598","0.0004","90","","99.476","0.002","90","","788.16","0.06","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Carboxymethylthymine","5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-3-acetic acid","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","CI6412","Liu, Miao-Chang; Wen Feng; Ding, Jin-Chang","1-(Carboxymethyl)thymine","Acta Crystallographica Section E","2004","60","9","o1611","o1612","10.1107/S1600536804019580","","","0.71073","MoKα","","0.0462","0.0425","","","0.1036","0.1066","","","","","","1.111","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204137","4.9515","0.0004","11.725","0.002","14.931","0.002","78","0.01","83.75","0.01","82.45","0.01","837.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Bis(β-alanine) hydrogen picrate","hydrogen picrate bis(β-alanine)","","- C12 H17 N5 O11 -","- C12 H17 N5 O11 -","- C24 H34 N10 O22 -","2","1","CI6413","K. Anitha; B. Sridhar; R. K. Rajaram","β-Alanine β-alaninium picrate","Acta Crystallographica Section E","2004","60","9","o1630","o1632","10.1107/S1600536804019853","","","0.71073","MoKα","","0.0937","0.0601","","","0.1689","0.1926","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204138","9.9714","0.0013","6.293","0.0005","12.648","0.0009","90","","110.5","0.01","90","","743.4","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-valinium picrate","L-valinium picrate","","- C11 H14 N4 O9 -","- C11 H14 N4 O9 -","- C22 H28 N8 O18 -","2","1","CI6414","K. Anitha; B. Sridhar; R. K. Rajaram","<small>L</small>-Valinium picrate","Acta Crystallographica Section E","2004","60","9","o1530","o1532","10.1107/S160053680401949X","","","0.71073","MoKα","","0.048","0.0398","","","0.1117","0.1168","","","","","","1.157","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204139","6.2362","0.0013","12.521","0.003","9.2553","0.0019","90","","107.038","0.004","90","","691","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diammonium hexaaquacobalt(II) bis(sulfate)","","- Co H20 N2 O14 S2 -","- Co H20 N2 O14 S2 -","- Co2 H40 N4 O28 S4 -","2","0.5","CI6415","Li, Xin-Hua; Li, Zu-Guang","Diammonium hexaaquacobalt(II) bis(sulfate)","Acta Crystallographica Section E","2004","60","9","i114","i115","10.1107/S1600536804018872","","","0.71073","MoKα","","0.0344","0.0308","","","0.0716","0.0731","","","","","","1.048","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204140","9.126","0.002","11.102","0.002","23.411","0.002","90","","93.707","0.003","90","","2367","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2-aminopyridine-κN^1^)bis(2-fluorobenzoato-κO)zinc(II)","","- C24 H20 F2 N4 O4 Zn -","- C24 H20 F2 N4 O4 Zn -","- C96 H80 F8 N16 O16 Zn4 -","4","1","CI6416","Yang, Hai-Lang; You, Zhong-Lu; Zhu, Hai-Liang","Bis(2-aminopyridine-κ<i>N</i>^1^)bis(2-fluorobenzoato-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2004","60","9","m1213","m1214","10.1107/S1600536804018884","","","0.71073","MoKα","","0.0511","0.0416","","","0.1175","0.1258","","","","","","1.02","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204141","11.379","0.002","12.971","0.003","10.158","0.002","90","","103.9","0.03","90","","1455.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2-aminopyridine-κ^1^)silver(I) hexafluoroarsenate","","- C10 H12 Ag As F6 N4 -","- C10 H12 Ag As F6 N4 -","- C40 H48 Ag4 As4 F24 N16 -","4","0.5","CI6417","Yang, Hai-Lang; You, Zhong-Lu; Zhu, Hai-Liang","Bis(2-aminopyridine-κ<i>N</i>^1^)silver(I) hexafluoroarsenate","Acta Crystallographica Section E","2004","60","9","m1215","m1217","10.1107/S1600536804018896","","","0.71073","MoKα","","0.0442","0.0369","","","0.0955","0.0985","","","","","","1.082","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204142","9.9542","0.0006","8.8479","0.0006","21.223","0.001","90","","102.263","0.001","90","","1826.54","0.19","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[5-Bromo-N-(2-pyridylethylsulfanylethyl)salicylideneiminato- κ^4^N,N',O,S]copper(II) perchlorate","","- C16 H16 Br Cl Cu N2 O5 S -","- C16 H16 Br Cl Cu N2 O5 S -","- C64 H64 Br4 Cl4 Cu4 N8 O20 S4 -","4","1","CI6418","Saghatforoush, Lotf A.; Hossaini Sadr, Moayad; Lewis, William; Wikaira, Jan; Robinson, Ward T.; Ng, Seik Weng","[5-Bromo-<i>N</i>-(2-pyridylethylsulfanylethyl)salicylideneiminato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>S</i>]copper(II) perchlorate","Acta Crystallographica Section E","2004","60","9","m1259","m1260","10.1107/S1600536804019403","","","0.71073","MoKα","","0.078","0.039","","","0.092","0.107","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204143","8.9625","0.0003","13.214","0.0005","13.9889","0.0005","90","","90.052","0.001","90","","1656.71","0.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromotetrakis(1H-imidazole-κN^3^)copper(II) bromide","","- C12 H16 Br2 Cu N8 -","- C12 H16 Br2 Cu N8 -","- C48 H64 Br8 Cu4 N32 -","4","1","CI6419","Hossaini Sadr, Moayad; Zare, Davood; Lewis, William; Wikaira, Jan; Robinson, Ward T.; Ng, Seik Weng","Bromotetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) bromide","Acta Crystallographica Section E","2004","60","9","m1324","m1326","10.1107/S1600536804019609","","","0.71073","MoKα","","0.0577","0.0534","","","0.1618","0.1677","","","","","","1.065","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204144","13.298","0.001","19.333","0.003","5.359","0.0005","90","","90","","90","","1377.7","0.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Diaqua(napthalene-2,7-disulfonato)barium(II)","","- C10 H10 Ba O8 S2 -","- C10 H10 Ba O8 S2 -","- C40 H40 Ba4 O32 S8 -","4","1","CI6420","Huo, Li-Hua; Gao, Shan; Xu, Shi-Xiao; Zhao, Hui; Ng, Seik Weng","Polymeric diaqua(naphthalene-2,7-disulfonato)barium(II)","Acta Crystallographica Section E","2004","60","9","m1240","m1241","10.1107/S1600536804019348","","","0.71073","MoKα","","0.035","0.028","","","0.06","0.063","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204145","30.983","0.006","4.92","0.001","9.981","0.002","90","","90","","90","","1521.5","0.5","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Carboxymethyl-3-hydroxypyridinium chloride‒3-hydroxypyridinium-1-acetate (1/1)","","- C14 H15 Cl N2 O6 -","- C14 H15 Cl N2 O6 -","- C56 H60 Cl4 N8 O24 -","4","1","CI6421","Zhao, Hui; Huo, Li-Hua; Gao, Shan; Zhang, Zhu-Yan; Zhao, Jing-Gui; Ng, Seik Weng","1-Carboxymethyl-3-hydroxypyridinium chloride‒3-hydroxypyridinium-1-acetate (1/1)","Acta Crystallographica Section E","2004","60","9","o1501","o1503","10.1107/S1600536804018938","","","0.71073","MoKα","","0.035","0.033","","","0.087","0.09","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204146","11.323","0.001","18.517","0.002","41.438","0.004","90","","90","","90","","8688.2","1.5","295","2","295","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","catena-Poly[[[bis(1H-imidazole-κN^3^)zinc(II)]-μ-1,4- phenylenedioxydiacetatoκ^2^O:O'] tetrahydrate]","","- C16 H24 N4 O10 Zn -","- C16 H24 N4 O10 Zn -","- C256 H384 N64 O160 Zn16 -","16","0.5","CI6422","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","<i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ-1,4-phenylenedioxydiacetato-κ^2^<i>O</i>:<i>O</i>'] tetrahydrate]","Acta Crystallographica Section E","2004","60","9","m1329","m1330","10.1107/S1600536804020744","","","0.71073","MoKα","","0.075","0.0634","","","0.1931","0.2031","","","","","","1.093","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204147","10.679","0.004","10.913","0.004","12.14","0.004","112.43","0.03","104.07","0.03","100.1","0.03","1210.5","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","polymeric tris(μ~3~-4-carboxyphenoxyacetato)di-μ~3~-hydroxo-bis(μ~2~-4,4'- pyridine)tetrazinc(IV) dihydrate","","- C47 H40 N4 O19 Zn4 -","- C47 H40 N4 O19 Zn4 -","- C47 H40 N4 O19 Zn4 -","1","0.5","CI6423","Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Jing-Gui; Ng, Seik Weng","Tetrahedral and octahedral coordination for zinc in polymeric tris(μ~3~-4-carboxyphenoxyacetato)di-μ~3~-hydroxo-bis(μ~2~-4,4'-bipyridine)tetrazinc(IV) dihydrate","Acta Crystallographica Section E","2004","60","9","m1331","m1333","10.1107/S1600536804020859","","","0.71073","MoKα","","0.061","0.051","","","0.124","0.128","","","","","","1.121","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204148","8.59","0.003","11.631","0.003","24.709","0.005","97.79","0.009","93.76","0.01","103.828","0.009","2362.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κO)[benzoylacetone (4-methoxybenzoyl)hydrazonato-κ^3^O,N,O'](pyridine-κN)zinc(II)","","- C25 H25 N3 O5 Zn -","- C25 H25 N3 O5 Zn -","- C100 H100 N12 O20 Zn4 -","4","2","CI6425","Huo, Li-Hua; Gao, Shan; Liu, Ji-Wei; Zhao, Hui","(Acetato-κ<i>O</i>)[benzoylacetone (4-methoxybenzoyl)hydrazonato-κ^3^<i>O,N,O</i>'](pyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2004","60","9","m1281","m1283","10.1107/S1600536804019725","","","0.71073","MoKα","","0.108","0.053","","","0.096","0.109","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204149","5.7333","0.0004","19.1695","0.0016","11.6547","0.0008","90","","103.441","0.006","90","","1245.82","0.16","293","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C56 H44 N12 O4 S4 -","4","1","CI6428","Genç, Sadık; Dege, Necmi; Çetin, Ahmet; Cansız, Ahmet; Şekerci, Memet; Dinçer, Muharrem","3-(2-Hydroxyphenyl)-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","9","o1580","o1582","10.1107/S1600536804020367","","","0.71073","MoKα","","0.0534","0.0384","","","0.0894","0.0942","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204150","11.1091","0.0004","11.78","0.0003","15.9282","0.0005","90","","109.563","0.001","90","","1964.12","0.11","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicyclohexylaminium 4-hydroxysulfonate monohydrate","","- C18 H31 N O5 S -","- C18 H31 N O5 S -","- C72 H124 N4 O20 S4 -","4","1","CI6429","Zhi-Min Jin; Mei-Chao Li; Ping Wang; Li Li; Mao-Lin Hu","Dicyclohexylaminium 4-hydroxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2004","60","9","o1633","o1635","10.1107/S1600536804020768","","","0.71073","MoKα","","0.0602","0.0539","","","0.1292","0.1335","","","","","","1.119","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204151","7.7432","0.0004","8.8457","0.0004","19.2021","0.0009","90","","91.69","0.001","90","","1314.66","0.11","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,4,5,6-tetrahydro-5-methyl-6-phenyl-4-propyl-2H-1,3,4-oxadiazin-2-one","","- C13 H18 N2 O2 -","- C13 H18 N2 O2 -","- C52 H72 N8 O8 -","4","2","CV6344","Lisa F. Szczepura; Shawn R. Hitchcock; George P. Nora","(5<i>S</i>,6<i>R</i>)-3,4,5,6-Tetrahydro-5-methyl-6-phenyl-4-propyl-2<i>H</i>-1,3,4-oxadiazin-2-one","Acta Crystallographica Section E","2004","60","9","o1467","o1469","10.1107/S160053680401829X","","","0.71073","MoKα","","0.0319","0.031","","","0.087","0.088","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204152","8.033","0.001","17.034","0.002","8.531","0.001","90","","96.09","0.01","90","","1160.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorobispyridazinezinc(II)","","- C8 H8 Cl2 N4 Zn -","- C8 H8 Cl2 N4 Zn -","- C32 H32 Cl8 N16 Zn4 -","4","1","CV6346","Leszek Pazderski; Edward Szłyk; Andrzej Wojtczak; Lech Kozerski; Jerzy Sitkowski","Dichlorodipyridazinezinc(II)","Acta Crystallographica Section E","2004","60","9","m1270","m1272","10.1107/S1600536804019671","","","0.71073","MoKα","","0.0438","0.0337","","","0.0819","0.087","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204153","16.9231","0.0017","5.8166","0.0006","8.058","0.0008","90","","92.687","0.002","90","","792.32","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(4-methoxyphenyl)piperazine-2,5-dione","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","0.5","CV6347","Yong-Hong Wen; Shu-Sheng Zhang; Bao-Hui Yu; Xue-Mei Li","1,4-Bis(4-methoxyphenyl)piperazine-2,5-dione","Acta Crystallographica Section E","2004","60","9","o1494","o1496","10.1107/S1600536804018914","","","0.71073","MoKα","","0.0493","0.0423","","","0.1129","0.1194","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204154","5.3712","0.0018","7.637","0.003","8.46","0.003","72.025","0.005","73.872","0.005","81.144","0.005","316.2","0.2","291","2","291","2","","","","","","","","4","P 1","P 1","1","(R)-histidinium (2R, 3R)-tartrate","","","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","1","1","CV6349","Johnson, M. N.; Feeder, N.","(<i>R</i>)-Histidinium (2<i>R</i>,3<i>R</i>)-tartrate","Acta Crystallographica Section E","2004","60","9","o1476","o1477","10.1107/S160053680401863X","","","0.71073","MoKα","","0.0303","0.0299","","","0.0757","0.0762","","","","","","1.074","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204155","15.524","0.012","12.802","0.01","6.601","0.005","90","","102.56","0.03","90","","1280.5","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaqua(2,2'-bipyridine-κ^2^N,N')cobalt(II)]-μ-sulfato]","","- C10 H12 Co N2 O6 S -","- C10 H12 Co N2 O6 S -","- C40 H48 Co4 N8 O24 S4 -","4","0.5","CV6350","Li, Xin-Hua; Chi, Xian-Xing","<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-sulfato]","Acta Crystallographica Section E","2004","60","9","m1301","m1302","10.1107/S1600536804019038","","","0.71073","MoKα","","0.028","0.0272","","","0.07","0.0705","","","","","","1.134","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204156","10.0406","0.0015","13.42","0.002","15.04","0.002","90","","90","","90","","2026.6","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","6-Styryl-pyran-2-one","Dehydrogoniothalamin","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","CV6351","Din, Laily B.; Abdullah, Aryanti; Tan, S. L.; Said, Ikram M.; Yamin, Bohari M.","Dehydrogoniothalamin","Acta Crystallographica Section E","2004","60","9","o1515","o1517","10.1107/S1600536804019087","","","0.71073","MoKα","","0.057","0.044","","","0.113","0.126","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204157","6.0473","0.0006","7.4417","0.0007","22.376","0.003","90","","90","","90","","1006.97","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-N'-(thiophen-2-ylmethylene)hydrazine","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C44 H40 N8 S4 -","4","1","CV6354","Özçelik, Suzan; Dinçer, Muharrem; Şekerci, Memet; Balaban Ayla; Özdemir Ümmühan","<i>N</i>-Phenyl-<i>N</i>'-(2-thienylmethylene)hydrazine","Acta Crystallographica Section E","2004","60","9","o1552","o1553","10.1107/S1600536804019932","","","0.71073","MoKα","","0.0517","0.0383","","","0.0835","0.0877","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204158","4.9218","0.001","5.7966","0.0012","11.804","0.002","92.41","0.03","94.98","0.03","96.91","0.03","332.59","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[tetraaquacobalt(II)]-μ-benzene-1,4-dioxyacetato-κ^2^O:O']","","- C10 H16 Co O10 -","- C10 H16 Co O10 -","- C10 H16 Co O10 -","1","0.5","CV6355","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","<i>catena</i>-Poly[[tetraaquacobalt(II)]-μ-benzene-1,4-dioxyacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","9","m1242","m1244","10.1107/S1600536804019373","","","0.71073","MoKα","","0.04","0.032","","","0.069","0.072","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204159","15.6359","0.0017","12.1299","0.0017","11.5236","0.0014","90","","104.111","0.003","90","","2119.6","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(1R*,4R*,5S*,12S*,13R*)-9-Acetoxycembra-8(E),15(17)-dien-16,4-olide monohydrate","","- C20 H34 O6 -","- C20 H34 O6 -","- C80 H136 O24 -","4","1","CV6356","Cui-Xian Zhang; Cheng-Zhu Liao; Wei-Gang Lu; Long-Mei Zeng","(1<i>R</i>*,4<i>R</i>*,5<i>S</i>*,12<i>S</i>*,13<i>R</i>*)-9-Acetoxycembra-8(<i>E</i>),15(17)-dien-16,4-olide monohydrate","Acta Crystallographica Section E","2004","60","9","o1598","o1600","10.1107/S1600536804020392","","","0.71073","MoKα","","0.0483","0.0393","","","0.1014","0.1109","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204160","8.459","0.002","16.942","0.005","6.6832","0.0018","90","","96.929","0.004","90","","950.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3,5-dinitrosalicylate","","- C8 H6 N2 O7 -","- C8 H6 N2 O7 -","- C32 H24 N8 O28 -","4","1","CV6358","Jin Long-Fei; Xiao Feng-Ping; Wang Cheng-Gang","Methyl 3,5-dinitrosalicylate","Acta Crystallographica Section E","2004","60","9","o1593","o1594","10.1107/S1600536804020331","","","0.71073","MoKα","","0.0643","0.0514","","","0.1256","0.1329","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204161","10.454","0.006","16.192","0.006","7.0777","0.0014","90","","94.47","0.05","90","","1194.4","0.9","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[[tetraaquazinc(II)]-μ-5-sulfosalicylato-κ^2^O:O']","","- C7 H12 O10 S Zn -","- C7 H12 O10 S Zn -","- C28 H48 O40 S4 Zn4 -","4","1","CV6359","Hecht, Elmar","<i>catena</i>-Poly[[tetraaquazinc(II)]-μ-5-sulfosalicylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","9","m1286","m1288","10.1107/S1600536804020070","","","0.71073","MoKα","","0.0301","0.03","","","0.0857","0.0858","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204162","11.025","0.007","11.238","0.007","11.666","0.007","90","","105.484","0.01","90","","1392.9","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5a,6,11a,12-Tetrahydro-5a,11a-dimethyl-1,4-benzoxazino[3,2-b][1,4]benzoxazine","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","CV6360","Hai-Yan, Zhao; Xiao-Hang, Qiu; Pan-Wen, Shen","5a,6,11<i>a</i>,12-Tetrahydro-5a,11<i>a</i>-dimethyl-1,4-benzoxazino[3,2-<i>b</i>][1,4]benzoxazine","Acta Crystallographica Section E","2004","60","9","o1619","o1621","10.1107/S1600536804020665","","","0.71073","MoKα","","0.105","0.077","","","0.191","0.22","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204163","11.215","0.0006","12.2282","0.0003","11.5439","0.0005","90","","115.753","0.0019","90","","1425.88","0.11","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3a,4,8,8a-tetrahydro-6α-methylcarbonylmethyl-6β-ethoxycarbornyl-5,7- cyclopropyl-4,8-epoxyisobenzofuran-1,3-dione","5,6-[2α-Acetyl-1β-(ethoxycarbonyl)ethylidene]-1,3,3a,4,5,6,7,7a- octahydro-4,7-epoxyisobenzofuran-1,3-dione","","- C15 H16 O7 -","- C15 H16 O7 -","- C60 H64 O28 -","4","1","CV6362","Lough, Alan J.; Villeneuve, Karine; Tam, William","5,6-[2α-Acetyl-1β-(ethoxycarbonyl)ethylidene]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisobenzofuran-1,3-dione","Acta Crystallographica Section E","2004","60","9","o1659","o1660","10.1107/S160053680402046X","","","0.71073","MoKα","","0.0683","0.0431","","","0.104","0.1192","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204164","7.8086","0.0012","10.3018","0.0018","10.8659","0.0012","90","","92.528","0.01","90","","873.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-(1RS,3RS)-2-Methoxymethyl-1,3-dithiane 1,3-dioxide","","- C6 H12 O3 S2 -","- C6 H12 O3 S2 -","- C24 H48 O12 S8 -","4","1","CV6364","Gültekin, Zeynep; Bayrak, Hacer; Frey, Wolfgang; Hökelek, Tuncer","<i>cis</i>-(1<i>RS</i>,3<i>RS</i>)-2-Methoxymethyl-1,3-dithiane 1,3-dioxide","Acta Crystallographica Section E","2004","60","9","o1624","o1626","10.1107/S1600536804020811","","","0.71073","MoKα","","0.0606","0.0444","","","0.0975","0.1067","","","","","","1.118","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204165","12.123","0.005","48.809","0.017","6.262","0.002","90","","90","","90","","3705","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[3-AH-2,6-DBP]2Br2.H2O","3-ammonium-2,6-dibromopyridine bromide hemihydrate","","- C5 H6 Br3 N2 O0.5 -","- C5 H6 Br3 N2 O0.5 -","- C80 H96 Br48 N32 O8 -","16","1","DN6151","Haddad, Salim F.; AlDamen, Murad A.; Al-Far, Rawhi H.","3-Ammonio-2,6-dibromopyridine bromide hemihydrate","Acta Crystallographica Section E","2004","60","9","o1491","o1493","10.1107/S1600536804018793","","","0.7107","MoKα","","0.0483","0.0321","","","0.0746","0.0789","","","","","","0.84","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204166","5.917","0.0002","16.5865","0.0006","9.9576","0.0004","90","","104.128","0.002","90","","947.7","0.06","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C42 H60 N4 O2 -","2","1","DN6152","Parrish, Damon A.; Deschamps, Jeffrey R.; Jiang, Faming; Zaveri, Nurulain T.","A novel receptor ligand: 1-(1-cyclooctylpiperidin-4-yl)indolin-2-one","Acta Crystallographica Section E","2004","60","9","o1571","o1572","10.1107/S1600536804016903","","","1.54178","CuKα","","0.0574","0.0479","","","0.1245","0.1347","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204167","22.167","0.002","5.8534","0.0004","14.26","0.0012","90","","105.629","0.003","90","","1781.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[dichlorozinc(II)]-μ-N,N'-bis(4-pyridylmethyl)piperazine]","","- C16 H20 Cl2 N4 Zn -","- C16 H20 Cl2 N4 Zn -","- C64 H80 Cl8 N16 Zn4 -","4","0.5","FL6112","Li, Xiao-Ju; Cao, Rong; Li, Xing; Bi, Wen-Hua; Wang, Yan-Qin","<i>catena</i>-Poly[[dichlorozinc(II)]-μ-<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)piperazine]","Acta Crystallographica Section E","2004","60","9","m1273","m1275","10.1107/S160053680401952X","","","0.71073","MoKα","","","0.0431","","","0.1047","0.1157","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204168","11.3962","0.0012","6.4089","0.0007","12.3267","0.0013","90","","97.786","0.002","90","","892.01","0.16","94","2","94","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,8-trinitro-2,4,6,8-tetraazabicyclo[3.3.0]octan-7-one","","- C4 H5 N7 O7 -","- C4 H5 N7 O7 -","- C16 H20 N28 O28 -","4","1","FL6113","Butcher, Ray J.; Evans, Robin; Gilardi, R.","2,4,6-Trinitro-2,4,6,8-tetraazabicyclo[3.3.0]octan-7-one","Acta Crystallographica Section E","2004","60","9","o1543","o1545","10.1107/S160053680401880X","","","0.71073","MoKα","","0.0387","0.0348","","","0.0848","0.0867","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204169","7.2287","0.0014","8.6286","0.0015","9.037","0.0016","97.896","0.005","105.962","0.006","97.698","0.005","528","0.17","120","","120","","","","","","","","","3","P -1","-P 1","2","","1,3-dihydroxy-7-methoxyxanthone","","- C14 H10 O5 -","- C14 H10 O5 -","- C28 H20 O10 -","2","1","FL6116","Radosavljević Evans, Ivana; Howard, Judith A. K.; Šavikin-Fodulović, Katarina; Menković, Nebojša","Isogentisin (1,3-dihydroxy-7-methoxyxanthone)","Acta Crystallographica Section E","2004","60","9","o1557","o1559","10.1107/S1600536804019890","","","0.71073","MoKα","","0.1021","0.0338","","0.1166","0.0764","0.1166","","","","","","0.9605","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204170","9.186","0.006","18.238","0.008","9.614","0.006","90","","100.81","0.08","90","","1582.1","1.6","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-ammonio-5-chloropyridine) tetradecachlorohexamolybdate","","- C10 H12 Cl16 Mo6 N4 -","- C10 H12 Cl16 Mo6 N4 -","- C20 H24 Cl32 Mo12 N8 -","2","0.5","HB6059","Flemström, Andreas","Bis(2-ammonio-5-chloropyridine) tetradecachlorohexamolybdate","Acta Crystallographica Section E","2004","60","9","m1303","m1305","10.1107/S160053680401935X","","","0.71073","MoKα","","0.0335","0.0245","","","0.0748","0.0871","","","","","","1.178","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204171","15.1912","0.0013","8.2285","0.001","16.7012","0.0012","90","","104.058","0.012","90","","2025.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexakis(1H-imidazole-κN^3^)cobalt(II) bis(dinitrobenzoate) dihydrate","","- C32 H34 Co N16 O14 -","- C32 H34 Co N16 O14 -","- C64 H68 Co2 N32 O28 -","2","0.5","HB6070","Tu-Gen Xu; Duan-Jun Xu","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) bis(3,5-dinitrobenzoate) dihydrate","Acta Crystallographica Section E","2004","60","9","m1218","m1219","10.1107/S1600536804018653","","","0.71073","MoKα","","0.046","0.034","","","0.079","0.084","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204172","10.806","0.004","11.777","0.004","19.944","0.007","90","","97.66","0.005","90","","2515.5","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[trans-2-(2-phenylethenyl)pyrazin-4-ium)] tetrachlorozincate","","- C24 H22 Cl4 N4 Zn -","- C24 H22 Cl4 N4 Zn -","- C96 H88 Cl16 N16 Zn4 -","4","0.5","HB6071","Shi, Xue-Fang; Liu, Hui-Min; Zhang, Wen-Qin","Bis[<i>trans</i>-2-(2-phenylethenyl)pyrazin-4-ium] tetrachlorozincate","Acta Crystallographica Section E","2004","60","9","m1208","m1209","10.1107/S1600536804018628","","","0.71073","MoKα","","0.0653","0.0366","","","0.067","0.0736","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204173","14.054","0.004","12.597","0.004","16.424","0.005","90","","92.008","0.006","90","","2905.9","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[tetrakis(N,N'dimethylformamide)pentacopper(I,II)]-tetra-μ~2~-cyano- di-μ~3~-cyano]","","- C18 H28 Cu5 N10 O4 -","- C18 H28 Cu5 N10 O4 -","- C72 H112 Cu20 N40 O16 -","4","0.5","HB6074","Xiao-Jun Zhao; Stuart R Batten; Miao Du","[Cu~4~^I^Cu^II^(CN)~6~(DMF)~4~]~<i>n~</i> (DMF is <i>N</i>,<i>N</i>'-dimethylformamide): redetermination and topological analysis of a mixed-valence copper‒cyanide coordination polymer with a unique six-connected self-penetrating network","Acta Crystallographica Section E","2004","60","9","m1237","m1239","10.1107/S160053680401921X","","","0.71073","MoKα","","0.1028","0.0482","","","0.0789","0.0918","","","","","","0.974","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204174","10.429","0.003","22.125","0.006","19.435","0.006","90","","121.922","0.005","90","","3806.3","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,10-phenanthrolinium aquabis(1,10-phenanthroline)sodium(I) pentacyanonitrosoiron(II) monohydrate","","- C41 H29 Fe N12 Na O3 -","- C41 H29 Fe N12 Na O3 -","- C164 H116 Fe4 N48 Na4 O12 -","4","1","HB6075","Zhang, Baofeng; Xie, Chengzhi; Wang, Xiaoqing; Shen, Guangqiu; Shen, Dezhong","A novel heterometallic Fe^II^‒Na^+^ phase: 1,10-phenanthrolinium aquabis(1,10-phenanthroline)sodium(I) pentacyanonitrosoiron(II) monohydrate","Acta Crystallographica Section E","2004","60","9","m1293","m1295","10.1107/S1600536804019944","","","0.71073","MoKα","","0.1888","0.0634","","","0.1129","0.1485","","","","","","0.934","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204175","25.049","0.006","7.0568","0.0018","21.42","0.005","90","","107.783","0.003","90","","3605.4","1.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1H-benzimidazole-κN^3^)(oxydiacetato-κ^3^O,O',O'')zinc(II)","","- C18 H16 N4 O5 Zn -","- C18 H16 N4 O5 Zn -","- C144 H128 N32 O40 Zn8 -","8","1","HB6076","Lei Cao; Ning Li; Duan-Jun Xu","Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')zinc(II)","Acta Crystallographica Section E","2004","60","9","m1248","m1250","10.1107/S1600536804019488","","","0.71073","MoKα","","0.032","0.027","","","0.068","0.07","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204176","4.6318","0.0002","9.8575","0.0005","10.631","0.0006","90","","92.084","0.002","90","","485.07","0.04","185","","185","","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 2,4-anhydro-5-azido-5,6-dideoxy-L-altronate","","- C7 H11 N3 O4 -","- C7 H11 N3 O4 -","- C14 H22 N6 O8 -","2","1","HB6077","Watkin, David J.; Johnson, Stephen W.; Jones, John H.; Fleet, George W. J.","Methyl 2,4-anhydro-5-azido-5,6-dideoxy-<small>L</small>-altronate","Acta Crystallographica Section E","2004","60","9","o1609","o1610","10.1107/S1600536804019968","","","0.71073","MoKα","","0.0506","0.0506","","0.0954","0.0954","0.0954","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204177","11.777","0.003","13.574","0.003","14.114","0.003","65.372","0.002","86.194","0.003","81.6","0.003","2029","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-N-acetyl-N-phenylglycinato)bis[(N-acetyl-N-phenylglycinato)(1,10- phenanthroline-κ^2^N,N')lanthanum(III)] dihydrate","","- C84 H80 La2 N10 O20 -","- C84 H80 La2 N10 O20 -","- C84 H80 La2 N10 O20 -","1","0.5","HB6078","Fu, Ai-Yun; Wang, Da-Qi; Shen, Qing-Jun","Tetrakis(μ-<i>N</i>-acetyl-<i>N</i>-phenylglycinato)bis[(<i>N</i>-acetyl-<i>N</i>-phenylglycinato)(1,10-phenanthroline-κ^2^<i>N,N</i>')lanthanum(III)] dihydrate","Acta Crystallographica Section E","2004","60","9","m1346","m1348","10.1107/S1600536804020793","","","0.71073","MoKα","","0.0325","0.0253","","","0.0632","0.0704","","","","","","1","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2204178","32.2977","0.0007","10.248","0.0003","22.6078","0.0007","90","","117.237","0.001","90","","6653.2","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Aqua-bis(μ-2'-carboxybiphenyl-2-carboxylato-κ^2^O:O')bis[bis(2'- carboxybiphenyl-2-carboxylato-κO)(1,10-phenanthroline-κ^2^N,N')cobalt(II)]","","- C80 H54 Co2 N4 O17 -","- C80 H54 Co2 N4 O17 -","- C320 H216 Co8 N16 O68 -","4","0.5","HB6079","Qian Miao; Mao-Lin Hu; Fan Chen","μ-Aqua-bis(μ-2'-carboxybiphenyl-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[bis(2'-carboxybiphenyl-2-carboxylato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')cobalt(II)]","Acta Crystallographica Section E","2004","60","9","m1314","m1316","10.1107/S1600536804020458","","","0.71073","MoKα","","0.1212","0.1169","","","0.2395","0.2468","","","","","","1.427","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204179","11.5641","0.0005","17.8801","0.0003","10.1058","0.0004","90","","90","","90","","2089.55","0.13","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[bis(1H-benzimidazole-κN^3^)cobalt(II)]-μ-isophthalate-κ^2^O:O']","","- C22 H16 Co N4 O4 -","- C22 H16 Co N4 O4 -","- C88 H64 Co4 N16 O16 -","4","1","HB6081","Jian-Rong Su; Yu Liu; Duan-Jun Xu","<i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-μ-isophthalato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","9","m1298","m1300","10.1107/S1600536804020446","","","0.71073","MoKα","","0.061","0.046","","","0.087","0.091","","","","","","1.112","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204180","11.4722","0.0019","14.271","0.002","14.986","0.002","66.966","0.002","86.448","0.002","79.303","0.002","2218.5","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-N-acetyl-N-phenylglycinato-κ^2^O:O')bis[triaqua(1,10-phenanthroline- κ^2^N,N')lanthanum(III)] bis(μ-N-acetyl-N-phenylglycinate) dinitrate dihydrate","","- C88 H88 La2 N14 O26 -","- C88 H88 La2 N14 O26 -","- C88 H88 La2 N14 O26 -","1","0.5","HB6082","Fu, Ai-Yun; Wang, Da-Qi; Shen, Qing-Jun; Zhang, Cui-Lan","Bis(μ-<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(1,10-phenanthroline-κ^2^<i>N,N</i>')lanthanum(III)] bis(<i>N</i>-acetyl-<i>N</i>-phenylglycinate) dinitrate dihydrate","Acta Crystallographica Section E","2004","60","9","m1337","m1339","10.1107/S1600536804021002","","","0.71073","MoKα","","0.0415","0.0317","","","0.0753","0.0833","","","","","","1.006","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2204181","8.0564","0.0003","20.5089","0.0009","7.8112","0.0003","90","","106.833","0.002","90","","1235.33","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydropurin-1-yl)acetate","","- C11 H14 N4 O4 -","- C11 H14 N4 O4 -","- C44 H56 N16 O16 -","4","1","HG6057","Jin-Chang Ding; Wen Feng; Hua-Yue Wu; Zi-Kai Pan","Ethyl (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydropurin-1-yl)acetate","Acta Crystallographica Section E","2004","60","9","o1518","o1519","10.1107/S1600536804017659","","","0.71073","MoKα","","0.0537","0.0436","","","0.1038","0.1093","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204182","29.03","0.006","7.055","0.0014","11.916","0.002","90","","112.85","0.03","90","","2249","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexaaquanickel(II) bis(p-nitrobenzoate) dihydrate","","- C14 H24 N2 Ni O16 -","- C14 H24 N2 Ni O16 -","- C56 H96 N8 Ni4 O64 -","4","0.5","HG6066","Qu, Yang; Liu, Zhao-Di; Zhu, Hai-Liang; Tan, Min-Yu","Hexaaquanickel(II) bis(<i>p</i>-nitrobenzoate) dihydrate","Acta Crystallographica Section E","2004","60","9","m1306","m1307","10.1107/S1600536804017519","","","0.71073","MoKα","","0.0558","0.0527","","","0.156","0.1598","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204183","6.7094","0.0004","8.8147","0.0006","12.2004","0.0009","72.908","0.006","87.72","0.006","88.718","0.006","689.09","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","9-Ethyl-3-methyl-1,6-dinitrocarbazole","9-Ethyl-3-methyl-1,6-dinitro-9H-carbazole","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","HG6074","Asker, Erol; Masnovi, John","9-Ethyl-3-methyl-1,6-dinitrocarbazole","Acta Crystallographica Section E","2004","60","9","o1613","o1615","10.1107/S1600536804020574","","","0.7093","MoKα","","0.0786","0.0422","","","0.1012","0.116","","","","","","1.018","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204184","9.3305","0.0008","12.407","0.001","12.7422","0.001","90","","90","","90","","1475.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2-Ethoxyphenyl)-1-ethyl-1H-benzimidazole","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","HG6076","Tong, Yi-Ping; Li, Wei","2-(2-Ethoxyphenyl)-1-ethyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2004","60","9","o1563","o1565","10.1107/S1600536804019622","","","0.71073","MoKα","","0.0653","0.0499","","","0.1031","0.1097","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204185","6.2342","0.0006","9.4516","0.0008","9.8012","0.0009","104.207","0.007","91.138","0.008","101.849","0.007","546.42","0.09","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","5,6-Dichloro-1-propyl-1H-benzimidazole","","- C10 H10 Cl2 N2 -","- C10 H10 Cl2 N2 -","- C20 H20 Cl4 N4 -","2","1","HG6077","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","5,6-Dichloro-1-propylbenzimidazole","Acta Crystallographica Section E","2004","60","9","o1603","o1605","10.1107/S1600536804018252","","","0.71073","MoKα","","0.0713","0.064","","","0.1847","0.1947","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204186","7.832","0.001","9.151","0.002","12.201","0.003","92.68","0.04","104.56","0.04","113.45","0.03","765.8","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","N-(p-Methoxybenzoyl)-N'-(o-methoxyphenyl)thiourea","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C32 H32 N4 O6 S2 -","2","1","HG6078","Ali, Hapipah; Halim, S. Nadiah A.; Khamis, Nur Ashikin; Yusof, M. Sukeri; Yamin, Bohari M.","<i>N</i>-(<i>p</i>-Methoxybenzoyl)-<i>N</i>'-(<i>o</i>-methoxyphenyl)thiourea","Acta Crystallographica Section E","2004","60","9","o1497","o1498","10.1107/S1600536804018823","","","0.71073","MoKα","","0.042","0.039","","","0.103","0.105","","","","","","1.06","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204187","17.5842","0.0017","7.6235","0.0008","17.8892","0.0013","90","","90","","90","","2398.1","0.4","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Dichlorobis[1-(2-ethoxyethyl)-1H-benzimidazole-κN^3^]cobalt(II)","","- C22 H28 Cl2 Co N4 O2 -","- C22 H28 Cl2 Co N4 O2 -","- C88 H112 Cl8 Co4 N16 O8 -","4","1","HG6082","Türktekin, Sevim; Akkurt, Mehmet; Orhan, Ersin; Küçükbay, F. Zehra; Küçükbay, Hasan; Büyükgüngör, Orhan","Dichlorobis[1-(2-ethoxyethyl)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]cobalt(II)","Acta Crystallographica Section E","2004","60","9","m1220","m1222","10.1107/S1600536804018835","","","0.71073","MoKα","","0.0351","0.0303","","","0.0714","0.0729","","","","","","0.98","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204188","7.2444","0.0014","16.089","0.003","18.276","0.004","90","","98.85","0.03","90","","2104.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-benzene- 1,4-dioxyacetato-κ^3^O,O':O''] monohydrate]","","- C22 H20 Cu N2 O8 -","- C22 H20 Cu N2 O8 -","- C88 H80 Cu4 N8 O32 -","4","1","HG6083","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-benzene-1,4-dioxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] monohydrate]","Acta Crystallographica Section E","2004","60","9","m1231","m1233","10.1107/S1600536804019014","","","0.71073","MoKα","","0.044","0.033","","","0.081","0.085","","","","","","1.04","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204189","5.013","0.001","12.733","0.003","24.096","0.005","90","","90","","90","","1538.1","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Methoxysalicylaldehyde 4-methoxybenzoylhydrazone monohydrate","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","1","HG6085","Huo, Li-Hua; Gao, Shan; Zhao, Hui; Zhao, Jing-Gui; Zain, Sharifuddin M.; Ng, Seik Weng","3-Methoxysalicylaldehyde 4-methoxybenzoylhydrazone monohydrate","Acta Crystallographica Section E","2004","60","9","o1538","o1540","10.1107/S1600536804019658","","","0.71073","MoKα","","0.051","0.041","","","0.098","0.102","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204190","22.4062","0.0007","22.4062","0.0007","33.854","0.002","90","","90","","120","","14719","1.1","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","[tris(2,3,4,5-tetrachloro-6-(4,8-di-tert-butyl-2,10- dimethyl-6-oxo-12H-5,7-dioxa-6λ^5^-phosphadibenzo[a,d]cycloocten-6- yloxy)phenoxido]aluminium benzene 0.25-solvate","","- C88.5 H91.5 Al Cl12 O15 P3 -","- C88.5 H91.5 Al Cl12 O15 P3 -","- C531 H549 Al6 Cl72 O90 P18 -","6","0.333333","HG6086","Satish Kumar, N.; Vittal, Jagadese J.; Kumara Swamy, K. C.","A hexacoordinated aluminium complex with a new type of seven-membered chelate ring involving a cyclic phosphate ester","Acta Crystallographica Section E","2004","60","9","m1321","m1323","10.1107/S1600536804019592","","","0.71073","MoKα","","0.0581","0.0457","","","0.1349","0.1423","","","","","","1.072","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204191","10.901","0.002","7.789","0.002","20.719","0.004","90","","97.07","0.03","90","","1745.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cu N6 O2 S2 -","- C34 H48 Cu N6 O2 S2 -","- C68 H96 Cu2 N12 O4 S4 -","2","0.5","HG6087","Nie, Yi","<i>trans</i>-Bis{2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}dithiocyanatocopper(II)","Acta Crystallographica Section E","2004","60","9","m1319","m1320","10.1107/S1600536804020136","","","0.71073","MoKα","","0.092","0.0491","","","0.1166","0.1554","","","","","","0.956","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204192","9.2511","0.0012","10.1801","0.0012","12.447","0.002","88.243","0.003","72.656","0.003","70.188","0.003","1049.5","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","4-Ethoxy-5-(hydroxymethyl)-8-methyl-2,2-diphenyl-1,3-dioxa-7-azonia- 2-borata-1,2,3,4-tetrahydronaphthalene monohydrate","","- C22 H26 B N O5 -","- C22 H26 B N O5 -","- C44 H52 B2 N2 O10 -","2","1","HG6088","Jones, Peter G.; Kliegel, Wolfgang; Barakat, Mohamed","Diphenylboron chelate of a pyridoxal hemiacetal with ethanol","Acta Crystallographica Section E","2004","60","9","o1549","o1551","10.1107/S1600536804019816","","","0.71073","MoKα","","0.0723","0.0472","","","0.1253","0.1373","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204193","8.785","0.0018","9.848","0.002","10.345","0.002","77.9","0.03","79.12","0.03","67.39","0.03","802","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl {2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}acetate","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","LH6245","Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang","Methyl {2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}acetate","Acta Crystallographica Section E","2004","60","9","o1478","o1480","10.1107/S1600536804018458","","","0.71073","MoKα","","0.0878","0.0558","","","0.1597","0.1861","","","","","","1.166","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204194","9.3056","0.0019","4.84","0.001","11.843","0.002","90","","100.181","0.003","90","","525","0.18","293","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","Dimethyl N,N'-(1,2-phenylene)dicarbamate","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","1","LH6247","Efrén V. García-Báez; Beatriz A. López-Romero; Francisco J. Martínez-Martínez; Herbert Höpfl; Itzia I. Padilla-Martínez","Dimethyl <i>N,N</i>'-(1,2-phenylene)dicarbamate","Acta Crystallographica Section E","2004","60","9","o1488","o1490","10.1107/S1600536804018690","","","0.71073","MoKα","","0.0316","0.0307","","","0.0804","0.0811","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204195","11.041","0.006","11.729","0.006","11.8","0.007","64.72","0.04","89.47","0.03","84.17","0.02","1373.6","1.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Imperatorin","9-(3-methylbut-2-enyloxy)-7H-furo[3,2-g]chromen-7-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","2","LH6250","Atta-ur-Rahman; Zareen, Seema; Choudhary, M. Iqbal; Shaheen, Farzana; Parvez, Masood","Conformations of imperatorin","Acta Crystallographica Section E","2004","60","9","o1460","o1462","10.1107/S1600536804018604","","","0.71073","MoKα","","0.062","0.048","","","0.131","0.142","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204196","9.4273","0.0015","14.479","0.002","9.4762","0.0015","90","","117.662","0.002","90","","1145.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Phenylisophosphindoline-1,3-dione","2H-2-Phenylisophosphindoline-1,3-dione","","- C14 H9 O2 P -","- C14 H9 O2 P -","- C56 H36 O8 P4 -","4","1","LH6252","Andreas Decken; Erin D. Gill; Frank Bottomley","2-Phenylisophosphindoline-1,3-dione","Acta Crystallographica Section E","2004","60","9","o1456","o1457","10.1107/S1600536804018616","","","0.71073","MoKα","","0.038","0.0322","","","0.0867","0.0908","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204197","10.048","0.002","9.3746","0.0019","19.101","0.004","90","","90.87","0.03","90","","1799","0.6","193.15","","193.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(N,N-dimethylformamide-κO)bis[1-phenyl-3-methyl-4-benzoyl-1H-pyrazol- 5(4H)-onato-κ^2^O,O']nickel(II)","","- C40 H40 N6 Ni O6 -","- C40 H40 N6 Ni O6 -","- C80 H80 N12 Ni2 O12 -","2","0.5","LH6254","Xiao-Ping Shen; Ai-Hua Yuan","Bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)bis[1-phenyl-3-methyl-4-benzoyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-onato-κ^2^<i>O</i>,<i>O</i>']nickel(II)","Acta Crystallographica Section E","2004","60","9","m1228","m1230","10.1107/S160053680401877X","","","0.71073","MoKα","","0.0715","0.0596","","","0.1039","0.1083","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204198","8.2827","0.0009","24.48","0.004","9.1094","0.0008","90","","109.588","0.004","90","","1740.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(glycolato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')zinc(II) dihydrate","","- C16 H18 N2 O8 Zn -","- C16 H18 N2 O8 Zn -","- C64 H72 N8 O32 Zn4 -","4","0.5","LH6255","Shan Gao; Li-Hua Huo; Zhu-Yan Zhang; Hui Zhao; Jing-Gui Zhao","Bis(glycolato-κ^2^<i>O,O</i>')(1,10-phenanthroline-κ^2^<i>N,N</i>')zinc(II) dihydrate","Acta Crystallographica Section E","2004","60","9","m1278","m1280","10.1107/S1600536804019774","","","0.71073","MoKα","","0.056","0.039","","","0.082","0.087","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204199","9.4503","0.0006","16.3882","0.0008","11.477","0.0009","90","","110.502","0.004","90","","1664.9","0.19","295","2","295","2","","","","","","","","3","I 1 a 1","I -2ya","9","naphthimidazole","1H‒napth[2,3-d]imidazole","","- C11 H8 N2 -","- C11 H8 N2 -","- C88 H64 N16 -","8","2","LH6257","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Hydrogen bonding in 1<i>H</i>-naphth[2,3-<i>d</i>]imidazole","Acta Crystallographica Section E","2004","60","9","o1648","o1651","10.1107/S1600536804019555","","","0.71073","MoKα","","0.0691","0.0464","","","0.1005","0.1104","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204200","18.1809","0.0004","10.6493","0.0003","6.847","0.0008","90","","90","","90","","1325.67","0.16","90","0.2","90","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-(Benzo[b]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C60 H64 N8 S4 -","4","1","LH6258","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","4-(Benzo[<i>b</i>]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile","Acta Crystallographica Section E","2004","60","9","o1533","o1534","10.1107/S1600536804019543","","","0.71073","MoKα","","0.0698","0.044","","","0.0883","0.0977","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204201","9.502","0.003","11.906","0.003","13.676","0.003","105.712","0.017","108.29","0.02","101.13","0.02","1347.1","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-hydroxy-4-benzylsydno[3,4-a](4H)indole","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","2","LH6259","Riddle, Gordon B.; Grossie, David A.; Turnbull, Kenneth","The sydnone compound 4-hydroxy-4-benzylsydno[3,4-<i>a</i>]indole","Acta Crystallographica Section E","2004","60","9","o1568","o1570","10.1107/S1600536804020082","","","0.71073","MoKα","","0.055","0.0454","","","0.1367","0.1457","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204202","10.2945","0.0005","12.5071","0.0006","15.911","0.0008","90","","90","","90","","2048.61","0.17","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","μ-Diphenylphosphido-μ-hydrido-bis[carbonyl(η^5^- cyclopentadienyl)iron(II)]","μ-Diphenylphosphido-μ-hydrido-bis[carbonyl(η^5^- cyclopentadienyl)iron(II)]","","- C24 H21 Fe2 O2 P -","- C24 H21 Fe2 O2 P -","- C96 H84 Fe8 O8 P4 -","4","1","LH6260","Andreas Decken; Crystal D. Craig; Frank Bottomley","μ-Diphenylphosphido-μ-hydrido-bis[carbonyl(η^5^-cyclopentadienyl)iron(II)]","Acta Crystallographica Section E","2004","60","9","m1284","m1285","10.1107/S1600536804019919","","","0.71073","MoKα","","0.0179","0.0173","","","0.0448","0.0451","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204203","16.927","0.002","4.5244","0.0005","19.673","0.002","90","","105.828","0.005","90","","1449.5","0.3","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(E)-{[2-(phenyldiazenyl)phenyl]ethylideneaminooxy}acetic acid","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","LH6263","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded <i>R</i>~2~^2^(8) dimers in (<i>E</i>)-{[2-(phenyldiazenyl)phenyl]ethylideneaminooxy}acetic acid","Acta Crystallographica Section E","2004","60","9","o1560","o1562","10.1107/S1600536804019877","","","0.71073","MoKα","","0.1866","0.0687","","","0.1444","0.1866","","","","","","0.945","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204204","15.137","0.004","10.787","0.003","15.24","0.004","90","","104.936","0.003","90","","2404.4","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triaqua{μ-2-[N,N-bis(carboxylatomethyl)aminomethyl]-6-[N-(carboxylatomethyl)- N-(carboxymethyl)aminomethyl]-4-nitrophenolato}dicopper(II) trihydrate","","- C16 H27 Cu2 N3 O17 -","- C16 H27 Cu2 N3 O17 -","- C64 H108 Cu8 N12 O68 -","4","1","NG6040","Jiang, Xiao-Ming; Meng, Bian-Hong; Zhang, Zhi-Gang","Triaqua{μ-2-[<i>N</i>,<i>N</i>-bis(carboxylatomethyl)aminomethyl]-6-[<i>N</i>-(carboxylatomethyl)-<i>N</i>-(carboxymethyl)aminomethyl]-4-nitrophenolato}dicopper(II) trihydrate","Acta Crystallographica Section E","2004","60","9","m1251","m1253","10.1107/S1600536804019439","","","0.71073","MoKα","","0.0869","0.0659","","","0.1491","0.1623","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204205","11.0788","0.0003","11.9997","0.0003","12.4604","0.0004","99.336","0.001","106.3","0.001","101.556","0.001","1515.09","0.08","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","diaquaocta-μ-α-methylacrylato-di-α-methylacrylatodipyridinediceriumdizinc","","- C50 H64 Ce2 N2 O22 Zn2 -","- C50 H64 Ce2 N2 O22 Zn2 -","- C50 H64 Ce2 N2 O22 Zn2 -","1","0.5","NG6041","Wu, Bin; Guo, Yong-Sheng","A tetranuclear zinc‒cerium complex: diaquaocta-μ-α-methylacrylato-di-α-methylacrylatodipyridinediceriumdizinc","Acta Crystallographica Section E","2004","60","9","m1261","m1263","10.1107/S1600536804019440","","","0.71069","MoKα","","0.0314","0.0241","","","0.0541","0.0564","","","","","","1.037","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204206","15.149","0.003","9.339","0.002","12.227","0.002","90","","106.87","0.03","90","","1655.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4a-Hydroxy-2,3,8a-trimethyl-6-oxo-8-phenylperhydroisoquinolinium chloride","","- C18 H26 Cl N O2 -","- C18 H26 Cl N O2 -","- C72 H104 Cl4 N4 O8 -","4","1","OB6389","Kostochka, Mickael L.; Lezina, Valentina P.; Stash, Adam I.; Vatsadze, Sergey Z.; Zyk, Nikolay V.","4a-Hydroxy-2,3,8a-trimethyl-6-oxo-8-phenylperhydroisoquinolinium chloride","Acta Crystallographica Section E","2004","60","9","o1472","o1473","10.1107/S1600536804018999","","","0.71073","MoKα","","0.0448","0.0274","","","0.0769","0.0804","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204207","8.252","0.0011","10.2384","0.0013","11.3422","0.0015","84.979","0.002","84.407","0.002","78.97","0.002","933.8","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-hydrogen 5-sulfosalicylate)bis[aqua(1,10-phenanthroline)lead(II)]","","- C38 H28 N4 O14 Pb2 S2 -","- C38 H28 N4 O14 Pb2 S2 -","- C38 H28 N4 O14 Pb2 S2 -","1","0.5","OB6398","Li, Jin-Feng; Zhao, Ya-Juan; Li, Xin-Hua; Hu, Mao-Lin","Bis(μ-hydrogen 5-sulfosalicylate)bis[aqua(1,10-phenanthroline)lead(II)]","Acta Crystallographica Section E","2004","60","9","m1210","m1212","10.1107/S1600536804018483","","","0.71073","MoKα","","0.0223","0.0206","","","0.0521","0.0528","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204208","7.6756","0.0006","9.2556","0.0007","10.2911","0.0008","66.459","0.001","88.165","0.002","67.361","0.002","612.18","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(E)-2,3-Dichloro-1,1,4,4-tetrakis(4-chlorophenyl)but-2-ene","","- C28 H18 Cl6 -","- C28 H18 Cl6 -","- C28 H18 Cl6 -","1","0.5","OB6399","Shimakoshi, Hisashi; Aritome, Isao; Tokunaga, Mami; Hisaeda, Yoshio","(<i>E</i>)-2,3-Dichloro-1,1,4,4-tetrakis(4-chlorophenyl)but-2-ene","Acta Crystallographica Section E","2004","60","9","o1470","o1471","10.1107/S1600536804018537","","","0.71073","MoKα","","0.0426","0.038","","","0.0946","0.0986","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204209","8.528","0.004","16.85","0.009","10.185","0.006","90","","108.697","0.008","90","","1386.3","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-methoxobis[dipyridinecopper(II)] diperchlorate","","- C22 H26 Cl2 Cu2 N4 O10 -","- C22 H26 Cl2 Cu2 N4 O10 -","- C44 H52 Cl4 Cu4 N8 O20 -","2","0.5","OB6400","Wang, Jing; Tong, Ming-Liang","Di-μ-methoxo-bis[dipyridinecopper(II)] diperchlorate","Acta Crystallographica Section E","2004","60","9","m1223","m1224","10.1107/S1600536804018987","","","0.71073","MoKα","","0.0428","0.0329","","","0.0924","0.0955","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204210","21.211","0.0009","21.211","0.0009","7.894","0.0004","90","","90","","90","","3551.6","0.3","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","1-(3-Mesityl-3-methylcyclobutyl)-2-(pyrrolidin-1-yl)ethan-1-one","","- C20 H29 N O -","- C20 H29 N O -","- C160 H232 N8 O8 -","8","1","OB6401","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim; Büyükgüngör, Orhan","1-(3-Mesityl-3-methylcyclobutyl)-2-(pyrrolidin-1-yl)ethan-1-one","Acta Crystallographica Section E","2004","60","9","o1523","o1524","10.1107/S1600536804019002","","","0.71073","MoKα","","0.1224","0.0681","","","0.1789","0.1941","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204211","7.416","0.002","8.858","0.003","23.718","0.008","90","","94.566","0.006","90","","1553.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(acetamido)-4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","OB6402","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-(Acetamido)-4,5-dimethyl-<i>N</i>-(2-methylphenyl)thiophene-3-carboxamide","Acta Crystallographica Section E","2004","60","9","o1554","o1556","10.1107/S1600536804018781","","","0.71073","MoKα","","0.0486","0.042","","","0.1176","0.1226","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204212","10.281","0.009","11.733","0.01","13.974","0.012","95.781","0.011","109.593","0.011","103.043","0.011","1518","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","heptaaqua-1κ^3^O,2κ^2^O,3κ^2^O-(μ~3~-2,6- bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato- 1κO;2κ^4^O,O',N,O^1^;3κ^4^O^1^,N',O'',O''')dizinc(II)sodium(I) pentahydrate","","- C16 H38 Cl N2 Na O21 Zn2 -","- C16 H38 Cl N2 Na O21 Zn2 -","- C32 H76 Cl2 N4 Na2 O42 Zn4 -","2","1","OB6403","Gao, Fei; Meng, Bian-Hong; Zhu, Miao-Li","An Na‒O‒Zn‒O‒Zn bridging complex of Cl-HXTA, where Cl-HXTA is 2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolate","Acta Crystallographica Section E","2004","60","9","m1225","m1227","10.1107/S1600536804018811","","","0.71073","MoKα","","0.139","0.0974","","","0.1811","0.1988","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204213","13.2381","0.0011","7.8171","0.0004","16.5034","0.0014","90","","94.654","0.007","90","","1702.2","0.2","293","2","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Bis[N-(2,6-dimethylphenyl)aminophenylglyoximato-κ^2^N,N']nickel(II) dimethyl sulfoxide solvate","Bis[N-(2,6-dimethylphenyl)aminophenylglyoximato-κ^2^N,N']nickel(II) dimethyl sulfoxide solvate","","- C34 H38 N6 Ni O5 S -","- C34 H38 N6 Ni O5 S -","- C68 H76 N12 Ni2 O10 S2 -","2","0.5","OB6405","Batı, Hümeyra; Zülfikaroğlu, Ayşin; Taş, Murat; Çalışkan, Nezihe; Soylu, Serkan; Andac, Omer; Büyükgüngör, Orhan","Bis[<i>N</i>-(2,6-dimethylphenyl)aminophenylglyoximato-κ^2^<i>N,N</i>']nickel(II) dimethyl sulfoxide solvate","Acta Crystallographica Section E","2004","60","9","m1334","m1336","10.1107/S1600536804020872","","","0.71073","MoKα","","0.0694","0.0366","","","0.0763","0.0844","","","","","","0.912","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204214","8.8184","0.0004","12.5785","0.0005","18.6036","0.0002","90","","90","","90","","2063.55","0.13","296","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","1","OB6406","Gu-Ping Tang; Xiu-Rong Hu; Jian-Ming Gu","20-Oxopregna-5,16-dien-3β-yl acetate","Acta Crystallographica Section E","2004","60","9","o1622","o1623","10.1107/S1600536804020240","","","0.7107","MoKα","","","0.054","","","","0.143","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204215","8.577","0.001","11.42","0.002","11.729","0.001","96.28","0.01","102.43","0.01","92","0.01","1113.2","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-amino-4-(4-methylphenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline- 3-carboxylate dimethylformamide solvate","","- C24 H25 N3 O5 -","- C24 H25 N3 O5 -","- C48 H50 N6 O10 -","2","1","OB6407","Xiangshan Wang; Zhaosen Zeng; Daqing Shi; Xianyong Wei; Zhimin Zong","Methyl 2-amino-4-(4-methylphenyl)-5-oxo-5,6-dihydro-4<i>H</i>-pyrano[3,2-<i>c</i>]quinoline-3-carboxylate dimethylformamide solvate","Acta Crystallographica Section E","2004","60","9","o1606","o1608","10.1107/S1600536804020586","","","0.71073","MoKα","","0.0946","0.0538","","","0.1538","0.1696","","","","","","0.901","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204216","7.056","0.004","18.202","0.009","18.715","0.009","85.002","0.007","83.941","0.007","80.575","0.006","2352","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[tetraamminezinc(II)] tetrapicrate trihydrate","","- C24 H38 N20 O31 Zn2 -","- C24 H38 N20 O31 Zn2 -","- C48 H76 N40 O62 Zn4 -","2","1","OB6408","Qu, Yang; Liu, Zhao-Di; Tan, Min-Yu; Zhu, Hai-Liang","Bis[tetraamminezinc(II)] tetrapicrate trihydrate","Acta Crystallographica Section E","2004","60","9","m1343","m1345","10.1107/S1600536804021014","","","0.71073","MoKα","","0.0651","0.0389","","","0.0877","0.0966","","","","","","0.922","","","","has coordinates,has disorder,has Fobs","203555","2020-10-21","18:00:00",""
"2204217","15.289","0.014","10.644","0.01","15.79","0.015","90","","105.212","0.013","90","","2480","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","","- C12 H15 N O3 S -","- C12 H15 N O3 S -","- C96 H120 N8 O24 S8 -","8","1","OB6409","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J. Saravanan","Methyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","Acta Crystallographica Section E","2004","60","9","o1654","o1655","10.1107/S1600536804020987","","","0.71073","MoKα","","0.0809","0.0606","","","0.1892","0.2082","","","","","","0.912","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204218","3.8184","0.0008","21.219","0.004","8.2107","0.0017","90","","101.172","0.004","90","","652.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Fluorosalicylic Acid","","- C7 H5 F O3 -","- C7 H5 F O3 -","- C28 H20 F4 O12 -","4","1","OB6413","Choudhury, A. R; Guru Row, T. N.","5-Fluorosalicylic acid","Acta Crystallographica Section E","2004","60","9","o1595","o1597","10.1107/S1600536804020343","","","0.71073","MoKα","","0.0621","0.0469","","","0.1039","0.1112","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204219","12.1542","0.001","13.8359","0.001","15.3928","0.0012","90","","90","","90","","2588.5","0.3","218","2","218","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4a-dichloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethyl-cyclohexylmethyl)-6,8- dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]chromene-5,10-dione","","- C26 H33 Cl3 O6 -","- C26 H33 Cl3 O6 -","- C104 H132 Cl12 O24 -","4","1","RN6020","Soria-Mercado, Irma E.; Jensen, Paul R.; Fenical, William.; Kassel, Scott; Golen, James","3,4a-Dichloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2<i>H</i>-benzo[<i>g</i>]chromene-5,10-dione","Acta Crystallographica Section E","2004","60","9","o1627","o1629","10.1107/S1600536804020094","","","0.71073","MoKα","","0.0414","0.0376","","","0.0923","0.0948","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204220","7.498","0.001","10.449","0.002","11.861","0.002","110.37","0.01","104.62","0.01","96.57","0.01","821.7","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-N-[N-(4-chlorobenzoyl)hydrazinocarbothioyl]benzamide","","- C15 H11 Cl2 N3 O2 S -","- C15 H11 Cl2 N3 O2 S -","- C30 H22 Cl4 N6 O4 S2 -","2","1","RN6021","Ali, Hapipah; Yusof, M. Sukeri; Khamis, Nur Ashikin; Mardi, A. Sahali; Yamin, Bohari M.","2-Chloro-<i>N</i>-[<i>N</i>-(4-chlorobenzoyl)hydrazinocarbothioyl]benzamide","Acta Crystallographica Section E","2004","60","9","o1656","o1658","10.1107/S1600536804020525","","","0.71073","MoKα","","0.045","0.04","","","0.108","0.112","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204221","12.2476","0.0008","6.5706","0.0004","10.6592","0.0008","90","","92.744","0.001","90","","856.81","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H15 N2 O4 P -","- C4 H15 N2 O4 P -","- C16 H60 N8 O16 P4 -","4","1","SJ6000","Harrison, William T. A.","Piperizinium hydrogen phosphite monohydrate","Acta Crystallographica Section E","2004","60","9","o1577","o1579","10.1107/S1600536804020185","","","0.71073","MoKα","","0.0557","0.0422","","","0.1228","0.1308","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204222","4.3681","0.0003","19.1969","0.0012","15.027","0.0009","90","","97.57","0.004","90","","1249.09","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(3-Allyloxy-2-bromophenoxy)but-2-enenitrile","","- C13 H12 Br N O2 -","- C13 H12 Br N O2 -","- C52 H48 Br4 N4 O8 -","4","1","SJ6002","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","4-(3-Allyloxy-2-bromophenoxy)but-2-enenitrile","Acta Crystallographica Section E","2004","60","9","o1636","o1638","10.1107/S1600536804020677","","","0.71073","MoKα","","0.0972","0.055","","","0.1179","0.1333","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204223","9.3359","0.0006","14.4051","0.0008","16.3707","0.0011","90","","123.459","0.004","90","","1836.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 1-n-butyl-2-(3,4-dichlorophenyl)-1H-benzimidazole-5-carboxylate","","- C19 H18 Cl2 N2 O2 -","- C19 H18 Cl2 N2 O2 -","- C76 H72 Cl8 N8 O8 -","4","1","SU6109","Burcu Arslan; Canan Kazak; Hacer Karataş; Seçkin Özden","Methyl 1-<i>n</i>-butyl-2-(3,4-dichlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2004","60","9","o1535","o1537","10.1107/S1600536804019610","","","0.71073","MoKα","","0.07","0.0428","","","0.1085","0.1169","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204224","9.193","0.0018","17.752","0.004","12.779","0.003","90","","103.43","0.03","90","","2028.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-diselenabicyclo[4.1.1]octane 7,8-dioxide","","- C22 H26 O2 Se2 -","- C22 H26 O2 Se2 -","- C88 H104 O8 Se8 -","4","1","SU6120","Meng-Xin Ding; Bing Ma; Ran Zhu; Hai-Tao Sha; Ji Shao; Xin Sheng","2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-diselenabicyclo[4.1.1]octane 7,8-dioxide","Acta Crystallographica Section E","2004","60","9","o1458","o1459","10.1107/S1600536804018392","","","0.71073","MoKα","","0.0979","0.0578","","","0.1941","0.2348","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204225","8.837","0.0018","15.488","0.003","15.155","0.003","90","","105.87","0.03","90","","1995.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis[2-(methylsulfanyl)phenyl]pyridine-2,6-dicarboxamide","","- C21 H19 N3 O2 S2 -","- C21 H19 N3 O2 S2 -","- C84 H76 N12 O8 S8 -","4","1","SU6122","Liu, Sheng-Gui; You, Xiao-Zeng; Li, Yi-Zhi; Zuo, Jing-Lin","<i>N,N</i>'-Bis[2-(methylsulfanyl)phenyl]pyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2004","60","9","o1527","o1529","10.1107/S1600536804018409","","","0.71073","MoKα","","0.0741","0.0468","","","0.0998","0.1028","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204226","7.5989","0.0017","13.185","0.004","23.38","0.005","90","","91.527","0.012","90","","2341.6","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[tris(ethylenediamine-κ^2^N,N')nickel(II) bis{naphthalene-2,6-disulfonate) dihydrate","","- C16 H32 N6 Ni O7 S2 -","- C16 H32 N6 Ni O7 S2 -","- C64 H128 N24 Ni4 O28 S8 -","4","1","SU6128","Li-Hua Huo; Shan Gao; Zhen-Zhong Lu; Shi-Xiao Xu; Hui Zhao","Tris(ethylenediamine-κ^2^<i>N,N</i>')nickel(II) naphthalene-2,6-disulfonate monohydrate","Acta Crystallographica Section E","2004","60","9","m1205","m1207","10.1107/S1600536804018471","","","0.71073","MoKα","","0.0706","0.056","","","0.1478","0.1587","","","","","","1.056","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204227","7.5982","0.0009","8.5208","0.0011","11.6213","0.0014","101.059","0.01","96.146","0.009","113.501","0.009","662.94","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(3-Methoxyphenylsulfanyl)phthalonitrile","","- C15 H10 N2 O S -","- C15 H10 N2 O S -","- C30 H20 N4 O2 S2 -","2","1","SU6129","Erdem, Talip Kaya; Atalay, Şehriman; Akdemir, Nesuhi; Ağar, Erbil; Özil ,Musa","4-(3-Methoxyphenylsulfanyl)phthalonitrile","Acta Crystallographica Section E","2004","60","9","o1481","o1482","10.1107/S1600536804018495","","","0.71073","MoKα","","0.0869","0.0572","","","0.1444","0.1593","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204228","15.297","0.002","8.8543","0.0014","7.2805","0.0008","90","","92.321","0.01","90","","985.3","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","adenosinium 3,5-dinitrosalicylate","adenosinium 3,5-dinitrosalicylate","","- C17 H17 N7 O11 -","- C17 H17 N7 O11 -","- C34 H34 N14 O22 -","2","1","SU6130","Graham Smith; Urs D. Wermuth; Peter C. Healy","Adenosinium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2004","60","9","o1573","o1576","10.1107/S1600536804019920","","","0.71069","MoKα","","0.0587","0.0365","","","0.0931","0.1216","","","","","","0.88","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204229","10.2453","0.0017","15.388","0.003","12.359","0.002","90","","100.189","0.003","90","","1917.7","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2'-[1-(2-hydroxy-5-chlorophenyl)ethylidine]benzohydrazido- κ^2^O,N^2'^}bis(pyridine-κN)zinc(II)","","- C40 H34 Cl2 N6 O4 Zn -","- C40 H34 Cl2 N6 O4 Zn -","- C80 H68 Cl4 N12 O8 Zn2 -","2","0.5","SU6131","Hapipah Ali; Khamis, Nur Ashikin; Bohari. M.Yamin","Bis{2'-[1-(2-hydroxy-5-chlorophenyl)ethylidene]benzohydrazido-κ^2^<i>O</i>,<i>N</i>^2'^}bis(pyridine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2004","60","9","m1311","m1313","10.1107/S1600536804020501","","","0.71073","MoKα","","0.0667","0.0535","","","0.126","0.1344","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204230","19.1402","0.0009","5.4608","0.0002","16.8888","0.0007","90","","90","","90","","1765.23","0.13","105","","105","","","","","","","","","5","P c a 21","P 2c -2ac","29","","tris(3-nitrophenyl)phosphine oxide","","- C18 H12 N3 O7 P -","- C18 H12 N3 O7 P -","- C72 H48 N12 O28 P4 -","4","1","SU6134","Jean-Noël, Gregory; Fronczek, Frank R.; Isovitsch, Ralph","Tris(3-nitrophenyl)phosphine oxide","Acta Crystallographica Section E","2004","60","9","o1646","o1647","10.1107/S1600536804020732","","","0.71073","MoKα","","0.072","0.044","","","0.079","0.087","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204231","8.9496","0.0006","15.1684","0.0012","24.86","0.002","107.509","0.002","91.601","0.002","100.455","0.002","3152.7","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","μ-Oxo-bis[(protoporphyrin IX dimethyl ester)iron(III)]","","- C72 H72 Fe2 N8 O9 -","- C72 H72 Fe2 N8 O9 -","- C144 H144 Fe4 N16 O18 -","2","1","TK6178","Cheng, Lin; Lee, Jonghyuk; Powell, Douglas R.; Richter-Addo, George B.","μ-Oxo-bis[(protoporphyrin IX dimethyl ester)iron(III)]","Acta Crystallographica Section E","2004","60","9","m1340","m1342","10.1107/S1600536804020951","","","0.71073","MoKα","","0.114","0.067","","","0.186","0.216","","","","","","1.05","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204232","15.639","0.003","10.152","0.002","19.996","0.004","90","","92.23","0.03","90","","3172.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(benzene-1,4-dioxyacetate)bis(2,2-bipyridine)cobalt(II) tetrahydrate","","- C30 H34 Co N4 O11 -","- C30 H34 Co N4 O11 -","- C120 H136 Co4 N16 O44 -","4","1","TK6179","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","Aqua(benzene-1,4-dioxyacetate)bis(2,2-bipyridine)cobalt(II) tetrahydrate","Acta Crystallographica Section E","2004","60","9","m1202","m1204","10.1107/S160053680401846X","","","0.71073","MoKα","","0.097","0.051","","","0.085","0.097","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204233","7.884","0.0001","10.5648","0.0001","24.6438","0.0004","90","","90","","90","","2052.65","0.05","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","O^2^,O^3^:O^4^,O^5^-Bis(phenylboranediyl)-β-D-fructopyranose acetone solvate","","- C21 H24 B2 O7 -","- C21 H24 B2 O7 -","- C84 H96 B8 O28 -","4","1","TK6180","Draffin, Scott P.; Duggan, Peter J.; Fallon, Gary D.","<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^-Bis(phenylboranediyl)-β-<small>D</small>-fructopyranose acetone solvate","Acta Crystallographica Section E","2004","60","9","o1520","o1522","10.1107/S1600536804019245","","","0.71073","MoKα","","0.06","0.037","","","0.078","0.084","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204234","6.828","0.002","7.197","0.003","7.384","0.003","70.22","0.01","74.28","0.01","65.7","0.01","307.5","0.2","174","2","174","2","","","","","","","","4","P -1","-P 1","2","","m-Cyanophenol","","- C7 H5 N O -","- C7 H5 N O -","- C14 H10 N2 O2 -","2","1","TK6181","Britton, Doyle","<i>m</i>-Cyanophenol","Acta Crystallographica Section E","2004","60","9","o1513","o1514","10.1107/S1600536804019257","","","0.71073","MoKα","","0.041","0.036","","","0.103","0.107","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204235","8.4219","0.0013","9.962","0.0012","12.4307","0.0015","90","","90.916","0.011","90","","1042.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-amino-5-isopropyl-1,3-thiazole-4-carboxylate","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C32 H48 N8 O8 S4 -","4","1","TK6182","Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D.","Methyl 2-amino-5-isopropyl-1,3-thiazole-4-carboxylate","Acta Crystallographica Section E","2004","60","9","o1510","o1512","10.1107/S1600536804019282","","","0.71069","MoKα","","0.098","0.041","","","0.106","0.125","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204236","9.6708","0.0002","17.0961","0.0003","10.3028","0.0002","90","","109.665","0.001","90","","1604.04","0.05","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triphenylsilyl azide","azidotriphenylsilane","","- C18 H15 N3 Si -","- C18 H15 N3 Si -","- C72 H60 N12 Si4 -","4","1","TK6184","Wharf, Ivor; Bélanger-Gariépy, Francine","Azidotriphenylsilane: a new determination","Acta Crystallographica Section E","2004","60","9","o1643","o1645","10.1107/S1600536804020112","","","1.54178","CuKα","","0.044","0.039","","","0.117","0.121","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204237","10.2","0.0008","15.254","0.001","22.986","0.002","90","","90.508","0.006","90","","3576.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","26,28-Bis(benzyloxy)-25,27-dihydroxy-5,17-dinitrocalix[4]arene","","- C43 H38 N2 O9 -","- C42 H34 N2 O8 -","- C168 H136 N8 O32 -","4","1","TK6185","Bolte, Michael; Sakhaii, Peyman","26,28-Bis(benzyloxy)-25,27-dihydroxy-5,17-dinitrocalix[4]arene methanol solvate","Acta Crystallographica Section E","2004","60","9","o1639","o1640","10.1107/S1600536804020860","","","0.71073","MoKα","","0.088","0.057","","","0.139","0.153","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204238","14.635","0.007","12.476","0.005","15.314","0.007","90","","115.726","0.005","90","","2519","2","113.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cl2 N5 O5 Zn -","- C23 H23 Cl2 N5 O5 Zn -","- C92 H92 Cl8 N20 O20 Zn4 -","4","1","WK6023","Kojima, Takahiko; Weber, David M.; Choma, Christin T.","{<i>N</i>-[Bis(2-pyridyl)methyl]-<i>N,N</i>-bis(2-pyridyl)methylamine-κ^5^<i>N</i>}chlorozinc(II) perchlorate monohydrate","Acta Crystallographica Section E","2004","60","9","m1291","m1292","10.1107/S1600536804019889","","","0.7107","MoKα","","","0.056","","","","0.163","","","","","","1.512","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204239","7.0467","0.0005","17.6802","0.0013","11.2725","0.0007","90","","104.355","0.005","90","","1360.56","0.17","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Benzyl-4-phenyl-2,4-dihydro-1,2,4-triazole-3-thione","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C60 H52 N12 S4 -","4","1","WK6024","Mehmet Akkurt; Sema Öztürk; Süleyman Servi; Ahmet Cansız; Memet Şekerci; Canan Kazak","5-Benzyl-4-phenyl-2,4-dihydro-1,2,4-triazole-3-thione","Acta Crystallographica Section E","2004","60","9","o1507","o1509","10.1107/S1600536804019099","","","0.71073","MoKα","","0.063","0.039","","","0.09","0.096","","","","","","0.89","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204240","9.5227","0.0007","10.2195","0.0007","17.5587","0.0012","73.238","0.004","75.348","0.004","87.593","0.004","1582.1","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cl5 O2 P -","- C13 H8 Cl5 O2 P -","- C52 H32 Cl20 O8 P4 -","4","2","WK6025","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Meng, Liliy Y. C.","α,α,4-Trichloro-α-phenyl-<i>o</i>-tolyl dichlorophosphinate","Acta Crystallographica Section E","2004","60","9","o1486","o1487","10.1107/S1600536804018719","","","0.71073","MoKα","","0.031","0.025","","","0.068","0.071","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204241","12.451","0.004","18.447","0.006","12.676","0.005","90","","99.72","0.008","90","","2869.7","1.7","137","2","137","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Di(bistrimethylsilylcyclopentadienyl)vanadium","Bis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]vanadium(II)","","- C22 H42 Si4 V -","- C22 H42 Si4 V -","- C88 H168 Si16 V4 -","4","0.5","WK6028","Chadwick D. Sofield; Marc D. Walter; Richard A. Andersen","Bis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]vanadium(II)","Acta Crystallographica Section E","2004","60","9","m1296","m1297","10.1107/S1600536804020276","","","0.71069","MoKα","","0.071","0.048","","","0.127","0.134","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204242","6.3987","0.0007","6.6899","0.0007","17.2975","0.0019","90","","90","","90","","740.45","0.14","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rubidium lead phosphorus tetrasulfide","","- P Pb Rb S4 -","- P Pb Rb S4 -","- P4 Pb4 Rb4 S16 -","4","1","WM6026","Yao, Jiyong; Ibers, James A.","RbPbPS~4~","Acta Crystallographica Section E","2004","60","9","i108","i110","10.1107/S1600536804018513","","","0.71073","MoKα","","0.0215","0.02","","","0.0486","0.0491","","","","","","1.388","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204243","16.374","0.002","4.2382","0.0005","18.78","0.002","90","","90","","90","","1303.3","0.3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dicesium dibismuth zinc pentaselenide","","- Bi2 Cs2 Se5 Zn -","- Bi2 Cs2 Se5 Zn -","- Bi8 Cs8 Se20 Zn4 -","4","0.5","WM6027","Yao, Jiyong; Ibers, James A.","Cs~2~Bi~2~ZnSe~5~","Acta Crystallographica Section E","2004","60","9","i111","i113","10.1107/S1600536804018501","","","0.71073","MoKα","","0.0283","0.0253","","","0.0645","0.0658","","","","","","1.149","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204244","9.7342","0.0005","9.7342","0.0005","24.4754","0.0014","90","","90","","120","","2008.45","0.19","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Potassium tetratin(II) tris(orthophosphate)","Potassium tetratin(II) tris(orthophosphate)","","- K O12 P3 Sn4 -","- K O12 P3 Sn4 -","- K6 O72 P18 Sn24 -","6","0.333333","WM6028","Deng, Jin-Feng; Kang, You-Jun; Mi, Jin-Xiao; Li, Man-Rong; Zhao, Jing-Tai; Mao, Shao-Yu","KSn~4~(PO~4~)~3~","Acta Crystallographica Section E","2004","60","9","i116","i117","10.1107/S160053680401966X","","","0.71073","MoKα","","0.0172","0.0168","","","0.0404","0.0406","","","","","","1.246","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204245","7.474","0.001","10.545","0.001","8.568","0.001","90","","100.223","0.009","90","","664.55","0.14","288","2","288","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-(4-Chlorobenzylidene)cyclooctanone","","- C15 H17 Cl O -","- C15 H17 Cl O -","- C30 H34 Cl2 O2 -","2","1","WN6265","Shen-Lin Huang; Yu-Lin Zhu; Yuan-Jiang Pan","(<i>E</i>)-2-(4-Chlorobenzylidene)cyclooctanone","Acta Crystallographica Section E","2004","60","9","o1504","o1506","10.1107/S1600536804017994","","","0.71073","MoKα","","0.0508","0.0356","","","0.0755","0.079","","","","","","0.962","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204246","10.4802","0.0007","7.1166","0.001","14.6924","0.00014","90","","90","","90","","1095.81","0.17","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(E)-4,4,4-Trichloro-1-phenylbut-2-en-1-one","","- C10 H7 Cl3 O -","- C10 H7 Cl3 O -","- C40 H28 Cl12 O4 -","4","0.5","WN6272","Zhang, Xing-Guo; Zhong, Ping; Hu, Mao-Lin; Wang, Dan-Yan; Lin, Dan","(<i>E</i>)-4,4,4-Trichloro-1-phenylbut-2-en-1-one","Acta Crystallographica Section E","2004","60","9","o1465","o1466","10.1107/S1600536804018549","","","0.71073","MoKα","","0.0861","0.0788","","","0.2209","0.2277","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204247","9.939","0.003","9.988","0.003","11.546","0.004","80.848","0.005","86.55","0.006","62.444","0.005","1003.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-methylphenyl)-1-phenyl-3-(p-tolylsulfonylamino)propan-1-one","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C46 H46 N2 O6 S2 -","2","1","WW6257","Yu, Zhifang; Zhao, Bing; Gu, Xiuyan; Liu, Yi","3-(<i>p</i>-Tolyl)-1-phenyl-3-(<i>p</i>-tolylsulfonylamino)propan-1-one","Acta Crystallographica Section E","2004","60","9","o1474","o1475","10.1107/S1600536804018343","","","0.71073","MoKα","","0.098","0.0581","","","0.1412","0.1648","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204248","7.188","0.002","17.363","0.005","8.297","0.002","90","","93.267","0.005","90","","1033.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Ethoxy-5-(1-hydroxyethyl)-1-methylpyrrolidin-2-one","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","1","WW6258","Ma, Guo-Chun; Liu, Hui-Min; Zhang, Wen-Qin","5-Ethoxy-5-(1-hydroxyethyl)-1-methylpyrrolidin-2-one","Acta Crystallographica Section E","2004","60","9","o1541","o1542","10.1107/S1600536804019026","","","0.71073","MoKα","","0.0932","0.0539","","","0.1145","0.13","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204249","12.356","0.004","7.309","0.002","6.508","0.002","90","","120.796","0.005","90","","504.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-Poly[[dimethanolcobalt(II)]-di-μ-1,5-dicyanamido]","","- C6 H8 Co N6 O2 -","- C6 H8 Co N6 O2 -","- C12 H16 Co2 N12 O4 -","2","0.25","WW6261","Zhou, Ai-Ju; Zheng, Ling-Ling; Tong, Ming-Liang","<i>catena</i>-Poly[[dimethanolcobalt(II)]-di-μ-1,5-dicyanamido]","Acta Crystallographica Section E","2004","60","9","m1254","m1255","10.1107/S1600536804019452","","","0.71073","MoKα","","0.0279","0.0275","","","0.0744","0.0747","","","","","","1.198","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204250","8.583","0.0002","18.5242","0.0004","9.3889","0.0002","90","","93.359","0.001","90","","1490.21","0.06","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-tert-Butyl-2-(N,N-dimethylaminocarbonylthio)isophthalaldehyde","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","WW6265","McKenzie, Christine, J.; Bond, Andrew D.","5-<i>tert</i>-Butyl-2-(<i>N</i>,<i>N</i>-dimethylaminocarbonylthio)isophthalaldehyde","Acta Crystallographica Section E","2004","60","9","o1525","o1526","10.1107/S1600536804019233","","","0.71073","MoKα","","0.0514","0.0372","","","0.1045","0.1122","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204251","6.906","0.007","12.538","0.013","9.099","0.009","90","","91.012","0.017","90","","787.7","1.4","293","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-7-chloro-1,8-naphthyridine","","- C8 H6 Cl N3 -","- C8 H6 Cl N3 -","- C32 H24 Cl4 N12 -","4","1","WW6272","Yudong, Shen; Haiqiang, Wu; Xianzhang, Bu; Lianquan, Gu","2-Amino-7-chloro-1,8-naphthyridine","Acta Crystallographica Section E","2004","60","9","o1641","o1642","10.1107/S1600536804020884","","","0.71073","MoKα","","0.0417","0.0357","","","0.1026","0.1081","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204252","11.3309","0.0003","9.8033","0.0002","17.7075","0.0003","90","","106.487","0.001","90","","1886.08","0.07","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br P -","- C22 H24 Br P -","- C88 H96 Br4 P4 -","4","1","WW6273","Czerwinski, Edmund W.","Isobutyltriphenylphosphonium bromide","Acta Crystallographica Section E","2004","60","9","o1601","o1602","10.1107/S1600536804020483","","","1.5418","CuKα","","0.046","0.0392","","","","0.112","","","","","","1.133","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204253","12.6009","0.0017","20.845","0.003","12.6417","0.0017","90","","90.418","0.003","90","","3320.5","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{4-Chloro-2'-[1-(5-chloro-2-oxidophenyl)ethylidene- κ^3^O,N^2'^,O']benzhydrazido}tris(pyridine-κN)nickel(II) pyridine solvate","","- C35 H30 Cl2 N6 Ni O2 -","- C35 H30 Cl2 N6 Ni O2 -","- C140 H120 Cl8 N24 Ni4 O8 -","4","1","YA6210","Ali, Hapipah; Khamis, Nur Ashikin; Basirun, W. Jefri; Yamin, Bohari M.","{4-Chloro-2'-[1-(5-chloro-2-oxidophenyl)ethylidene-κ^3^<i>O,N</i>^2'^,<i>O</i>']benzhydrazido}tris(pyridine-κ<i>N</i>)nickel(II) pyridine solvate","Acta Crystallographica Section E","2004","60","9","m1351","m1352","10.1107/S1600536804020756","","","0.71073","MoKα","","0.095","0.061","","","0.127","0.141","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204255","11.3605","0.0016","11.2772","0.0015","13.5039","0.0019","90","","91.269","0.003","90","","1729.6","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro[3,3'-bis(ethoxycarbonyl)-2,2'-bipyridyl-κ^2^N,N']copper(II)","","- C16 H16 Cl2 Cu N2 O4 -","- C16 H16 Cl2 Cu N2 O4 -","- C64 H64 Cl8 Cu4 N8 O16 -","4","0.5","AC6111","Wu, Ben-Lai; Zhou, You-Fu; Han, Lei; Hong, Mao-Chun","Dichloro[3,3'-bis(ethoxycarbonyl)-2,2'-bipyridyl-κ^2^<i>N,N</i>']copper(II)","Acta Crystallographica Section E","2004","60","10","m1365","m1366","10.1107/S1600536804021257","","","0.71073","MoKα","","0.0919","0.0683","","","0.1266","0.1379","","","","","","1.234","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2204256","11.9264","0.0013","9.2297","0.001","7.6075","0.0008","90","","105.381","0.002","90","","807.42","0.15","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","tetramethyl terphenyl","3,3',5,5'-tetramethylterphenyl","","- C22 H22 -","- C22 H22 -","- C44 H44 -","2","0.5","AC6115","Xu, Jiyang; Côté, Adrien P.; Chen, Banglin","3,3',5,5'-Tetramethylterphenyl","Acta Crystallographica Section E","2004","60","10","o1697","o1698","10.1107/S1600536804021282","","","0.71073","MoKα","","0.0527","0.0469","","","0.1657","0.1766","","","","","","0.743","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204257","10.009","0.002","10.519","0.003","13.311","0.001","106.822","0.013","99.037","0.013","100.245","0.019","1287.3","0.5","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N S -","- C33 H29 N S -","- C66 H58 N2 S2 -","2","1","AC6116","Brito, Ivań; Vargas, Danitza; Leoń, Yasna; Caŕdenas, Alejandro; Loṕez-Rodriǵuez, Matiás; Wittke, Oscar","<i>N,N</i>-Dibenzyltriphenylmethanesulfenamide","Acta Crystallographica Section E","2004","60","10","o1668","o1670","10.1107/S1600536804021427","","","1.5418","CuKα","","","0.0426","","","","0.1223","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204258","12.566","0.014","10.235","0.011","4.279","0.004","90","","104.92","0.04","90","","531.8","1","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H8 Ag Cl N2 -","- C12 H8 Ag Cl N2 -","- C24 H16 Ag2 Cl2 N4 -","2","0.5","AC6117","Odoko, Mamiko; Wang, Yue; Okabe, Nobuo","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N,N</i>')silver(I)]-μ-chloro]","Acta Crystallographica Section E","2004","60","10","m1522","m1524","10.1107/S1600536804023724","","","0.7107","MoKα","","","0.036","","","","0.066","","","","","","0.887","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204259","11.602","0.003","6.2657","0.0012","10.898","0.002","90","","106.85","0.02","90","","758.2","0.3","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C28 H26 N6 O12 -","2","1","AC6119","Ohba, Shigeru; Ito, Yoshikatsu; Arimoto, Satoru","Benzylammonium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2004","60","10","o1833","o1834","10.1107/S1600536804022962","","","0.71073","MoKα","","","0.0403","","","","0.1061","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204260","14.546","0.003","15.065","0.004","6.93","0.002","90","","90","","90","","1518.6","0.7","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H15 N3 O9 -","- C14 H15 N3 O9 -","- C56 H60 N12 O36 -","4","1","AC6120","Ohba, Shigeru; Ito, Yoshikatsu; Arimoto, Satoru","3,4-Dihydroxybenzylammonium 3,5-dinitrobenzoate monohydrate","Acta Crystallographica Section E","2004","60","10","o1835","o1836","10.1107/S1600536804022974","","","0.71073","MoKα","","","0.0334","","","","0.0896","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204261","8.2811","0.0014","13.071","0.002","25.204","0.004","85.82","0.01","87.96","0.01","82.54","0.01","2696.9","0.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetradecylammonium) 7-hydroxy-8-phenyldiazenyl-7,8-dihydronaphthalene-1,3-disulfonate 1.8-hydrate","","- C50 H89.6 N4 O8.8 S2 -","- C50 H89.606 N4 O8.803 S2 -","- C100 H179.212 N8 O17.606 S4 -","2","1","BT6497","Faul, Charl F. J.; Antonietti, Markus; Massa, Werner","Bis[trimethyl(tetradecyl)ammonium] 7-hydroxy-8-phenyldiazenyl-7,8-dihydronaphthalene-1,3-disulfonate 1.8-hydrate: ionic self-assembly","Acta Crystallographica Section E","2004","60","10","o1769","o1772","10.1107/S1600536804020380","","","0.71073","MoKα","","0.195","0.0524","","","0.0557","0.0754","","","","","","0.745","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2204262","12.6936","0.0019","17.023","0.003","16.809","0.003","90","","102.843","0.003","90","","3541.3","1","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(η^8^-Cyclooctenyl)(m-terphenyl)lutetium-μ-chloro-[tris(tetra- hydrofuran)lithium(I)]","","- C38 H45 Cl Li Lu O3 -","- C38 H45 Cl Li Lu O3 -","- C152 H180 Cl4 Li4 Lu4 O12 -","4","1","BT6499","Rabe, Gerd W.; Zhang-Preße, Mei; Riederer, Florian A.; Incarvito, Christopher D.; Golen, James A.; Rheingold, Arnold L.","(η^8^-Cyclooctatetraenyl)(<i>m</i>-terphenyl)lutetium-μ-chloro-[tris(tetrahydrofuran)lithium(I)]","Acta Crystallographica Section E","2004","60","10","m1389","m1390","10.1107/S1600536804021439","","","0.71073","MoKα","","0.044","0.0296","","","0.0697","0.077","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","194388","2020-10-21","18:00:00",""
"2204263","5.036","0.002","18.915","0.002","6.152","0.001","90","","96.21","0.02","90","","582.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","catena-(bis(υ~2~-L-asparaginato-N,O,O')copper(II)","","","- C8 H14 Cu N4 O6 -","- C8 H14 Cu N4 O6 -","- C16 H28 Cu2 N8 O12 -","2","1","BT6505","Vencato, Ivo; Lariucci, Carlito; Ferreira, Katiuscia D.; Santana, Ricardo C.; Carvalho, Jesiel F.","Redetermination of bis(<small>L</small>-asparaginato)copper(II)","Acta Crystallographica Section E","2004","60","10","m1428","m1430","10.1107/S1600536804022202","","","1.5418","CuKα","","0.034","0.034","","","0.092","0.092","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204264","6.673","0.0011","7.5834","0.0013","7.6157","0.0013","105.401","0.003","93.134","0.003","115.089","0.002","330.26","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5,5-dihydroxybarbituric acid monohydrate","","- C4 H6 N2 O6 -","- C4 H6 N2 O6 -","- C8 H12 N4 O12 -","2","1","BT6506","Thomas C. Lewis; Derek A. Tocher","5,5-Dihydroxybarbituric acid monohydrate (alloxan dihydrate)","Acta Crystallographica Section E","2004","60","10","o1689","o1690","10.1107/S1600536804021555","","","0.71073","MoKα","","0.0545","0.0427","","","0.096","0.1021","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204265","9.4614","0.0008","12.2095","0.001","7.2973","0.0006","90","","91.465","0.001","90","","842.7","0.12","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","5,5-dihydroxybarbituric acid trihydrate","","- C4 H10 N2 O8 -","- C4 H10 N2 O8 -","- C16 H40 N8 O32 -","4","0.5","BT6507","Thomas C. Lewis; Derek A. Tocher","Redetermination of 5,5-dihydroxybarbituric acid trihydrate (alloxan tetrahydrate)","Acta Crystallographica Section E","2004","60","10","o1748","o1750","10.1107/S1600536804022019","","","0.71073","MoKα","","0.0286","0.0283","","","0.0771","0.0775","","","","","","1.116","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204266","4.7934","0.0009","23.634","0.004","9.34","0.001","90","","104.48","0.03","90","","1024.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[zinc(II)-μ-1,4-phenylenedioxydiacetato-κ^2^O:O']","","- C10 H8 O6 Zn -","- C10 H8 O6 Zn -","- C40 H32 O24 Zn4 -","4","1","BT6509","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","Poly[zinc(II)-μ~4~-1,4-phenylenedioxydiacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","10","m1370","m1371","10.1107/S1600536804021336","","","0.71073","MoKα","","0.044","0.035","","","0.085","0.088","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204267","12.011","0.0001","12.011","0.0001","14.4768","0.0003","90","","90","","90","","2088.48","0.05","213","2","213","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Bis(μ-N-methylethylamido)bis[tert-butylchloroaluminium]","","- C14 H34 Al2 Cl2 N2 -","- C14 H34 Al2 Cl2 N2 -","- C56 H136 Al8 Cl8 N8 -","4","0.5","BT6510","Hecht, Elmar","Bis(μ-<i>N</i>-methylethylamido)bis[<i>tert</i>-butylchloroaluminium]","Acta Crystallographica Section E","2004","60","10","m1387","m1388","10.1107/S1600536804021622","","","0.71073","MoKα","","0.0873","0.0597","","","0.1086","0.1236","","","","","","1.17","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204268","11.654","0.002","7.8702","0.0006","10.855","0.002","90","","93.42","0.01","90","","993.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Piperazinium dichromate(VI)","Piperazinium dichromate(VI)","","- C4 H12 Cr2 N2 O7 -","- C4 H12 Cr2 N2 O7 -","- C16 H48 Cr8 N8 O28 -","4","1","BT6511","Srinivasan, Bikshandarkoil R.; Naik, Ashish R.; Näther, Christian; Bensch, Wolfgang","Piperazinium dichromate(VI)","Acta Crystallographica Section E","2004","60","10","m1384","m1386","10.1107/S1600536804021543","","","0.71073","MoKα","","0.0368","0.0263","","","0.0742","0.0778","","","","","","1.07","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204269","10.789","0.003","15.42","0.004","11.742","0.003","90","","90.555","0.004","90","","1953.4","0.9","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(N,N-dimethylformamide)-1,2,4,5-benzenedicarboxylatodicobalt(II)","","- C16 H16 Co2 N2 O10 -","- C16 H16 Co2 N2 O10 -","- C64 H64 Co8 N8 O40 -","4","1","BT6512","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","Octahedral and tetrahedral coordination for cobalt(II) in polymeric (μ~8~-benzene-1,2,4,5-tetracarboxylato)bis(<i>N</i>,<i>N</i>-dimethylformamide)dicobalt","Acta Crystallographica Section E","2004","60","10","m1400","m1402","10.1107/S1600536804021944","","","0.71073","MoKα","","0.0719","0.0548","","","0.1223","0.1488","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204270","16.603","0.003","16.565","0.003","17.483","0.004","90","","90","","90","","4808.3","1.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,4-Dibenzoyl-2,5-dimethylpyrrole-N-(4-methoxy)benzamide","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C224 H192 N16 O32 -","8","1","BT6513","Gao, Shan; Huo, Li- Hua; Zhao, Hui; Ng, Seik Weng","<i>N</i>-(3,4-Dibenzoyl-2,5-dimethylpyrrol-1-yl)-4-methoxybenzamide","Acta Crystallographica Section E","2004","60","10","o1733","o1735","10.1107/S1600536804021956","","","0.71073","MoKα","","0.1217","0.0618","","","0.1362","0.1667","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204271","10.568","0.002","5.988","0.001","8.844","0.002","90","","91.55","0.03","90","","559.45","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Diglycine cobalt dichloride dihydrate","","","- C4 H14 Cl2 Co N2 O6 -","- C4 H14 Cl2 Co N2 O6 -","- C8 H28 Cl4 Co2 N4 O12 -","2","0.5","BT6514","Katharina Stenzel; Michel Fleck","Poly[[[diaquacobalt(II)]-di-μ-glycine] dichloride]","Acta Crystallographica Section E","2004","60","10","m1470","m1472","10.1107/S1600536804022573","","","0.71073","MoKα","","0.0244","0.0219","","","0.0561","0.0579","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204272","13.1473","0.0003","7.8193","0.0012","17.4268","0.0006","90","","102.086","0.002","90","","1751.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-(2-Chlorophenyl)-2,3-dihydro-1'-methyl-3'-nitrospiro[1H-indole-3,2'- pyrrolidin]-2-one","","- C18 H16 Cl N3 O3 -","- C18 H16 Cl N3 O3 -","- C72 H64 Cl4 N12 O12 -","4","1","BT6518","N. Sampath; M. N. Ponnuswamy; M. Poornachandran; R. Raghunathan","4'-(2-Chlorophenyl)-2,3-dihydro-1'-methyl-3'-nitrospiro[1<i>H</i>-indole-3,2'-pyrrolidin]-2-one","Acta Crystallographica Section E","2004","60","10","o1862","o1864","10.1107/S1600536804023529","","","0.71073","MoKα","","0.1596","0.0566","","","0.1358","0.1658","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204273","11.52","0.003","10.42","0.003","16.011","0.005","90","","111.084","0.005","90","","1793.3","0.9","218","2","218","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(m-terphenyl)(η^8^-cyclooctatetraenyl)yttrium(μ-chloro)lithium tris(tetra-hydrofuran)","","- C38 H45 Cl Li O3 Y -","- C38 H45 Cl Li O3 Y -","- C76 H90 Cl2 Li2 O6 Y2 -","2","1","BT6520","Rabe, Gerd W.; Zhang-Preße, Mei; Riederer, Florian A.; Incarvito, Christopher D.; Golen, James A.; Rheingold, Arnold L.","(η^8^-Cyclooctatetraenyl)(<i>m</i>-terphenyl)yttrium-μ-chloro-[tris(tetrahydrofuran)lithium(I)]","Acta Crystallographica Section E","2004","60","10","m1442","m1443","10.1107/S1600536804022524","","","0.71073","MoKα","","0.06","0.0381","","","0.0665","0.0699","","","","","","0.854","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204274","13.064","0.007","7.1007","0.0017","14.863","0.008","90","","92.96","0.03","90","","1376.9","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","anilinium picrate: polymorph 2","anilinium 2,4,6-trinitrophenate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","1","BT6521","Graham Smith; Urs D. Wermuth; Peter C. Healy","A second crystal polymorph of anilinium picrate","Acta Crystallographica Section E","2004","60","10","o1800","o1803","10.1107/S1600536804022603","","","0.71069","MoKα","","0.168","0.0531","","","0.1494","0.2091","","","","","","0.921","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204275","19.258","0.001","7.2459","0.0004","8.8593","0.0005","90","","90","","90","","1236.24","0.12","295","2","295","2","","","","","","","","5","I m m a","-I 2b 2","74","","poly[cobalt(II)-μ~2~-N,N-dimethylformamide-κ^2^O:O-μ~4~-terephthalato- κ^4^O:O':O'':O''']","","- C11 H11 Co N O5 -","- C11 H11 Co N O5 -","- C44 H44 Co4 N4 O20 -","4","0.25","BT6522","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","The 1:1 adduct of cobalt(II) terephthalate with <i>N,N</i>-dimethylformamide","Acta Crystallographica Section E","2004","60","10","m1507","m1509","10.1107/S1600536804023384","","","0.71073","MoKα","","0.0322","0.0318","","","0.0927","0.0933","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204276","25.022","0.001","9.534","0.0005","17.923","0.001","90","","130.417","0.001","90","","3255.3","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(N,N-dimethylformamide)tri-μ~5~,μ~5~,μ~4~-terephathalato-dimanganese","","- C30 H26 Mn3 N2 O14 -","- C30 H26 Mn3 N2 O14 -","- C120 H104 Mn12 N8 O56 -","4","0.5","BT6523","Fu, Yun-Long; Ren, Jia-Lin; Qiao, Hai-Ping; Ng, Seik Weng","The 1:2/3adduct of manganese(II) terephthalate with <i>N,N</i>-dimethylformamide","Acta Crystallographica Section E","2004","60","10","m1510","m1512","10.1107/S1600536804023396","","","0.71073","MoKα","","0.0508","0.0413","","","0.1038","0.1092","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204277","8.1464","0.0005","23.5768","0.0014","15.2385","0.0009","90","","96.626","0.002","90","","2907.2","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(dibenzo-18-crown-6)[phenyl(2-pyridyl)amido]rubidium(I)","","- C31 H33 N2 O6 Rb -","- C31 H33 N2 O6 Rb -","- C124 H132 N8 O24 Rb4 -","4","1","BT6524","Clegg, William; Liddle, Stephen T.","(Dibenzo-18-crown-6)(2-phenylamidopyridine)rubidium(I)","Acta Crystallographica Section E","2004","60","10","m1492","m1494","10.1107/S1600536804023359","","","0.71073","MoKα","","0.0386","0.0274","","","0.0602","0.0616","","","","","","0.92","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204278","26.95","0.002","10.312","0.0009","22.866","0.0019","90","","117.607","0.002","90","","5631.2","0.8","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Dibenzo-18-crown-6)(2-phenylamidopyridine)potassium(I)","","- C31 H33 K N2 O6 -","- C31 H33 K N2 O6 -","- C248 H264 K8 N16 O48 -","8","1","BT6525","Clegg, William; Liddle, Stephen T.","(Dibenzo-18-crown-6)(2-phenylamidopyridine)potassium(I)","Acta Crystallographica Section E","2004","60","10","m1495","m1497","10.1107/S1600536804023360","","","0.71073","MoKα","","0.0798","0.0433","","","0.1","0.1102","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204279","18.5787","0.001","9.4933","0.0015","17.3172","0.0015","90","","93.112","0.006","90","","3049.8","0.6","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(benzyltrimethylammonium) tetrachloronickel(II) N-methylpyrrolidin-2-one solvate","","- C25 H41 Cl4 N3 Ni O -","- C25 H41 Cl4 N3 Ni O -","- C100 H164 Cl16 N12 Ni4 O4 -","4","1","BT6526","Kooijman, Huub; Keegstra, Menno A.; Brandsma, Lambert; Spek, Anthony L.","Bis(benzyltrimethylammonium) tetrachloronickelate(II) <i>N</i>-methylpyrrolidin-2-one solvate","Acta Crystallographica Section E","2004","60","10","m1513","m1515","10.1107/S1600536804023487","","","0.71073","MoKα","","0.1897","0.0687","","","0.1431","0.1822","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204280","20.0567","0.0011","8.2412","0.0005","23.8154","","90","","91.263","0.001","90","","3935.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N-[(1S,2S,3R)-3-(tert-Butyldiphenylsiloxy)-2-bromo-1-phenyl-4- (phenylsulfinyl)butyl]benzenesulfonamide","","- C39 H42 Br N O4 S2 Si -","- C39 H42 Br N O4 S2 Si -","- C156 H168 Br4 N4 O16 S8 Si4 -","4","1","BT6527","K. Ravikumar; G. Y. S. K. Swamy; Sadagopan Raghavan; Ch. Naveen Kumar","<i>N</i>-[(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-Bromo-3-(<i>tert</i>-butyldiphenylsiloxy)-1-phenyl-4-(phenylsulfinyl)butyl]benzenesulfonamide","Acta Crystallographica Section E","2004","60","10","o1880","o1882","10.1107/S1600536804023694","","","0.71073","MoKα","","0.1146","0.0543","","","0.1091","0.1302","","","","","","0.953","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204281","15.8792","0.0018","10.4601","0.0011","10.4395","0.0015","90","","106.856","0.01","90","","1659.5","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(3,5-di-tert-butyl-2-hydroxybenzylideneaminomethyl)benzene","","- C38 H52 N2 O2 -","- C38 H52 N2 O2 -","- C76 H104 N4 O4 -","2","0.5","BT6528","Tooke, Duncan M.; Song, Yufei; van Albada, Gerard A.; Reedijk, Jan; Spek, Anthony L.","1,4-Bis(3,5-di-<i>tert</i>-butyl-2-hydroxybenzylideneaminomethyl)benzene","Acta Crystallographica Section E","2004","60","10","o1907","o1908","10.1107/S1600536804023633","","","0.71073","MoKα","","0.0799","0.0468","","","0.1019","0.1149","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204282","8.267","0.0002","8.8246","0.0002","21.4946","0.0006","90","","92.213","0.0008","90","","1566.93","0.07","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","venlafaxine","1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","BT6529","Limor Tessler; Israel Goldberg","Venlafaxine, an antidepressant drug","Acta Crystallographica Section E","2004","60","10","o1868","o1869","10.1107/S1600536804023815","","","0.71073","MoKα","","0.063","0.0439","","","0.1091","0.1207","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204283","11.5582","0.001","12.6032","0.001","17.605","0.002","69.96","0.03","86.7","0.04","74.8","0.03","2323.5","0.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H47 D12 N2 O3 P Pt -","- C54 H47 D12 N2 O3 P Pt -","- C108 H94 D24 N4 O6 P2 Pt2 -","2","1","BV6000","Kooijman, Huub; Sprengers, Jeroen W.; Elsevier, Cornelis J.; Spek, Anthony L.","(1,3-Dimesityldihydroimidazol-2-ylidene)(2-peroxidopropan-2-olato-κ^2^<i>O,O</i>')(triphenylphosphine-κ<i>P</i>)platinum(II) benzene-<i>d</i>~6~ disolvate","Acta Crystallographica Section E","2004","60","10","m1456","m1458","10.1107/S1600536804022937","","","0.71073","MoKα","","0.0204","0.0177","","","0.0405","0.0413","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204284","13.485","0.003","15.107","0.003","6.515","0.0013","90","","90","","90","","1327.2","0.5","293","2","293","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- C11 H14 N4 O6 -","- C11 H14 N4 O6 -","- C44 H56 N16 O24 -","4","0.5","CF6364","Moghimi, S. Abolghasem; Sharif, Mahboubeh A.; Aghabozorg, Hossein","Creatininium dipicolinate monohydrate","Acta Crystallographica Section E","2004","60","10","o1790","o1792","10.1107/S1600536804022482","","","0.71073","MoKα","","0.1152","0.0483","","","0.1357","0.1624","","","","","","1.03","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2204285","11.1","0.002","7.994","0.002","13.895","0.002","90","","93","0.02","90","","1231.3","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R,4R,5S)-3,4-O-isopropylidene-2-methyl-6,9-diazo-1-oxaspiro -[4.5]-decane-7,10-dione","","- C11 H13 N2 O5 -","- C11 H13 N2 O5 -","- C44 H52 N8 O20 -","4","2","CF6370","David J. Watkin; Matthias Müller; Yves Blèriot; Michela I. Simone; George W. J. Fleet","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4-<i>O</i>-Isopropylidene-2-methyl-1-oxa-6,9-diazaspiro[4.5]decane-7,10-dione","Acta Crystallographica Section E","2004","60","10","o1820","o1822","10.1107/S1600536804022494","","","0.71069","MoKα","","0.0733","0.0733","","0.1392","0.1392","0.1392","","","","","","1.0722","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204286","10.46","0.01","17.79","0.02","12.04","0.01","90","","109.25","0.04","90","","2115","4","296.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H36 Cu2 N4 O12 -","- C48 H36 Cu2 N4 O12 -","- C96 H72 Cu4 N8 O24 -","2","0.5","CF6371","Wang, Yue; Okabe, Nobuo","Di-μ-salicylato-κ^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')copper(II)] bis(salicylic acid)","Acta Crystallographica Section E","2004","60","10","m1434","m1436","10.1107/S1600536804022615","","","0.7107","MoKα","","","0.044","","","","0.131","","","","","","0.854","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204287","22.8724","0.0005","17.0573","0.0004","11.6326","0.0003","90","","90","","90","","4538.36","0.19","120","2","120","2","","","","","","","","3","A b a 2","A 2 -2ab","41","Neophyltriphenylstannane","(2-Methyl-2-phenylpropyl)triphenylstannane","","- C28 H28 Sn -","- C28 H28 Sn -","- C224 H224 Sn8 -","8","","CF6377","Howie, R. Alan; Wardell, James L.","(2-Methyl-2-phenylpropyl)triphenylstannane","Acta Crystallographica Section E","2004","60","10","m1536","m1538","10.1107/S160053680402330X","","","0.71073","MoKα","","0.0298","0.0271","","","0.066","0.0672","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204288","7.8813","0.0006","16.355","0.001","17.228","0.001","117.131","0.001","95.273","0.001","93.091","0.001","1956.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Dichloro(4'-phenyl-2,2':6',2""-terpyridine-κ^3^N)zinc(II) hydrate","","- C21 H17 Cl2 N3 O Zn -","- C21 H17 Cl2 N3 O Zn -","- C84 H68 Cl8 N12 O4 Zn4 -","4","2","CI6424","Tu, Qi-Dong; Li, Dan; Wu, Tao; Yin, Ye-Gao; Ng, Seik Weng","Dichloro(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>)zinc(II) monohydrate","Acta Crystallographica Section E","2004","60","10","m1403","m1404","10.1107/S1600536804021853","","","0.71073","MoKα","","0.108","0.062","","","0.147","0.181","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204289","10.233","0.005","10.233","0.005","44.494","0.005","90","","90","","120","","4035","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","Bis(DL-methioninium) sulfate","Bis(DL-methioninium) sulfate","","- C10 H24 N2 O8 S3 -","- C10 H24 N2 O8 S3 -","- C90 H216 N18 O72 S27 -","9","0.5","CI6427","S. Ramaswamy; B. Sridhar; V. Ramakrishnan; R. K. Rajaram","Bis(<small>DL</small>-methioninium) sulfate","Acta Crystallographica Section E","2004","60","10","o1691","o1693","10.1107/S1600536804021324","","","0.71069","MoKα","","0.0719","0.0608","","","0.1685","0.178","","","","","","1.134","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204290","7.9391","0.0016","8.7838","0.0018","11.611","0.002","71.05","0.03","87.16","0.03","89.42","0.03","764.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-2-(Hydroximino)-3-methoxy-3-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin- 4-ium perchlorate","","- C13 H13 Cl N4 O6 -","- C13 H13 Cl N4 O6 -","- C26 H26 Cl2 N8 O12 -","2","1","CI6431","Anaflous, Abderahmane; Benchat, Nour-Eddine; Ben-Hadda, Taibi; El Bali, Brahim; Bolte, Michael","(2<i>Z</i>)-2-(<i>H</i>ydroximino)-3-methoxy-3-phenyl-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyrimidin-4-ium perchlorate","Acta Crystallographica Section E","2004","60","10","o1719","o1721","10.1107/S1600536804020549","","","0.71073","MoKα","","0.0571","0.0452","","","0.1226","0.1281","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204291","9.7428","0.0002","17.0689","0.0003","10.363","0.0002","90","","110.449","0.001","90","","1614.76","0.05","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triphenylgermanium azide","azidotriphenylgermane","","- C18 H15 Ge N3 -","- C18 H15 Ge N3 -","- C72 H60 Ge4 N12 -","4","1","CI6432","Wharf, Ivor; Bélanger-Gariépy, Francine","Azidotriphenylgermane","Acta Crystallographica Section E","2004","60","10","m1362","m1364","10.1107/S1600536804021221","","","1.54178","CuKα","","0.0343","0.0327","","","0.0994","0.1014","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204292","10.64","0.002","14.884","0.002","13.604","0.002","90","","91.15","0.01","90","","2154","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(4-Hydroxy-3-methyoxyphenyl)-3,3,6,6,10-pentamethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C25 H31 N O4 -","- C25 H31 N O4 -","- C100 H124 N4 O16 -","4","1","CI6434","Tu, Shu-Jiang; Zhang, Xiao-Jing; Zhu, Song-Lei","9-(4-Hydroxy-3-methyoxyphenyl)-3,3,6,6,10-pentamethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2004","60","10","o1870","o1872","10.1107/S1600536804023621","","","0.71073","MoKα","","0.0747","0.0422","","","0.0995","0.1081","","","","","","0.911","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204293","11.237","0.0013","18.256","0.002","10.4779","0.0012","90","","93.532","0.002","90","","2145.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(p-methoxyphenyl)-2,2'-(m-phenylenedioxy)diacetamide","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C96 H96 N8 O24 -","4","1","CI6436","Yong-Hong Wen; Shu-Sheng Zhang; Juan Liang; Xue-Mei Li","<i>N,N</i>'-Bis(<i>p</i>-methoxyphenyl)-2,2'-(<i>m</i>-phenylenedioxy)diacetamide","Acta Crystallographica Section E","2004","60","10","o1702","o1703","10.1107/S1600536804021440","","","0.71073","MoKα","","0.0907","0.0488","","","0.1028","0.1201","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204294","9.3027","0.0015","9.952","0.002","12.474","0.003","83.82","0.02","78.925","0.017","76.881","0.015","1101.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetato-κ^4^O:O'-tetracarbonylbis(pyridyl-2-yl-κN- amine)diruthenium(I)(Ru—Ru)","","- C18 H18 N4 O8 Ru2 -","- C18 H18 N4 O8 Ru2 -","- C36 H36 N8 O16 Ru4 -","2","1","CI6437","Reto Dorta; Georg Süss-Fink; Helen Stoeckli-Evans","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-tetracarbonylbis(pyridyl-2-yl-κ<i>N</i>-amine)diruthenium(I)(<i>Ru</i>—<i>Ru</i>)","Acta Crystallographica Section E","2004","60","10","m1397","m1399","10.1107/S160053680402166X","","","0.71073","MoKα","","0.0307","0.0252","","","0.0547","0.0581","","","","","","1.117","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204295","6.804","0.005","10.531","0.004","17.278","0.005","88.96","0.05","79.24","0.03","73.51","0.02","1165.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","{3-[4-(N,N-Dimethylamino)phenyl]-1-(4-methylphenyl)- 3-(phenylsulfanyl)propylidene}semicarbazide","","- C25 H28 N4 O S -","- C25 H28 N4 O S -","- C50 H56 N8 O2 S2 -","2","1","CI6438","Sivaperuman Saravanan; Shanmugam Muthusubramanian","{3-[4-(<i>N,N</i>-Dimethylamino)phenyl]-1-(4-methylphenyl)-3-(phenylsulfanyl)propylidene}semicarbazide","Acta Crystallographica Section E","2004","60","10","o1895","o1897","10.1107/S160053680402375X","","","0.71069","MoKα","","0.0553","0.0356","","","0.0915","0.1009","","","","","","1.025","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204296","9.156","0.006","7.233","0.005","11.516","0.007","90","","97.494","0.009","90","","756.1","0.9","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(4-nitrobenzylidene)ethane-1,2-diamine","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","0.5","CI6439","Sun, Yu-Xi; You, Zhong-Lu; Zhu, Hai-Liang","<i>N</i>,<i>N</i>'-Bis(4-nitrobenzylidene)ethane-1,2-diamine","Acta Crystallographica Section E","2004","60","10","o1707","o1708","10.1107/S1600536804021671","","","0.71073","MoKα","","0.1171","0.048","","","0.1205","0.1331","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204297","7.0847","0.0011","8.4733","0.0013","10.2291","0.0015","98.128","0.003","96.913","0.003","99.785","0.003","592.45","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5-Fluorouracil 1,4-dioxane (4/1)","","- C20 H20 F4 N8 O10 -","- C20 H20 F4 N8 O10 -","- C20 H20 F4 N8 O10 -","1","0.5","CI6440","Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil‒1,4-dioxane (4/1)","Acta Crystallographica Section E","2004","60","10","o1781","o1782","10.1107/S1600536804022251","","","0.71073","MoKα","","0.0723","0.0521","","","0.1053","0.1142","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204298","14.7361","0.0018","5.8693","0.0007","16.397","0.002","90","","100.524","0.002","90","","1394.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Fluorouracil Dimethylformamide (2/1)","","- C11 H13 F2 N5 O5 -","- C11 H13 F2 N5 O5 -","- C44 H52 F8 N20 O20 -","4","1","CI6441","Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil‒dimethylformamide (2/1)","Acta Crystallographica Section E","2004","60","10","o1783","o1785","10.1107/S1600536804022263","","","0.71073","MoKα","","0.0615","0.0485","","","0.1024","0.1081","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204299","9.8831","0.001","10.8128","0.0011","8.6842","0.0009","90","","107.397","0.002","90","","885.58","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Fluorouracil Dimethylsulfoxide (1/1)","","- C6 H9 F N2 O3 S -","- C6 H9 F N2 O3 S -","- C24 H36 F4 N8 O12 S4 -","4","1","CI6442","Hulme, Ashley T.; Tocher, Derek A.","5-Fluorouracil‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section E","2004","60","10","o1786","o1787","10.1107/S1600536804022275","","","0.71073","MoKα","","0.041","0.0363","","","0.0869","0.0899","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204300","12.72","0.004","9.81","0.003","21.71","0.007","90","","90","","90","","2709","1.5","298","2","298","2","","","","","","","","6","C m c a","-C 2ac 2","64","","Bis(2-aminopyridine-κN^1^)silver(I) perchlorate","","- C10 H12 Ag Cl N4 O4 -","- C10 H12 Ag Cl N4 O4 -","- C80 H96 Ag8 Cl8 N32 O32 -","8","","CI6443","Deng, Bing; Liu, Zhao-Di; Liu, Xiu-Ying; Tan, Min-Yu; Zhu, Hai-Liang","Bis(2-aminopyridine-κ<i>N</i>^1^)silver(I) perchlorate","Acta Crystallographica Section E","2004","60","10","m1444","m1446","10.1107/S1600536804022780","","","0.71073","MoKα","","0.0761","0.0552","","","0.147","0.174","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2204301","7.604","0.003","12.868","0.005","15.732","0.006","90","","93.765","0.007","90","","1536","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(3,5-dimethyl-1H-pyrazol-1-ylsulfonyl)-1-methyl-1H-pyrazole- 4-carboxylate","","- C12 H16 N4 O4 S -","- C12 H16 N4 O4 S -","- C48 H64 N16 O16 S4 -","4","1","CI6444","Xiao-Mao Zou; Huan-Le Shi; Li-Min Yu; Hua-Zheng Yang; Jiang Pei; Pei Liu","Ethyl 5-(3,5-dimethyl-1<i>H</i>-pyrazol-1-ylsulfonyl)-1-methyl-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2004","60","10","o1812","o1813","10.1107/S1600536804022792","","","0.71073","MoKα","","0.0976","0.05","","","0.1064","0.1238","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204302","10.738","0.008","10.608","0.008","11.623","0.008","90","","111.442","0.012","90","","1232.3","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(1-Cyano-1,2-dimethylpropyl)-5-methylisoxazole-4-carboxamide","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C44 H60 N12 O8 -","4","1","CI6445","Bin Zhong; Xiao-Li Mu; Zheng-Ming Li; Hai-Bin Song","<i>N</i>-(1-Cyano-1,2-dimethylpropyl)-5-methylisoxazole-4-carboxamide","Acta Crystallographica Section E","2004","60","10","o1797","o1799","10.1107/S1600536804022743","","","0.71073","MoKα","","0.0948","0.056","","","0.1265","0.1444","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204303","7.4152","0.0019","24.532","0.006","8.739","0.002","90","","113.576","0.004","90","","1457","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Fluoro-2-hydroxyphenyl)ethanone 4-nitrobenzoylhydrazone","","- C15 H12 F N3 O4 -","- C15 H12 F N3 O4 -","- C60 H48 F4 N12 O16 -","4","1","CI6446","Ali, Hapipah.; Khamis, Nur Ashikin; Yamin, Bohari M.","1-(4-Fluoro-2-hydroxyphenyl)ethanone 4-nitrobenzoylhydrazone","Acta Crystallographica Section E","2004","60","10","o1873","o1874","10.1107/S1600536804023657","","","0.71073","MoKα","","0.0808","0.0674","","","0.1613","0.1699","","","","","","1.145","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204304","22.6083","0.0017","6.2232","0.0005","20.0394","0.0015","90","","90","","90","","2819.5","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis(hydrogen 5-nitroisophthalato)(1,10-phenanthroline)lead(II) monohydrate","","- C28 H18 N4 O13 Pb -","- C28 H18 N4 O13 Pb -","- C112 H72 N16 O52 Pb4 -","4","0.5","CI6449","Hong-Ping Xiao; Ji-Xin Yuan","Bis(hydrogen 5-nitroisophthalato)(1,10-phenanthroline)lead(II) monohydrate","Acta Crystallographica Section E","2004","60","10","m1501","m1503","10.1107/S1600536804023189","","","0.71073","MoKα","","0.0295","0.021","","","0.051","0.0539","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204305","6.731","0.003","6.882","0.003","11.508","0.005","88.62","0.006","89.988","0.005","88.106","0.006","532.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N-(p-Nitrophenyl)-N'-acteyl-ethylenediamine","N-[2-(4-Nitrophenylamino)ethyl]acetamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","CI6451","Wang, Zhi-Jun; Li, Dong-Hong; Huang, Shu-Ping; Yang, Bin-Sheng","<i>N</i>-[2-(4-Nitrophenylamino)ethyl]acetamide","Acta Crystallographica Section E","2004","60","10","o1875","o1876","10.1107/S1600536804023372","","","0.71073","MoKα","","0.0893","0.0587","","","0.1316","0.147","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204306","5.7387","0.0005","23.842","0.003","10.3045","0.0009","90","","104.655","0.007","90","","1364","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Benzyl-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","1","CI6452","Dege, Necmi; Çetin, Ahmet; Cansız, Ahmet; Şekerci, Memet; Cavit, Kazaz; Dinçer, Muharrem; Büyükgüngör, Orhan","4-Benzyl-3-(2-hydroxyphenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","10","o1883","o1885","10.1107/S1600536804023682","","","0.71073","MoKα","","0.0667","0.0435","","","0.1014","0.1087","","","","","","0.87","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204307","7.63122","0.00017","13.6673","0.0003","15.8058","0.0005","84.385","0.002","87.4653","0.0019","75.7135","0.0013","1589.52","0.07","295","","295","","","","","","","","","5","P -1","-P 1","2","","N-[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]- 3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylaminium benzoate","","- C33 H36 N2 O7 S2 -","- C33 H36 N2 O7 S2 -","- C66 H72 N4 O14 S4 -","2","1","CV6353","Johnston, Andrea; Florence, Alastair J.; Shankland, Kenneth; Markvardsen, Anders; Shankland, Norman; Steele, Gerald; Cosgrove, Stephen D.","Powder study of <i>N</i>-[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]-3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylaminium benzoate","Acta Crystallographica Section E","2004","60","10","o1751","o1753","10.1107/S1600536804021105","","","1.54056","CuKα~1~","","","","","","","","","","1.6","","","","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204308","7.29","0.002","22.131","0.007","9.513","0.003","90","","90.115","0.005","90","","1534.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3-Dimethyl-7-phenyl-2-oxa-1,4-dithia-5,6,8,9-tetraaza-3H-cyclopenta[f]azulene 1,1-dioxide","","- C14 H12 N4 O3 S2 -","- C14 H12 N4 O3 S2 -","- C56 H48 N16 O12 S8 -","4","1","CV6357","Li Tian; Lun-Zu Liu","3,3-Dimethyl-7-phenyl-2-oxa-1,4-dithia-5,6,8,9-tetraaza-3<i>H</i>-cyclopenta[<i>f</i>]azulene 1,1-dioxide","Acta Crystallographica Section E","2004","60","10","o1826","o1827","10.1107/S1600536804021385","","","0.71073","MoKα","","0.0892","0.0557","","","0.1183","0.1323","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204309","11.22","0.002","12.26","0.003","17.762","0.004","71.06","0.03","86.35","0.03","85.19","0.03","2301.1","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3-dimethylamino-2-{2-[2-(dimethylamino)-1-(3-phenyl-1,2,4-oxadiazol-5- yl)vinyloxy]phenyl}acrylate","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C96 H104 N16 O16 -","4","2","CV6361","Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang","Methyl 3-dimethylamino-2-{2-[2-(dimethylamino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)vinyloxy]phenyl}acrylate","Acta Crystallographica Section E","2004","60","10","o1709","o1711","10.1107/S1600536804021610","","","0.71073","MoKα","","0.1466","0.073","","","0.218","0.2585","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204310","11.3384","0.0013","13.6971","0.0009","16.4806","0.0011","104.434","0.001","99.374","0.001","100.11","0.001","2382.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(2,2'-bipyridine)hexakis-μ-methacrylato-nitratocerium(III)dizinc(II)","","- C44 H46 Ce N5 O15 Zn2 -","- C44 H46 Ce N5 O15 Zn2 -","- C88 H92 Ce2 N10 O30 Zn4 -","2","1","CV6363","Wu, Bin; Guo, Yongsheng","A trinuclear zinc‒cerium complex: [CeZn~2~{CH~2~C(CH~3~)COO}~6~(NO~3~)(2,2'-bipyridine)~2~]","Acta Crystallographica Section E","2004","60","10","m1356","m1358","10.1107/S1600536804020690","","","0.71069","MoKα","","0.0315","0.0237","","","0.0508","0.0532","","","","","","1.063","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204311","9.4057","0.0019","13.593","0.002","14.982","0.003","90","","91.367","0.016","90","","1914.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-n-butylammonium hexafluorophosphate","","- C16 H36 F6 N P -","- C16 H36 F6 N P -","- C64 H144 F24 N4 P4 -","4","1","CV6366","Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael","Tetra-<i>n</i>-butylammonium hexafluorophosphate","Acta Crystallographica Section E","2004","60","10","o1680","o1681","10.1107/S1600536804021300","","","0.71073","MoKα","","0.1072","0.057","","","0.1402","0.1594","","","","","","0.911","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204312","10.69","0.0008","11.7225","0.0008","20.2272","0.0013","90.196","0.002","101.945","0.002","103.992","0.002","2402.5","0.3","164","2","164","2","","","","","","","","4","P -1","-P 1","2","","μ~2~-Oxo-di[bis(η^5^-1,3-di(tert-butyl)cyclopentadienyl)titanium(III)]","","- C52 H84 O Ti2 -","- C52 H84 O Ti2 -","- C104 H168 O2 Ti4 -","2","1","CV6367","Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","μ~2~-Oxo-bis[bis(η^5^-1,3-di-<i>tert</i>-butylcyclopentadienyl)titanium(III)]","Acta Crystallographica Section E","2004","60","10","m1417","m1419","10.1107/S1600536804021968","","","0.71073","MoKα","","0.1072","0.0646","","","0.1613","0.1743","","","","","","0.993","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204313","12.7018","0.0012","7.3602","0.0007","17.3967","0.0017","90","","92.612","0.002","90","","1624.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(3-Hydroxypropyl)-6-(4-methylphenyl)-7H-1,2,4-triazolo [3,4-b][1,3,4]thiadiazine dihydrate","","- C14 H20 N4 O3 S -","- C14 H20 N4 O3 S -","- C56 H80 N16 O12 S4 -","4","1","CV6368","Zou, Kai-Huang; Cai, Xiao-Qing; Chen, Jiu-Xi; Zhang, Li-Xue; Zhang, An-Jiang; Hu, Mao-Lin","3-(3-Hydroxypropyl)-6-(4-methylphenyl)-7H-1,2,4-triazolo- [3,4-b][1,3,4]thiadiazine dihydrate","Acta Crystallographica, Section E","2004","60","10","m1736","m1738","10.1107/S160053680402197X","","","0.71073","MoKα","","0.097","0.0715","","","0.1453","0.157","","","","","","1.146","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204314","7.416","0.003","14.319","0.006","18.883","0.007","101.449","0.009","93","0.01","104.107","0.008","1895.3","1.3","150.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H60 Ag2 F12 N8 O12 S4 -","- C72 H60 Ag2 F12 N8 O12 S4 -","- C72 H60 Ag2 F12 N8 O12 S4 -","1","0.5","CV6369","Liu, Shu Qin; Konaka, Hisashi; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Suenaga, Yusaku; Ning, Gui Ling; Munakata, Megumu","<i>catena</i>-Poly[[[diacetonitrilesilver(I)]-μ-2,11-dithia[3.3]paracyclophane-κ^2^<i>S</i>:<i>S</i>'] tetrafluoroterephthalate tetrafluoroterephthalic acid acetonitrile tetrasolvate]","Acta Crystallographica Section E","2004","60","10","m1504","m1506","10.1107/S160053680402238X","","","0.7107","MoKα","","","0.0329","","","","0.0728","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204315","8.31","0.001","15.132","0.001","15.414","0.001","90","","90.79","0.01","90","","1938.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ZD4054 Form 1","N-(3-Methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2- yl)phenyl]pyridine-3-sulfonamide","","- C19 H16 N6 O4 S -","- C19 H16 N6 O4 S -","- C76 H64 N24 O16 S4 -","4","1","CV6370","Stensland, Birgitta; Roberts, Ron J.","<i>N</i>-(3-Methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide (ZD4054 Form 1)","Acta Crystallographica Section E","2004","60","10","o1817","o1819","10.1107/S1600536804022822","","","0.71073","MoKα","","0.0989","0.0467","","","0.1066","0.1267","","","","","","0.973","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204316","8.8789","0.0009","12.689","0.0013","19.506","0.002","90","","90","","90","","2197.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Benzaldehyde 1-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)thiosemicarbazone","","- C19 H23 N3 O7 S -","- C19 H23 N3 O7 S -","- C76 H92 N12 O28 S4 -","4","1","CV6371","Bo Yang; Shu-Sheng Zhang; Yan-Fang Wang; Xue-Mei Li; Kui Jiao; M. Kassim; Yamin, Bohari M.","Benzaldehyde 1-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)thiosemicarbazone","Acta Crystallographica Section E","2004","60","10","o1902","o1904","10.1107/S1600536804023542","","","0.71073","MoKα","","0.057","0.0521","","","0.1125","0.1149","","","","","","1.199","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204317","9.846","0.002","10.41","0.002","12.253","0.003","79.99","0.04","85.74","0.04","62.49","0.03","1096.9","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","(5-Bromo-2-oxidoacetophenone 4-chlorobenzoylhydrazido)(triethylamine)nickel(II)","","- C21 H25 Br Cl N3 Ni O2 -","- C21 H25 Br Cl N3 Ni O2 -","- C42 H50 Br2 Cl2 N6 Ni2 O4 -","2","1","CV6372","Ali, Hapipah; Khamis, Nur Ashikin; Yamin, Bohari M.","(5-Bromo-2-oxidoacetophenone 4-chlorobenzoylhydrazido)(triethylamine)nickel(II)","Acta Crystallographica Section E","2004","60","10","m1525","m1526","10.1107/S1600536804023554","","","0.71073","MoKα","","0.0342","0.0287","","","0.0788","0.0825","","","","","","1.049","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204318","17.985","0.003","9.529","0.003","13.154","0.004","90","","99.63","0.02","90","","2222.6","1","297","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","CV6373","Ohba, Shigeru; Yohei, Yamamoto; Tanaka, Koichi","(2<i>RS</i>,3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,3'<i>RS</i>)-2-(2',3'-Dihydro-1'-hydroxy-3'-phenyl-1<i>H</i>-inden-2'-yl)-2,3-dihydro-3-phenylinden-1-one: isomer (I)","Acta Crystallographica Section E","2004","60","10","o1793","o1794","10.1107/S1600536804022457","","","0.71073","MoKα","","","0.0543","","","","0.1668","","","","","","1.006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204319","14.883","0.004","11.29","0.005","13.418","0.004","90","","100.52","0.02","90","","2216.7","1.3","300","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","CV6374","Ohba, Shigeru; Yohei, Yamamoto; Tanaka, Koichi","(2<i>SR</i>,3<i>RS</i>,1'<i>SR</i>,2'<i>SR</i>,3'<i>RS</i>)-2-(2',3'-Dihydro-1'-hydroxy-3'-phenyl-1<i>H</i>-inden-2'-yl)-2,3-dihydro-3-phenylinden-1-one: isomer (II)","Acta Crystallographica Section E","2004","60","10","o1795","o1796","10.1107/S1600536804022445","","","0.71073","MoKα","","","0.0572","","","","0.1697","","","","","","0.922","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204320","12.378","0.001","14.77","0.001","13.3291","0.0007","90","","99.073","0.004","90","","2406.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Acetato-κO)[butane-2,3-dione monooxime benzoylhydrazonato-κ^3^O,N^2^,O']bis(pyridine-κN)nickel(II)","","- C23 H25 N5 Ni O4 -","- C23 H25 N5 Ni O4 -","- C92 H100 N20 Ni4 O16 -","4","1","CV6375","Huo, Li-Hua; Lu, Zhen-Zhong; Gao, Shan; Zhao, Hui","(Acetato-κ<i>O</i>)[butane-2,3-dione monooxime benzoylhydrazonato-κ^3^<i>O</i>,<i>N</i>^2^,<i>O</i>']bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2004","60","10","m1450","m1452","10.1107/S1600536804022767","","","0.71073","MoKα","","0.049","0.038","","","0.083","0.087","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204321","7.2751","0.001","10.4797","0.0014","12.7575","0.0017","97.482","0.002","92.284","0.002","101.475","0.002","942.9","0.2","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-5-hydroxyisophthalato-bis[aqua(1,10-phenanthroline)copper(II)] trihydrate","","- C40 H34 Cu2 N4 O15 -","- C40 H34 Cu2 N4 O15 -","- C40 H34 Cu2 N4 O15 -","1","0.5","CV6376","Hong-Ping Xiao; Qian Shi; Ming-De Ye","Di-μ-5-hydroxyisophthalato-bis[aqua(1,10-phenanthroline)copper(II)] trihydrate","Acta Crystallographica Section E","2004","60","10","m1498","m1500","10.1107/S1600536804023190","","","0.71073","MoKα","","0.0845","0.0838","","","0.172","0.1724","","","","","","1.336","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204322","10.5099","0.0013","12.1597","0.0014","12.5348","0.0014","72.798","0.003","84.99","0.002","77.968","0.003","1496.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Chlorobis(1,10-phenanthroline)copper(II) 5-nitroisophthalate(1-) dihydrate","","- C32 H24 Cl Cu N5 O8 -","- C32 H24 Cl Cu N5 O8 -","- C64 H48 Cl2 Cu2 N10 O16 -","2","1","CV6377","Ming-De Ye; Hong-Ping Xiao; Mao-Lin Hu","Chlorobis(1,10-phenanthroline)copper(II) 5-nitroisophthalate(1‒) dihydrate","Acta Crystallographica Section E","2004","60","10","m1516","m1518","10.1107/S1600536804023608","","","0.71073","MoKα","","0.1737","0.1028","","","0.1716","0.2036","","","","","","1.082","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204323","5.6745","0.0003","8.1082","0.0003","12.8399","0.0006","76.7284","0.0015","88.139","0.002","86.3319","0.0013","573.71","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(1H-imidazole-κN^3^)bis(nitrobenzoato-κO)manganese(II)","","- C20 H20 Mn N6 O10 -","- C20 H20 Mn N6 O10 -","- C20 H20 Mn N6 O10 -","1","0.5","CV6378","Tu-Gen Xu; Duan-Jun Xu","Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrobenzoato-κ<i>O</i>)manganese(II)","Acta Crystallographica Section E","2004","60","10","m1462","m1464","10.1107/S1600536804022998","","","0.71073","MoKα","","0.033","0.031","","","0.08","0.082","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204324","7.244","0.007","8.014","0.008","13.654","0.013","91.218","0.015","101.586","0.015","108.01","0.014","735.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,6-Difluorobenzoyl)-3-(4-trifluoromethylphenyl)urea","","- C15 H9 F5 N2 O2 -","- C15 H9 F5 N2 O2 -","- C30 H18 F10 N4 O4 -","2","1","CV6379","Chen, Li; Song, Hai-Bin; Wang, Qing-Min; Huang, Run-Qiu; Shang, Jian; Mao, Chun-Hui","1-(2,6-Difluorobenzoyl)-3-[4-(trifluoromethyl)phenyl]urea","Acta Crystallographica Section E","2004","60","10","o1865","o1867","10.1107/S1600536804023207","","","0.71073","MoKα","","0.1367","0.0537","","","0.1155","0.1437","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204325","9.574","0.002","10.778","0.006","17.461","0.005","90","","90","","90","","1801.8","1.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","9-Dicyanomethylene-4,5-dinitrofluorene-2,7-disulfonamide","","- C16 H8 N6 O8 S2 -","- C16 H8 N6 O8 S2 -","- C64 H32 N24 O32 S8 -","4","1","CV6380","Batsanov, Andrei S.; Perepichka, Igor F.","9-Dicyanomethylene-4,5-dinitrofluorene-2,7-disulfonamide","Acta Crystallographica Section E","2004","60","10","o1892","o1894","10.1107/S160053680402361X","","","1.54178","CuKα","","0.0493","0.0414","","","0.1012","0.1056","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204326","10.416","0.0005","11.4284","0.0006","14.0585","0.001","75.322","0.004","81.118","0.004","64.06","0.004","1453.96","0.16","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","(2,2'-bipyridyl)-diaqua-tris(nitrato-O,O')-praseodymium(III) bipyridyl 1.5 solvate","","- C50 H48 N16 O22 Pr2 -","- C50 H48 N16 O22 Pr2 -","- C50 H48 N16 O22 Pr2 -","1","0.5","DN6155","Charushnikova, Iraida A.; Den Auwer, Christophe","Diaqua(2,2'-bipyridyl)tris(nitrato-κ^2^<i>O,O</i>')praseodymium(III) 2,2'-bipyridyl sesquisolvate","Acta Crystallographica Section E","2004","60","10","m1420","m1421","10.1107/S1600536804021920","","","0.71073","MoKα","","0.0419","0.0375","","","0.0819","0.0845","","","","","","1.078","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2204327","6.325","0.0019","15.945","0.005","11.995","0.004","90","","90.645","0.005","90","","1209.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[N,N'-dimethylethylenediamine(salicylaldehyde)]oxovanadium(V)","{2-[2-(N,N'-dimethylamino)ethyliminomethyl]phenolato- κ^3^N,N',O}dioxovanadium(V)","","- C11 H15 N2 O3 V -","- C11 H15 N2 O3 V -","- C44 H60 N8 O12 V4 -","4","1","DN6156","Ming-Jin, Xie; Shi Ping, Yan; Dai Zheng, Liao; Zong Hui, Jian; Peng, Chen","{2-[2-(<i>N</i>,<i>N</i>'-Dimethylamino)ethyliminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}dioxovanadium(V)","Acta Crystallographica Section E","2004","60","10","m1382","m1383","10.1107/S1600536804019324","","","0.71073","MoKα","","0.0461","0.0339","","","0.0908","0.0978","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204328","9.325","0.003","12.312","0.004","12.829","0.004","78.464","0.005","72.067","0.006","85.072","0.006","1372.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[N,N'-bis(4-hydroxysalicylidene)-o-phenylenediamine]oxovanadium(IV) bis(dimethyl sulfoxide) dihydrate","","- C24 H30 N2 O9 S2 V -","- C24 H30 N2 O9 S2 V -","- C48 H60 N4 O18 S4 V2 -","2","1","DN6157","Xie, Ming-Jin; Yan, Shi-Ping; Liao, Dai-Zheng; Jian, Zhong-Hui; Chen, Peng","A new Schiff base oxovanadium (IV) complex: [<i>N</i>,<i>N</i>'-bis(4-hydroxysalicylidene)-<i>o</i>-phenylenediamine]oxovanadium(IV) bis(dimethyl sulfoxide) dihydrate","Acta Crystallographica Section E","2004","60","10","m1530","m1532","10.1107/S160053680402210X","","","0.71073","MoKα","","0.1314","0.0608","","","0.1138","0.1364","","","","","","1.001","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204329","13.248","0.003","8.5327","0.0017","19.858","0.004","90","","90","","90","","2244.8","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(μ-acetato-κ~2~O:O')bis[(3-hydroxypyridine-κN)copper]","","- C18 H22 Cu2 N2 O10 -","- C18 H22 Cu2 N2 O10 -","- C72 H88 Cu8 N8 O40 -","4","0.5","DN6158","Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui","Tetr-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(3-hydroxypyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2004","60","10","m1405","m1407","10.1107/S1600536804021993","","","0.71073","MoKα","","0.0694","0.0431","","","0.0871","0.0952","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204330","4.9243","0.001","5.7865","0.0012","11.843","0.002","92.21","0.03","95.08","0.03","96.86","0.03","333.32","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[tetraaquazinc(II)-μ-benzene-1,4-dioxyacetato-κ^2^O,O']","","- C10 H16 O10 Zn -","- C10 H16 O10 Zn -","- C10 H16 O10 Zn -","1","0.5","DN6159","Liu, Ji-Wei; Gao, Shan; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","<i>catena</i>-Poly[tetraaquazinc(II)-μ-benzene-1,4-dioxyacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","10","m1408","m1410","10.1107/S1600536804022007","","","0.71073","MoKα","","0.035","0.034","","","0.09","0.09","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204331","15.701","0.003","7.611","0.0015","18.606","0.004","90","","90","","90","","2223.4","0.8","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Dichlorotetrakis(3-hydroxypyridine-κN)nickel(II)","","- C20 H20 Cl2 N4 Ni O4 -","- C20 H20 Cl2 N4 Ni O4 -","- C80 H80 Cl8 N16 Ni4 O16 -","4","0.5","ER6000","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Lu, Zhen-Zhong; Zhao, Hui","Dichlorotetrakis(3-hydroxypyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2004","60","10","m1367","m1369","10.1107/S1600536804021245","","","0.71073","MoKα","","0.0683","0.0474","","","0.0978","0.1052","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204332","9.1633","0.0018","11.836","0.002","13.911","0.003","90","","98.4","0.03","90","","1492.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-4,4-bis(methylsulfanyl)-1,3-butadiene-1,1-dicarbonitrile","","- C14 H11 Cl N2 S2 -","- C14 H11 Cl N2 S2 -","- C56 H44 Cl4 N8 S8 -","4","1","ER6001","Homrighausen, Craig L.; Krause Bauer, Jeanette A.","2-(4-Chlorophenyl)-4,4-bis(methylsulfanyl)-1,3-butadiene-1,1-dicarbonitrile","Acta Crystallographica Section E","2004","60","10","o1828","o1829","10.1107/S1600536804022986","","","0.71073","MoKα","","0.078","0.043","","","0.088","0.102","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204333","5.3822","0.0004","23.221","0.002","16.579","0.002","90","","94.695","0.007","90","","2065.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-valine DL-valinium picrate","DL-valine DL-valinium picrate","","- C16 H25 N5 O11 -","- C16 H25 N5 O11 -","- C64 H100 N20 O44 -","4","1","FL6114","K. Anitha; S. Annavenus; B. Sridhar; R. K. Rajaram","<small>DL</small>-Valine <small>DL</small>-valinium picrate","Acta Crystallographica Section E","2004","60","10","o1722","o1724","10.1107/S1600536804021877","","","0.71073","MoKα","","0.1219","0.0584","","","0.1492","0.1811","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204334","6.6151","0.0008","10.3964","0.0012","13.9546","0.0017","90","","90","","90","","959.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(1S,2S,3S,4R,5R)-1-Ammonio-5-hydroxymethylcyclohexane-2,3,4-triol chloride","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C28 H64 Cl4 N4 O16 -","4","1","FL6115","Hongjie Chang; Jiarong Zhu; Xiaolong Feng; Huaidong Xu","(+)-(1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-1-Ammonio-5-hydroxymethylcyclohexane-2,3,4-triol chloride","Acta Crystallographica Section E","2004","60","10","o1712","o1714","10.1107/S1600536804020902","","","0.71073","MoKα","","0.0488","0.0471","","","0.1236","0.1242","","","","","","1.308","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204335","4.9207","0.0005","10.5041","0.001","20.357","0.002","90","","100.293","0.008","90","","1035.27","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1-(1-hydroxynaphthalene-2-yl)ethanone","","- C12 H9 Br O2 -","- C12 H9 Br O2 -","- C48 H36 Br4 O8 -","4","1","FL6117","Yavuz Köysal; Şamil Işık; Arzu Karakurt; Sevim Dalkara","2-Bromo-1-(1-hydroxynaphthalen-2-yl)ethanone","Acta Crystallographica Section E","2004","60","10","o1730","o1732","10.1107/S1600536804021889","","","0.71073","MoKα","","0.1372","0.0515","","","0.1182","0.1351","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204336","12.547","0.002","14.366","0.002","9.353","0.002","90","","100.18","0.03","90","","1659.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diphenyl-p-methoxybenzamidine","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","FL6118","Bortoluzzi, Adailton J.; Echevarria, Aurea; Rodrigues-Santos, Claudio E.","4-Methoxy-<i>N</i>,<i>N</i>'-diphenylbenzamidine","Acta Crystallographica Section E","2004","60","10","o1837","o1839","10.1107/S1600536804021890","","","0.71073","MoKα","","0.1086","0.0433","","","0.1053","0.1256","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204337","6.6874","0.0002","16.5431","0.0005","16.7931","0.0005","90","","97.363","0.001","90","","1842.51","0.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 O3 S -","- C18 H24 N4 O3 S -","- C72 H96 N16 O12 S4 -","4","1","GH6000","Fettinger, James C.; Wu, Anxin; Isaacs, Lyle","A DMSO-capped dimeric glycoluril derivative","Acta Crystallographica Section E","2004","60","10","o1814","o1816","10.1107/S1600536804022834","","","0.71073","MoKα","","0.0483","0.0412","","","0.1169","0.1228","","","","","","1.108","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204338","12.873","0.011","6.777","0.006","27.28","0.02","90","","94.393","0.012","90","","2373","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentaaquaoxovanadium(IV) bis(sulfosalicylate) dihydrate","","- C14 H24 O20 S2 V -","- C14 H24 O20 S2 V -","- C56 H96 O80 S8 V4 -","4","1","HB6072","Lianzhi Li; Tao Xu; Daqi Wang; Meiju Niu","Pentaaquaoxovanadium(IV) bis(sulfonatosalicylic acid) dihydrate","Acta Crystallographica Section E","2004","60","10","m1374","m1375","10.1107/S1600536804021294","","","0.71073","MoKα","","0.0559","0.0331","","","0.0653","0.0717","","","","","","0.901","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204339","14.594","0.003","7.889","0.002","19.811","0.004","90","","102.64","0.008","90","","2225.6","0.9","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,6-Bis(1H-benzimidazol-2-yl)pyridine]dichlorozinc(II) N,N-dimethylformamide solvate","","- C22 H20 Cl2 N6 O Zn -","- C22 H20 Cl2 N6 O Zn -","- C88 H80 Cl8 N24 O4 Zn4 -","4","1","HB6080","Chen, Tsun-Ren","[2,6-Bis(1<i>H</i>-benzimidazol-2-yl)pyridine]dichlorozinc(II) <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2004","60","10","m1544","m1546","10.1107/S1600536804024079","","","0.71073","MoKα","","0.0857","0.0497","","","0.1109","0.1257","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204340","13.261","0.003","21.51","0.004","13.978","0.003","90","","95.3","0.03","90","","3970.1","1.5","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 Cl2 N P2 Pd -","- C45 H41 Cl2 N P2 Pd -","- C180 H164 Cl8 N4 P8 Pd4 -","4","1","HB6085","Pretorius, Marié; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred","Dichloro({<i>N</i>-[2-(diphenylphosphino-κ<i>P</i>)benzyl]benzylamino}diphenylphosphine-κ<i>P</i>)palladium(II) toluene solvate","Acta Crystallographica Section E","2004","60","10","m1439","m1441","10.1107/S1600536804022214","","","0.71073","MoKα","","","0.041","","","","0.088","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204341","13.1456","0.0004","17.1448","0.0006","13.3802","0.0006","90","","101.07","0.002","90","","2959.5","0.19","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(tetrabutyldiphenoxydistannoxane)","di-μ-(phenoxy)-1:2κ^2^O;-3:4κ^2^O-diphenoxy-1κO,4κO-octabutyl-1κ^2^C, 2κ^2^C,3κ^2^C,4κ^2^C-di-μ~3~-oxo-1:2:3κ^3^O;2:3:4κ^2^O-tetratin(IV)","","- C56 H92 O6 Sn4 -","- C56 H92 O6 Sn4 -","- C112 H184 O12 Sn8 -","2","1","HB6086","Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Jurkschat, Klaus; Schürmann, Markus","Octabutyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxo-1:2:3κ^3^<i>O</i>;2:3:4κ^2^<i>O</i>-di-μ~2~-phenoxy-1:2κ^2^<i>O</i>;3:4κ^2^<i>O</i>-diphenoxy-1κ<i>O</i>,4κ<i>O</i>-tetratin(IV)","Acta Crystallographica Section E","2004","60","10","m1437","m1438","10.1107/S1600536804022585","","","0.71073","MoKα","","0.0387","0.0255","","","0.043","0.0443","","","","","","0.871","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204342","17.259","0.006","7.249","0.003","8.03","0.003","90","","114.002","0.005","90","","917.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","catena-Poly[[bis(1H-1,2,3-benzotriazole\-kN^3^)cobalt(II)]-di-μ-dicyanamido- κ^4^N^1^:N^3^]","","- C16 H10 Co N12 -","- C16 H10 Co N12 -","- C32 H20 Co2 N24 -","2","0.25","HB6087","Jun Luo; Bao-Shu Liu; Xi-Geng Zhou; Lin-Hong Weng; Yan-Rong Li; Rui-Fang Cai","<i>catena</i>-Poly[[bis(1<i>H</i>-1,2,3-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2004","60","10","m1391","m1393","10.1107/S1600536804021683","","","0.71073","MoKα","","0.0783","0.0543","","","0.1005","0.1092","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204343","8.0562","0.0018","8.2506","0.0018","14.253","0.003","96.313","0.003","91.631","0.003","103.402","0.003","914.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","catena-poly[bis[cobalt(II)-2,5-bis(4-pyridyl) -1,3,4-thiadiazole](tetravanadate)(hexahydrate)]","","- C12 H14 Co N4 O9 S V2 -","- C12 H14 Co N4 O9 S V2 -","- C24 H28 Co2 N8 O18 S2 V4 -","2","1","HB6090","Zhang, Xian-Ming","<i>catena</i>-Poly[[bis[triaqua[2,5-bis(4-pyridyl)-1,3,4-thiadiazole]cobalt(II)]]-μ~4~-tetravanadato]","Acta Crystallographica Section E","2004","60","10","m1411","m1413","10.1107/S1600536804022111","","","0.71073","MoKα","","0.0458","0.0389","","","0.0903","0.0942","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204344","7.1804","0.0009","9.8372","0.0012","12.6069","0.0015","81.478","0.002","86.528","0.002","89.76","0.002","879.03","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(oxydiacetato-κ^3^O,O',O'')cadmium(II) trihydrate","","- C10 H18 Cd N4 O9 S2 -","- C10 H18 Cd N4 O9 S2 -","- C20 H36 Cd2 N8 O18 S4 -","2","1","HB6091","Bing-Xin Liu; Yi-Guang Tian; Duan-Jun Xu","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(oxydiacetato-κ^3^<i>O,O</i>',<i>O</i>'')cadmium(II) trihydrate","Acta Crystallographica Section E","2004","60","10","m1453","m1455","10.1107/S1600536804022809","","","0.71073","MoKα","","0.035","0.031","","","0.069","0.071","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204345","5.2986","0.0007","7.4809","0.001","10.4575","0.0015","69.184","0.01","81.385","0.011","75.485","0.011","374.25","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H22 O6 Zn -","- C12 H22 O6 Zn -","- C12 H22 O6 Zn -","1","0.5","HB6092","Lerner, Hans-Wolfram; Bolte, Michael","Bis(acetylacetonato)dimethanolzinc(II)","Acta Crystallographica Section E","2004","60","10","m1468","m1469","10.1107/S1600536804022378","","","0.71073","MoKα","","0.0255","0.0248","","","0.0684","0.0688","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204346","7.5958","0.0003","13.433","0.0003","18.588","0.0004","90","","94.973","0.003","90","","1889.48","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Benzoylacetone (4-methoxybenzoyl)hydrazonato-κ^3^O,N^2^,O']dichloroiron(III)","","- C18 H17 Cl2 Fe N2 O3 -","- C18 H17 Cl2 Fe N2 O3 -","- C72 H68 Cl8 Fe4 N8 O12 -","4","1","HB6093","Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui","[Benzoylacetone (4-methoxybenzoyl)hydrazonato-κ^3^<i>O,N</i>^2^,<i>O</i>']dichloroiron(III)","Acta Crystallographica Section E","2004","60","10","m1447","m1449","10.1107/S1600536804022755","","","0.71073","MoKα","","0.0582","0.0417","","","0.0935","0.0995","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204347","3.9732","0.0005","3.9732","0.0005","15.028","0.003","90","","90","","120","","205.45","0.05","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","β-Strontium cyanamide","","- C N2 Sr -","- C N2 Sr -","- C3 N6 Sr3 -","3","0.0833333","HB6095","Liao, Wuping; Dronskowski, Richard","β-Strontium carbodiimide","Acta Crystallographica Section E","2004","60","10","i124","i126","10.1107/S1600536804023244","","","0.71073","MoKα","","0.0174","0.0174","","","0.0408","0.0408","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204348","8.181","0.008","8.747","0.004","8.921","0.007","80.35","0.01","74.64","0.01","73.48","0.01","587.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[silver(I)-μ-4,4'-bipyridine-κ^2^N:N'] perchlorate]","","- C10 H8 Ag Cl N2 O4 -","- C10 H8 Ag Cl N2 O4 -","- C20 H16 Ag2 Cl2 N4 O8 -","2","1","HB6096","Wang, Li-Shi; Zhang, Jin-Feng; Yang, Shi-Ping","<i>catena</i>-Poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] perchlorate]","Acta Crystallographica Section E","2004","60","10","m1484","m1486","10.1107/S1600536804023141","","","0.71073","MoKα","","0.0573","0.0452","","","0.1237","0.133","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204349","12.396","0.007","13.022","0.007","15.148","0.008","90","","107.478","0.01","90","","2332","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrapyridinedithiocyanatozinc(II)","","- C22 H20 N6 S2 Zn -","- C22 H20 N6 S2 Zn -","- C88 H80 N24 S8 Zn4 -","4","0.5","HB6098","Wu, Chuan-Bao","Tetrapyridinedithiocyanatozinc(II)","Acta Crystallographica Section E","2004","60","10","m1490","m1491","10.1107/S1600536804023153","","","0.71073","MoKα","","0.0781","0.0608","","","0.1705","0.181","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204350","7.673","0.006","12.887","0.001","11.598","0.001","90","","91.28","0.02","90","","1146.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","azo-enaminone","4-(E)-amino-3-[(E)-2-chlorophenylazo]-3-penten-2-one","","- C11 H12 Cl N3 O -","- C11 H12 Cl N3 O -","- C44 H48 Cl4 N12 O4 -","4","1","HG6079","Vencato, Ivo; Cunha, Silvio; Rocha, Valeria; Rocha, Zenis Novais da; Lariucci, Carlito","The azo‒enaminone 4-(<i>E</i>)-amino-3-[(<i>E</i>)-2-chlorophenyldiazenyl]pent-3-en-2-one","Acta Crystallographica Section E","2004","60","10","o1704","o1706","10.1107/S1600536804020124","","","1.5418","CuKα","","0.0692","0.0605","","","0.174","0.185","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204351","13.9733","0.0013","12.2519","0.0013","15.0884","0.0014","90","","94.558","0.002","90","","2575","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Bipyridinium bis(2-caboxybenzenesulfonate) dihydrate","","- C24 H24 N2 O12 S2 -","- C24 H24 N2 O12 S2 -","- C96 H96 N8 O48 S8 -","4","0.5","HG6080","Xin-Hua Li; Zu-Guang Li; Yu-Qing Zhu","4,4'-Bipyridinium bis(2-carboxybenzenesulfonate) dihydrate","Acta Crystallographica Section E","2004","60","10","o1666","o1667","10.1107/S1600536804021051","","","0.71073","MoKα","","0.0486","0.0465","","","0.1193","0.1211","","","","","","1.096","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204352","9.7364","0.0005","6.3254","0.0003","14.2606","0.0008","90","","94.864","0.001","90","","875.1","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butylammonium dihydrogenarsenate","","- C4 H14 As N O4 -","- C4 H14 As N O4 -","- C16 H56 As4 N4 O16 -","4","1","HG6081","Wilkinson, Hazel S.; Harrison, William T. A.","<i>tert</i>-Butylammonium dihydrogenarsenate","Acta Crystallographica Section E","2004","60","10","m1359","m1361","10.1107/S1600536804020963","","","0.71073","MoKα","","0.0608","0.0236","","","0.0558","0.0635","","","","","","0.88","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204353","19.674","0.002","9.6968","0.0008","9.8462","0.0009","90","","92.589","0.005","90","","1876.5","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-bis(tert-butoxycarbonyl)cystamine","","- C14 H28 N2 O4 S2 -","- C14 H28 N2 O4 S2 -","- C56 H112 N8 O16 S8 -","4","0.5","IS6000","Bolte, Michael; Sakhaii, Peyman","<i>N,N</i>'-bis(<i>tert</i>-butoxycarbonyl)cystamine","Acta Crystallographica Section E","2004","60","10","o1682","o1683","10.1107/S1600536804021348","","","0.71073","MoKα","","0.1095","0.0456","","","0.077","0.0927","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204354","7.068","0.001","13.4916","0.0018","8.8412","0.0012","90","","100.459","0.003","90","","829.1","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-nitrobenzenesulfonamide","","- C6 H6 N2 O4 S -","- C6 H6 N2 O4 S -","- C24 H24 N8 O16 S4 -","4","1","IS6001","Zhou, Tianyan; Zhang, Qiang; Chen, Guoshu; Zhou, Zhongyuan","Redetermination of 4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2004","60","10","o1767","o1768","10.1107/S1600536804022081","","","0.71073","MoKα","","0.056","0.0402","","","0.1019","0.1118","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204355","8.312","0.001","11.696","0.002","11.705","0.001","97.42","0.01","101.634","0.009","93.01","0.01","1101.6","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","methyl 2-amino-4-(4-nitrophenyl)-5,6-dihydro-4H-pyrano [3,2-c] quinoline-5-one-3-carboxylate dimethylformamide solvate","","- C23 H22 N4 O7 -","- C23 H22 N4 O7 -","- C46 H44 N8 O14 -","2","1","IS6003","Xiang-Shan Wang; Zhao-Sen Zeng; Da-Qing Shi; Hong Chen; Xian-Yong Wei; Zhi-Min Zong","Methyl 2-amino-4-(4-nitrophenyl)-5-oxo-5,6-dihydro-4<i>H</i>-pyrano[3,2-<i>c</i>]quinoline-3-carboxylate dimethylformamide solvate","Acta Crystallographica Section E","2004","60","10","o1745","o1747","10.1107/S1600536804022093","","","0.71073","MoKα","","0.1041","0.0649","","","0.1882","0.2088","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204356","7.091","0.001","9.906","0.001","10.262","0.001","117.552","0.002","102.567","0.002","97.488","0.002","601.15","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Bromo-1,1-dimethoxyethyl)-4-nitrobenzene","","- C10 H12 Br N O4 -","- C10 H12 Br N O4 -","- C20 H24 Br2 N2 O8 -","2","1","KP6000","Shen, Yu-Dong; Wu, Hai-Qiang; Bu, Xian-Zhang; Gu, Lian-Quan; Ng, Seik Weng","1-(2-Bromo-1,1-dimethoxyethyl)-4-nitrobenzene","Acta Crystallographica Section E","2004","60","10","o1778","o1780","10.1107/S160053680402241X","","","0.71073","MoKα","","0.041","0.033","","","0.083","0.088","","","","","","1.02","","","","has coordinates,has Fobs","255781","2020-10-21","18:00:00",""
"2204357","9.828","0.001","6.849","0.001","17.634","0.001","90","","96.36","0.01","90","","1179.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 2,3,4-tri-O-pivaloyl-β-D-xylopyranoside","","- C21 H36 O8 -","- C21 H36 O8 -","- C42 H72 O16 -","2","1","KP6001","Prugovečki, Biserka; Matković-Čalogović, Dubravka; Petrović, Vesna; Tomić, Srđanka","Methyl 2,3,4-tri-<i>O</i>-pivaloyl-β-<small>D</small>-xylopyranoside","Acta Crystallographica Section E","2004","60","10","o1840","o1841","10.1107/S1600536804022925","","","0.71069","MoKα","","0.0406","0.039","","","0.0933","0.0944","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204358","9.815","0.002","6.372","0.001","9.919","0.002","90","","102.753","0.004","90","","605","0.2","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[bis[oxo(1,10-phenanthroline)vanadium(IV)]-di-μ-hydrogenphosphato]","","- C24 H18 N4 O10 P2 V2 -","- C24 H18 N4 O10 P2 V2 -","- C24 H18 N4 O10 P2 V2 -","1","0.25","KP6002","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[[oxo(1,10-phenanthroline)vanadium(IV)]-di-μ-hydrogenphosphato]","Acta Crystallographica Section E","2004","60","10","m1542","m1543","10.1107/S1600536804023931","","","0.71073","MoKα","","0.1203","0.0637","","","0.1497","0.2241","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204359","11.7423","0.0004","12.4902","0.0006","13.8929","0.0004","95.577","0.003","91.221","0.0008","90.524","0.002","2027.35","0.13","295","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 Cl4 N O2 -","- C21 H13 Cl4 N O2 -","- C84 H52 Cl16 N4 O8 -","4","2","LH6261","Xiu-Rong Hu; Jian-Ming Gu","<i>N</i>-[3-Phenyl-1-(2,3,5,6-tetrachloro-4-hydroxyphenoxy)prop-2-enylidene]aniline","Acta Crystallographica Section E","2004","60","10","o1773","o1774","10.1107/S1600536804022354","","","0.7107","MoKα","","0.0497","0.0396","","","0.1049","0.1168","","","","","","1.102","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204360","8.7884","0.0015","13.765","0.003","10.2773","0.0012","90","","114.741","0.012","90","","1129.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[N,N'-ethylenediamide-bis(2-aminoethyl)]bis(imidazole) dicopper(II) diperchlorate","[N,N'-ethylenediamide-bis(2-aminoethyl)]bis(imidazole) dicopper(II) diperchlorate","","- C12 H20 Cl2 Cu2 N8 O10 -","- C12 H20 Cl2 Cu2 N8 O10 -","- C24 H40 Cl4 Cu4 N16 O20 -","2","0.5","LH6262","Li, Yan-Ping; Yang, Pin; Huang, Zi-Xiang; Xie, Fu-Xin","[μ-<i>N,N</i>'-Bis(2-aminoethyl)ethanediamido(2‒)-κ^6^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>',<i>N</i>'',<i>N</i>''']bis[(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)] diperchlorate","Acta Crystallographica Section E","2004","60","10","m1425","m1427","10.1107/S160053680402183X","","","0.71073","MoKα","","0.0309","0.0293","","","0.0755","0.0766","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204361","9.35","0.003","10.454","0.003","18.902","0.007","90","","103.764","0.014","90","","1794.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-Poly[[trimethyltin(IV)]-μ-2-phenyl-3-(4-chlorophenyl)propenoato- κ^2^O:O']","catena-Poly[[trimethyltin(IV)]-μ-2-phenyl-3-(4-chlorophenyl)propenoato- κ^2^O:O']","","- C18 H19 Cl O2 Sn -","- C18 H19 Cl O2 Sn -","- C72 H76 Cl4 O8 Sn4 -","4","1","LH6264","Sadiq-ur-Rehman; Ali, Saqib; Mazhar, Muhammad; Parvez, Masood","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-3-(4-chlorophenyl)-2-phenylpropenoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","10","m1394","m1396","10.1107/S1600536804021774","","","0.71073","MoKα","","0.057","0.034","","","0.07","0.079","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204362","5.227","0.001","11.709","0.002","9.799","0.002","90","","101.63","0.03","90","","587.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-trans-bis(pyridazine-3-carboxylato-κ^2^O,N)zinc(II)","","- C10 H10 N4 O6 Zn -","- C10 H10 N4 O6 Zn -","- C20 H20 N8 O12 Zn2 -","2","0.5","LH6265","Gryz, Michał; Starosta, Wojciech; Leciejewicz, Janusz","Diaqua-<i>trans</i>-bis(pyridazine-3-carboxylato-κ^2^<i>O,N</i>)zinc(II)","Acta Crystallographica Section E","2004","60","10","m1481","m1483","10.1107/S1600536804023025","","","0.71073","MoKα","","0.0433","0.0415","","","0.1118","0.1135","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204363","22.105","0.003","10.7547","0.0013","17.074","0.002","90","","127.879","0.004","90","","3203.8","0.7","195","2","195","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-tert-butylpyrazole","","- C7 H12 N2 -","- C7 H12 N2 -","- C112 H192 N32 -","16","2","LH6270","Zhang, Fan; Wagner, Matthias; Bats, Jan W.","High-temperature phase of 5-<i>tert</i>-butylpyrazole","Acta Crystallographica Section E","2004","60","10","o1804","o1806","10.1107/S160053680402269X","","","0.71073","MoKα","","0.1776","0.0601","","","0.1198","0.1507","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204364","9.292","0.001","9.449","0.001","10.973","0.001","94.99","0.01","98.14","0.02","102.84","0.01","922.85","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carboxylate","","- C22 H18 Cl N O3 -","- C22 H18 Cl N O3 -","- C44 H36 Cl2 N2 O6 -","2","1","LH6271","Daqing Shi; Xiangshan Wang; Qiya Zhuang","Ethyl 3-amino-1-(4-chlorophenyl)-1<i>H</i>-benzo[<i>f</i>]chromene-2-carboxylate","Acta Crystallographica Section E","2004","60","10","o1807","o1809","10.1107/S1600536804022706","","","0.71073","MoKα","","0.0571","0.0393","","","0.1008","0.1073","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204365","10.3002","0.0001","11.7916","0.0002","17.5843","0.0002","90","","101.27","0.0009","90","","2094.53","0.05","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lorastan","2-butyl-4-chloro-1-[2'-(2H-tetrazol-5-yl)-1,1'-biphenyl-4-ylmethyl]-1H- imidazole-5-methanol","","- C22 H23 Cl N6 O -","- C22 H23 Cl N6 O -","- C88 H92 Cl4 N24 O4 -","4","1","LH6272","Limor Tessler; Israel Goldberg","Losartan, an antihypertensive drug","Acta Crystallographica Section E","2004","60","10","o1830","o1832","10.1107/S1600536804022949","","","0.71073","MoKα","","0.052","0.0406","","","0.1008","0.1088","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204366","12.423","0.002","7.843","0.001","12.871","0.002","90","","109.44","0.02","90","","1182.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl3 N2 O -","- C7 H11 Cl3 N2 O -","- C28 H44 Cl12 N8 O4 -","4","1","LH6273","Stumpf, Silvia; Wagner, Matthias; Bolte, Michael","4-Hydroxymethyl-3,5-dimethyl-1<i>H</i>-pyrazole chloroform solvate","Acta Crystallographica Section E","2004","60","10","o1754","o1755","10.1107/S1600536804022317","","","0.71073","MoKα","","0.1609","0.0763","","","0.169","0.2104","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204367","5.283","0.002","15.937","0.004","4.6205","0.0018","90","","108.78","0.03","90","","368.3","0.2","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","trans-2,5,7,10-tetraazabicyclo[4.4.0]decane","","- C6 H14 N4 -","- C6 H14 N4 -","- C12 H28 N8 -","2","0.25","LH6274","Sänger, Inge; Lerner, Hans-Wolfram; Bolte, Michael","Redetermination of <i>trans</i>-2,5,7,10-tetraazabicyclo[4.4.0]decane","Acta Crystallographica Section E","2004","60","10","o1847","o1848","10.1107/S1600536804022688","","","0.71073","MoKα","","0.0572","0.0499","","","0.1387","0.1444","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204368","12.971","0.002","13.429","0.003","15.088","0.003","92.49","0.011","96.82","0.011","118.531","0.008","2277.5","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","dimeric distannoxane","bis[μ~2~-3-(4-methoxyphenyl)-2-phenyl-2-propenoato]bis[3-(4-methoxyphenyl)- 2-phenyl-2-propenoato]di-μ~3~oxo-tetrakis[dibutyltin(IV)]","","- C96 H124 O14 Sn4 -","- C96.024 H124 O14 Sn4 -","- C96.024 H124 O14 Sn4 -","1","0.5","LH6275","Parvez, Masood; Sadiq-ur-Rehman; Shahid, Khadija; Ali, Saqib; Mazhar, Muhammad","Tetrabutylbis[3-(4-methoxyphenyl)-2-phenyl-2-propenoato]distannoxane dimer","Acta Crystallographica Section E","2004","60","10","m1465","m1467","10.1107/S1600536804022950","","","0.71073","MoKα","","0.1","0.046","","","0.082","0.097","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204369","9.4976","0.0009","12.5798","0.0016","12.622","0.003","66.096","0.013","84.511","0.013","70.047","0.009","1294.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(tetraphenylphosphonium) bis(tetraselenomolybdato)palladate(II)","","- C48 H40 Mo2 P2 Pd Se8 -","- C48 H40 Mo2 P2 Pd Se8 -","- C48 H40 Mo2 P2 Pd Se8 -","1","0.5","LH6276","Shiffler, Zachary J.; Baldwin, Steven M.; Keane, Joseph M.; Belz, Brian L.; Barr, Matthew L.; Slavin III, Edward R.; Kastner, Margaret E.; Mahler, Charles H.","Bis(tetraphenylphosphonium) bis(tetraselenomolybdato)palladate(II)","Acta Crystallographica Section E","2004","60","10","m1539","m1541","10.1107/S1600536804023104","","","0.71073","MoKα","","0.0831","0.053","","","0.1347","0.152","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204370","7.041","0.001","7.2791","0.001","8.0673","0.0011","116.563","0.002","107.909","0.002","98.437","0.003","331.7","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[trans-dibromocopper(II)]-di-μ-3-pyridinecarbonitrile-κ^2^N^1^:N^3^]","","- C12 H8 Br2 Cu N4 -","- C12 H8 Br2 Cu N4 -","- C12 H8 Br2 Cu N4 -","1","0.5","LH6277","Xin-Hua Li; Hua-Yue Wu; Jin-Guo Hu","Poly[[<i>trans</i>-dibromocopper(II)]-di-μ-3-pyridinecarbonitrile-κ^4^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2004","60","10","m1533","m1535","10.1107/S1600536804023578","","","0.71073","MoKα","","0.029","0.0275","","","0.0785","0.0795","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204371","9.2068","0.0005","9.7961","0.0005","10.1375","0.0006","94.732","0.004","112.57","0.005","102.194","0.004","811.57","0.09","293","","293","2","","","","","","","","3","P -1","-P 1","2","","2-benzoyloxy-5-methylbenzophenone","","- C21 H16 O3 -","- C21 H16 O3 -","- C42 H32 O6 -","2","1","LH6278","Sieroń, Lesław; Shashikanth, S.; Yathirajan, H. S.; Venu, T. D.; Nagaraj, B.; Nagaraja, P.; Khanum, S. A.","2-Benzoyloxy-5-methylbenzophenone","Acta Crystallographica Section E","2004","60","10","o1889","o1891","10.1107/S1600536804023463","","","0.71073","MoKα","","0.0357","0.0324","","","0.0849","0.088","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204372","15.96","0.002","4.8404","0.0004","20.313","0.003","90","","110.58","0.04","90","","1469.1","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxypyridinium 3-(carboxymethoxy)phenoxyacetate","","- C15 H15 N O7 -","- C15 H15 N O7 -","- C60 H60 N4 O28 -","4","1","NC6000","Gao, Shan; Liu, Ji-Wei; Huo, Li- Hua; Zhao, Hui; Ng, Seik Weng","3-Hydroxypyridinium 3-(carboxymethoxy)phenoxyacetate","Acta Crystallographica Section E","2004","60","10","o1854","o1855","10.1107/S1600536804023219","","","0.71073","MoKα","","0.108","0.057","","","0.113","0.129","","","","","","1.02","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204373","12.638","0.002","14.039","0.003","12.102","0.002","90","","94.6","0.01","90","","2140.3","0.7","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3,6,6-Tetramethyl-N-hydroxy-9-(4-fluorophenyl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione monohydrate","","- C23 H28 F N O4 -","- C23 H28 F N O4 -","- C92 H112 F4 N4 O16 -","4","1","OB6404","Shujiang Tu; Fang Fang; Songlei Zhu","9-(4-Fluorophenyl)-<i>N</i>-hydroxy-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione monohydrate","Acta Crystallographica Section E","2004","60","10","o1677","o1679","10.1107/S1600536804021361","","","0.71073","MoKα","","0.0746","0.0398","","","0.0932","0.102","","","","","","0.906","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204374","8.3801","0.0019","9.543","0.002","16.348","0.004","90","","90","","90","","1307.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gem-chloronitroso-cyclododecane","1,1-chloronitroso-cyclododecane","","- C12 H22 Cl N O -","- C12 H22 Cl N O -","- C48 H88 Cl4 N4 O4 -","4","1","OB6412","C.R. Girija.; Noor Shahina Begum; Abdul Karim, H.A.M; Gopalpur Nagendrappa.","<i>gem</i>-Chloronitrosocyclododecane, (CH~2~)~<i>n~{‒</i>1}CNOCl, with <i>n</i> = 12","Acta Crystallographica Section E","2004","60","10","o1764","o1766","10.1107/S1600536804022068","","","0.71073","MoKα","","0.0776","0.0539","","","0.14","0.1548","","","","","","0.948","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204375","12.6005","0.0002","14.097","0.0002","18.3091","0.0003","83.206","0.001","75.675","0.001","70.433","0.001","2966.9","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Tris(tetraethylammonium) tris(μ-4-pyridinemethanolato)bis[tricarbonyltungsten(0)] acetonitrile trisolvate","","- C54 H87 N9 O9 W2 -","- C54 H87 N9 O9 W2 -","- C108 H174 N18 O18 W4 -","2","1","OB6415","Klausmeyer, Kevin K.; Adrian, Rafael A.","Tris(tetraethylammonium) tris(μ-4-pyridinemethanolato)bis[tricarbonyltungsten(0)] acetonitrile trisolvate","Acta Crystallographica Section E","2004","60","10","m1414","m1416","10.1107/S1600536804021063","","","0.71073","MoKα","","0.0238","0.0178","","","0.041","0.0422","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204376","8.422","0.002","10.585","0.003","12.866","0.003","79.879","0.004","76.281","0.004","79.042","0.004","1083.6","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","5-Benzyl-8-(E)-benzylidene-6,7,7a,10a-tetrahydro-5H-cis- cyclopenta[5,6]pyrano[3,3-c]quinolin-6-one","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C58 H46 N2 O4 -","2","1","OB6416","S.Aravindan; N.Sampath; M.N.Ponnuswamy; N.Kalaivasan; R.Raghunathan; M.Nethaji","5-Benzyl-8-(<i>E</i>)-benzylidene-6,7,7a,10a-tetrahydro-5<i>H</i>-<i>cis</i>-cyclopenta[5,6]pyrano[3,3-<i>c</i>]quinolin-6-one","Acta Crystallographica Section E","2004","60","10","o1699","o1701","10.1107/S160053680402135X","","","0.71073","MoKα","","0.0846","0.0586","","","0.121","0.132","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204377","4.7557","0.0006","5.5781","0.0013","40.93","0.004","92.452","0.012","92.094","0.009","102.365","0.013","1058.5","0.3","296","1","","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H40 S2 -","- C19 H40 S2 -","- C38 H80 S4 -","2","1","RN6022","Naotake Nakamura; Hirotaka Shimizu; Yoshihiro Ogawa","Nonadecane-1,19-dithiol","Acta Crystallographica Section E","2004","60","10","o1684","o1686","10.1107/S1600536804021312","","","1.5418","CuKα","","","0.061","","","","0.127","","","","","","1.003","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204378","15.5021","0.0019","6.6902","0.0008","22.676","0.003","90","","90","","90","","2351.8","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7a,8,9,10-Tetrahydrobenzo[f]cyclopenta[b]chromen-10-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","RN6023","Huo, Fangjun; Yin, Caixia; Yang, Pin","7a,8,9,10-Tetrahydrobenzo[<i>f</i>]cyclopenta[<i>b</i>]chromen-10-one","Acta Crystallographica Section E","2004","60","10","o1671","o1673","10.1107/S1600536804021403","","","0.71073","MoKα","","0.0466","0.0369","","","0.0918","0.0983","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204379","25.84","0.008","7.0633","0.001","17.107","0.005","90","","108.79","0.03","90","","2955.9","1.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Cl2 N O4 -","- C15 H13 Cl2 N O4 -","- C120 H104 Cl16 N8 O32 -","8","1","RZ6000","Hiroyuki Ishida","1,2,3,4-Tetrahydroquinolinium hydrogen chloranilate","Acta Crystallographica Section E","2004","60","10","o1674","o1676","10.1107/S1600536804021531","","","0.71073","MoKα","","0.067","0.042","","","0.11","0.121","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204380","9.4403","0.0019","3.739","0.0007","19.737","0.004","90","","101.67","0.03","90","","682.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zoxazolamine","2-Amino-5-chloro-1,3-benzoxazole","","- C7 H5 Cl N2 O -","- C7 H5 Cl N2 O -","- C28 H20 Cl4 N8 O4 -","4","1","RZ6001","Daniel E. Lynch","2-Amino-5-chloro-1,3-benzoxazole","Acta Crystallographica Section E","2004","60","10","o1715","o1716","10.1107/S1600536804021786","","","0.71073","MoKα","","0.0334","0.0294","","","0.0808","0.0838","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204381","11.434","0.004","7.82","0.003","27.782","0.01","90","","95.306","0.006","90","","2473.5","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-{2-Methoxy-5-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)thiophen-2- yl]phenyl}morpholine","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C104 H124 N4 O20 S4 -","4","1","RZ6002","Shi, Jixian; Hu, Qingping; Lei, Yingjie; Reiner, John","4-{5-[3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]-2-methoxyphenyl}morpholine","Acta Crystallographica Section E","2004","60","10","o1810","o1811","10.1107/S1600536804022810","","","0.71073","MoKα","","0.0934","0.0504","","","0.1043","0.1191","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204382","8.216","0.001","11.695","0.002","12.204","0.002","77.44","0.01","89","0.01","78.4","0.01","1120.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-amino-4-(3-nitrophenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline- 3-carboxylate dimethylformamide solvate","","- C23 H22 N4 O7 -","- C23 H22 N4 O7 -","- C46 H44 N8 O14 -","2","1","SJ6003","Xiang-Shan Wang; Zhao-Sen Zeng; Da-Qing Shi; Xian-Yong Wei; Zhi-Min Zong","Methyl 2-amino-4-(3-nitrophenyl)-5-oxo-5,6-dihydro-4<i>H</i>-pyrano[3,2-<i>c</i>]quinoline-3-carboxylate dimethylformamide solvate","Acta Crystallographica Section E","2004","60","10","o1877","o1879","10.1107/S160053680402358X","","","0.71073","MoKα","","0.0714","0.041","","","0.099","0.1076","","","","","","0.902","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204383","9.25","0.003","10.701","0.003","12.135","0.004","74.918","0.004","89.738","0.004","85.213","0.004","1155.6","0.6","163","2","163","2","","","","","","","","4","P -1","-P 1","2","6-Amino-5,5-diisopropyl-5H-pyrimidine-2,4-dione hemihydrate","6-Amino-5,5-diisopropyl-5H-pyrimidine-2,4-dione hemihydrate","","- C10 H18 N3 O2.5 -","- C10 H18 N3 O2.5 -","- C40 H72 N12 O10 -","4","2","SJ6004","Lewis, William; McKeown, Robert H.; Robinson, Ward T.","6-Amino-5,5-diisopropyl-5<i>H</i>-pyrimidine-2,4-dione hemihydrate","Acta Crystallographica Section E","2004","60","10","o1739","o1741","10.1107/S1600536804022056","","","0.71073","MoKα","","0.0404","0.035","","","0.0938","0.0977","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204384","10.527","0.002","7.0943","0.0014","13.007","0.003","90","","113.83","0.03","90","","888.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis[(2-oxo-4H-pyridin-1-yl)acetate]cobalt(II)","","- C14 H20 Co N2 O10 -","- C14 H20 Co N2 O10 -","- C28 H40 Co2 N4 O20 -","2","0.5","SJ6005","Shan Gao; Zhu-Yan Zhang; Li-Hua Huo; Hui Zhao; Jing-Gui Zhao","Tetraaquabis[(2-oxo-1,2-dihydropyridin-1-yl)acetato-κ<i>O</i>^2^]cobalt(II)","Acta Crystallographica Section E","2004","60","10","m1422","m1424","10.1107/S1600536804022196","","","0.71073","MoKα","","0.047","0.039","","","0.096","0.1","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204385","9.046","0.002","14.626","0.003","17.588","0.004","104.4","0.02","100.2","0.02","92.47","0.02","2209","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[aquabis(pyridine-κN)copper(II)]-μ-1,3-phenylenedioxydiacetato- κ^2^-O:O'] dihydrate]‒catena-poly[[[bis(pyridine-κN)copper(II)]- μ-1,3-phenylenedioxydiacetato-κ^2^-O:O'] trihydrate] (1.5/0.5)","","- C40 H48 Cu2 N4 O18 -","- C40 H48 Cu1.999 N4 O18 -","- C80 H96 Cu3.998 N8 O36 -","2","1","SJ6006","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","<i>catena</i>-Poly[[[aquadipyridinecopper(II)]-μ-1,3-phenylenedioxydiacetato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]","Acta Crystallographica Section E","2004","60","10","m1475","m1477","10.1107/S1600536804023037","","","0.71073","MoKα","","0.1137","0.0583","","","0.1159","0.1352","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204386","10.6019","0.0003","18.0331","0.0005","18.3529","0.0005","91.372","0.001","93.985","0.001","105.418","0.001","3371.06","0.16","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","Bis[1,3-bis(diphenylphosphino)propane-κ^2^P,P']silver(I) hemi[cyclopentyldiphenylbis(trifluoroacetato-κO)stannate(IV)] hemi[triphenylbis(trifluoroacetato)stannate(IV)]","","- C75.5 H69 Ag F6 O4 P4 Sn -","- C75.5 H69 Ag F6 O4 P4 Sn -","- C151 H138 Ag2 F12 O8 P8 Sn2 -","2","1","SJ6007","Teo, Yin Yin; Lo, Kong Mun; Ng, Seik Weng","Bis[1,3-bis(diphenylphosphino)propane-κ^2^<i>P,P</i>']silver(I) hemi[cyclopentyldiphenylbis(trifluoroacetato-κ<i>O</i>)stannate(IV)] hemi[triphenylbis(trifluoroacetato-κ<i>O</i>)stannate(IV)]","Acta Crystallographica Section E","2004","60","10","m1478","m1480","10.1107/S1600536804023049","","","0.71073","MoKα","","0.0661","0.0474","","","0.1199","0.1333","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2204387","6.9316","0.0009","9.1453","0.0011","9.3055","0.0011","87.093","0.002","77.229","0.002","87.885","0.002","574.36","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(1H-imidazole-4,5-dicarboxylato-κN^3^)cobalt(II) N,N-dimethylformamide disolvate","","- C16 H24 Co N6 O12 -","- C16 H24 Co N6 O12 -","- C16 H24 Co N6 O12 -","1","0.5","SJ6008","Hong-Ping Xiao; Xin-Hua Li; Qian Shi","Diaquabis(1<i>H</i>-imidazole-4,5-dicarboxylato-κ<i>N</i>^3^)cobalt(II) <i>N,N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2004","60","10","m1519","m1521","10.1107/S1600536804023311","","","0.71073","MoKα","","0.0659","0.0511","","","0.1081","0.1147","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204388","6.392","0.003","9.081","0.004","11.099","0.005","113.793","0.006","95.328","0.007","99.931","0.006","571.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Fluorobenzyl)-2-thioxo-3,4,5,6-tetrahydropyrimidin-4(1H)-one","","- C11 H11 F N2 O S -","- C11 H11 F N2 O S -","- C22 H22 F2 N4 O2 S2 -","2","1","SJ6011","Chang-Sheng Yao; Hai-Bin Song; You-Quan Zhu; Ying Gao; Fang-Zhong Hu; Xiao-Mao Zou; Hua-Zheng Yang","3-(4-Fluorobenzyl)-2-thioxo-3,4,5,6-tetrahydropyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","10","o1909","o1910","10.1107/S160053680402402X","","","0.71073","MoKα","","0.0393","0.0323","","","0.0893","0.0957","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204389","13.572","0.004","10.37","0.003","19.435","0.006","90","","108.899","0.005","90","","2587.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-Anthracenemethylpropylamine diphenylphosphoride monohydrate","","- C30 H32 N O3 P -","- C30 H32 N O3 P -","- C120 H128 N4 O12 P4 -","4","1","SU6136","Liu, Qing-Xiang; Song, Hai-Bin; Li, Zheng-Ming","<i>N</i>-(9-Anthrylmethyl)propylaminium diphenylphosphinate monohydrate","Acta Crystallographica Section E","2004","60","10","o1759","o1761","10.1107/S1600536804022160","","","0.71073","MoKα","","0.1864","0.1027","","","0.2573","0.3165","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204390","20.694","0.007","12.031","0.004","23.694","0.008","90","","90","","90","","5899","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H38 N2 -","- C37 H38 N2 -","- C296 H304 N16 -","8","1","SU6137","Liu, Qing-Xiang; Song, Hai-Bin","Bis[<i>N</i>-(9-anthrylmethyl)propylamino]methane","Acta Crystallographica Section E","2004","60","10","o1762","o1763","10.1107/S1600536804022172","","","0.71073","MoKα","","0.2116","0.0612","","","0.1328","0.1984","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204391","6.613","0.002","11.858","0.004","13.936","0.005","90","","94.216","0.004","90","","1089.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di(ethylendiamine-κ2N,N^'^)(thiosulfato-κS) copper(II)","","- C4 H16 Cu N4 O3 S2 -","- C4 H16 Cu N4 O3 S2 -","- C16 H64 Cu4 N16 O12 S8 -","4","1","SU6138","Fu, Ai-Yun; Wang, Da-Qi; Wang, Fu-Ming","Bis(ethylenediamine-κ^2^<i>N,N</i>')(thiosulfato-κ<i>S</i>)copper(II)","Acta Crystallographica Section E","2004","60","10","m1527","m1529","10.1107/S1600536804022184","","","0.71073","MoKα","","0.0534","0.0382","","","0.0919","0.0993","","","","","","0.934","","","","has coordinates,has Fobs","194596","2020-10-21","18:00:00",""
"2204392","17.049","0.004","4.154","0.009","19.13","0.004","90","","102.695","0.004","90","","1322","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-Dimethyl-4-(4-methoxyphenyldiazenyl)phenol","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","SU6139","Kocaokutgen, Hasan; Gür, Mahmut; Soylu, M. Serkan; Lörnnecke, Peter","4-(4-Methoxyphenyldiazenyl)-2,6-dimethylphenol","Acta Crystallographica Section E","2004","60","10","o1756","o1758","10.1107/S1600536804022147","","","0.71073","MoKα","","0.0719","0.0514","","","0.1204","0.1309","","","","","","1.105","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204393","7.128","0.003","13.46","0.003","19.731","0.005","90","","90","","90","","1893.1","0.8","293","2","293","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- C8 H8 N2 O7 -","- C8 H8 N2 O7 -","- C64 H64 N16 O56 -","8","0.5","SU6140","Sun, Yu-Xi; Nie, Yi","Ammonium 2,6-dicarboxyl-4-nitrophenol","Acta Crystallographica, Section E","2004","60","10","m1742","m1744","10.1107/S1600536804022135","","","0.71073","MoKα","","0.0636","0.0587","","","0.1909","0.197","","","","","","1.119","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204394","7.165","0.001","8.215","0.002","11.316","0.002","101.36","0.03","101.31","0.03","92.57","0.03","637.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","hexane-1,6-diammonium dipicrate dihydrate","","- C18 H26 N8 O16 -","- C18 H26 N8 O16 -","- C18 H26 N8 O16 -","1","0.5","SU6142","Zhi-Dong Lin; Jin-Yu Lu","Hexane-1,6-diammonium dipicrate dihydrate","Acta Crystallographica Section E","2004","60","10","o1886","o1888","10.1107/S1600536804023918","","","0.71073","MoKα","","0.0524","0.0395","","","0.1058","0.1203","","","","","","0.911","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204395","11.255","0.002","14.108","0.003","14.576","0.003","90","","103.37","0.03","90","","2251.7","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Benzimidazolium hydrogen bis(3-carboxyphenoxyacetate)","","- C25 H22 N2 O10 -","- C25 H22 N2 O10 -","- C100 H88 N8 O40 -","4","0.5","SU6143","Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Hui; Ng, Seik Weng","Benzimidazolium hydrogen bis(3-carboxyphenoxyacetate)","Acta Crystallographica Section E","2004","60","10","o1856","o1858","10.1107/S1600536804023281","","","0.71073","MoKα","","0.0837","0.0687","","","0.1886","0.1962","","","","","","1.182","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204396","14.385","0.002","14.605","0.002","14.655","0.002","86.95","0.03","67.22","0.03","70.38","0.03","2663.5","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis[(acetato-κO)bis(2,2'-bipyridine-κ^2^N,N')copper(II)] 4-carboxyphenoxyacetate hexahydrate","","- C53 H56 Cu2 N8 O15 -","- C53 H56 Cu2 N8 O15 -","- C106 H112 Cu4 N16 O30 -","2","1","SU6144","Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Hui; Ng, Seik Weng","Bis[(acetato-κ<i>O</i>)bis(2,2'-bipyridine-κ^2^<i>N,N</i>')copper(II)] 4-carboxyphenoxyacetate hexahydrate","Acta Crystallographica Section E","2004","60","10","m1487","m1489","10.1107/S160053680402327X","","","0.71073","MoKα","","0.0934","0.0464","","","0.0935","0.1063","","","","","","0.979","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204397","11.0498","0.0004","11.0498","0.0004","16.0416","0.0011","90","","90","","120","","1696.24","0.15","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C12 H24 Cl2 N6 S3 Zn -","- C12 H24 Cl2 N6 S3 Zn -","- C36 H72 Cl6 N18 S9 Zn3 -","3","0.333333","TK6186","Hai Qing Sun; Wen Tao Yu; Duo Rong Yuan; Xin Qing Wang; Gang, Xue","Tris(allylthiourea-κ<i>S</i>)chlorozinc(II) chloride","Acta Crystallographica Section E","2004","60","10","m1431","m1433","10.1107/S1600536804022512","","","0.71073","MoKα","","0.05","0.037","","","0.086","0.093","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204398","9.791","0.002","9.858","0.001","12.274","0.002","69.12","0.01","75.74","0.01","89.54","0.01","1068.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","hydroxylethylammonium enrofloxacinate","2-hydroxyethanaminium 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline- 3-carboxylate","","- C21 H29 F N4 O4 -","- C21 H29 F N4 O4 -","- C42 H58 F2 N8 O8 -","2","1","WK6021","Hong-Xiang Sun; Yuan Li; Yuan-Jiang Pan","2-Hydroxyethanaminium enrofloxacinate","Acta Crystallographica Section E","2004","60","10","o1694","o1696","10.1107/S1600536804021233","","","0.71073","MoKα","","0.056","0.037","","","0.097","0.102","","","","","","0.948","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204399","7.4923","0.0014","7.7866","0.0014","14.406","0.003","94.492","0.003","102.639","0.003","113.064","0.003","741.8","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","N-(p-Methoxybenzoyl)-N'-o-tolylthiourea","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C32 H32 N4 O4 S2 -","2","1","WK6026","M. Sukeri M. Yusof; Bohari M. Yamin","<i>N</i>-(4-Methoxybenzoyl)-<i>N</i>'-<i>o</i>-tolylthiourea","Acta Crystallographica Section E","2004","60","10","o1687","o1688","10.1107/S1600536804021373","","","0.71073","MoKα","","0.041","0.038","","","0.107","0.11","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204400","9.065","0.002","20.736","0.005","7.1111","0.0018","90","","102.166","0.002","90","","1306.7","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquanitritobis(picolinato-κ^2^N,O)cobalt(III)","","- C12 H10 Co N3 O7 -","- C12 H10 Co N3 O7 -","- C48 H40 Co4 N12 O28 -","4","1","WK6029","Chen, Bai-Quan; Han, Lei; Xu, Ying; Wu, Ben-Lai; Hong, Mao-Chun","Aquanitritobis(picolinato-κ^2^<i>N</i>,<i>O</i>)cobalt(III)","Acta Crystallographica Section E","2004","60","10","m1376","m1378","10.1107/S1600536804021270","","","0.71073","MoKα","","0.0313","0.0295","","","0.0844","0.0864","","","","","","1.035","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204401","57.334","0.006","7.9101","0.0008","10.1991","0.001","90","","97.237","0.002","90","","4588.6","0.8","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Barium indium nitride","","","- Ba19 In9 N9 -","- Ba19 In9 N9 -","- Ba76 In36 N36 -","4","0.5","WM6029","Yamane, Hisanori; Sasaki, Shinya; Kajiwara, Takashi; Takahiro Yamada; Shimada, Masahiko","Ba~19~In~9~N~9~, a subnitride containing isolated [In~5~]^5{-^} and [In~8~]^12{-^} Zintl anions","Acta Crystallographica Section E","2004","60","10","i120","i123","10.1107/S160053680402224X","","","0.71069","MoKα","","0.0603","0.0419","","","0.1015","0.1061","","","","","","0.952","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204402","13.292","0.004","7.529","0.002","17.213","0.005","90","","111.607","0.005","90","","1601.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Chloro-N-(7-fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl)- 2,2-dimethylpropionamide","","- C16 H16 Cl F N2 O3 -","- C16 H16 Cl F N2 O3 -","- C64 H64 Cl4 F4 N8 O12 -","4","1","WN6255","Cao, De-Yong; Chen, Li-Gong; Song, Jian; Feng, Rong-Xiu; Lou, Ke-Xia","3-Chloro-<i>N</i>-[7-fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2<i>H</i>-1,4-benzoxazin-6-yl]-2,2-dimethylpropionamide","Acta Crystallographica Section E","2004","60","10","o1788","o1789","10.1107/S160053680402121X","","","0.71073","MoKα","","0.0555","0.0367","","","","0.1027","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204403","8.2319","0.0005","22.757","0.0015","14.6764","0.0008","90","","90","","90","","2749.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","WN6271","Erdem, Talip Kaya; Atalay,Şehriman; Akdemir, Nesuhi; Aǧar, Erbil; Kantar, Cihan","4-(2-Methoxy-4-methylphenoxy)phthalonitrile","Acta Crystallographica Section E","2004","60","10","o1849","o1850","10.1107/S160053680401894X","","","0.71073","MoKα","","0.0641","0.0432","","","0.1077","0.1172","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204404","11.193","0.003","6.4489","0.0019","14.427","0.004","90","","93.139","0.005","90","","1039.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Chloro-N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide","","- C8 H5 Cl2 F N2 O3 -","- C8 H5 Cl2 F N2 O3 -","- C32 H20 Cl8 F4 N8 O12 -","4","1","WN6273","Zhang, Ying; Feng, Tian-Yang","2-Chloro-<i>N</i>-(5-chloro-4-fluoro-2-nitrophenyl)acetamide","Acta Crystallographica Section E","2004","60","10","o1717","o1718","10.1107/S1600536804021646","","","0.71073","MoKα","","0.0511","0.0348","","","0.0865","0.0952","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204405","9.517","0.003","9.9163","0.0019","13.194","0.005","75.3","0.02","70.12","0.03","80.03","0.019","1127.5","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl2 N3 O8 -","- C21 H17 Cl2 N3 O8 -","- C42 H34 Cl4 N6 O16 -","2","1","WN6274","Hiroyuki Ishida; Bilkish Rahman; Setsuo Kashino","3,5-Lutidinium‒2-chloro-4-nitrobenzoate‒2-chloro-4-nitrobenzoic acid (1/1/1)","Acta Crystallographica Section E","2004","60","10","o1661","o1663","10.1107/S1600536804021075","","","0.71073","MoKα","","0.158","0.059","","","0.135","0.167","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204406","10.012","0.003","10.318","0.003","13.974","0.002","90","","110.767","0.015","90","","1349.8","0.6","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl N3 O4 -","- C13 H8 Cl N3 O4 -","- C52 H32 Cl4 N12 O16 -","4","1","WN6275","Hiroyuki Ishida; Takeo Fukunaga","3-Cyanopyridine‒2-chloro-4-nitrobenzoic acid (1/1)","Acta Crystallographica Section E","2004","60","10","o1664","o1665","10.1107/S1600536804021087","","","0.71073","MoKα","","0.122","0.051","","","0.099","0.119","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204407","16.25","0.003","10.0614","0.0015","20.021","0.003","90","","90","","90","","3273.4","0.9","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(ethylenediammonium) tris(pyridine-2,6-dicarboxylato-κ^3^O,O',N)cadmium(II) hexahydrate","","- C25 H41 Cd N7 O18 -","- C25 H41 Cd N7 O18 -","- C100 H164 Cd4 N28 O72 -","4","0.5","WN6276","Fu, Ai-Yun; Wang, Da-Qi; Liu, Ai-Zhen","Bis(ethylenediammonium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O,O</i>',<i>N</i>)cadmium(II) hexahydrate","Acta Crystallographica Section E","2004","60","10","m1372","m1373","10.1107/S1600536804021567","","","0.71073","MoKα","","0.0493","0.0277","","","0.0612","0.067","","","","","","0.952","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2204408","13.853","0.004","6.918","0.002","20.723","0.006","90","","99.855","0.005","90","","1956.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-formyl-3-methyl-1-phenyl-1H-pyrazol-5-yl) sulfide","","- C22 H18 N4 O2 S -","- C22 H18 N4 O2 S -","- C88 H72 N16 O8 S4 -","4","1","WN6277","Li-Min Yang; Hong-Qing Wang; Zhao-Jie Liu; Hai-Bin Song","Bis(4-formyl-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl) sulfide","Acta Crystallographica Section E","2004","60","10","o1898","o1899","10.1107/S1600536804024043","","","0.71073","MoKα","","0.0654","0.0406","","","0.0931","0.1033","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204409","15.239","0.002","7.85","0.001","15.846","0.003","90","","101","0.01","90","","1860.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 9-amino-7-(p-tolyl)-7H-pyrano[3,2-c]coumarin-8-carboxylate","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","WN6278","Jing Wang; Daqing Shi; Xiangshan Wang","Ethyl 2-amino-5-oxo-4-(<i>p</i>-tolyl)-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-8-carboxylate","Acta Crystallographica Section E","2004","60","10","o1725","o1727","10.1107/S1600536804021841","","","0.71073","MoKα","","0.066","0.0397","","","0.0947","0.1012","","","","","","0.908","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204410","8.534","0.004","16.122","0.006","22.481","0.009","90","","90","","90","","3093","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3,5-dimethyl)phenyl-5-(4-ethyl)phenyl-1,3,4-oxadiazole","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C144 H144 N16 O8 -","8","1","WN6279","Chun-Hui Mao; Qing-Min Wang; Run-Qiu Huang; Li Chen; Jian Shang; Hai-Bin Song","2-(3,5-Dimethylphenyl)-5-(4-ethylphenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2004","60","10","o1823","o1825","10.1107/S1600536804022020","","","0.71073","MoKα","","0.126","0.0591","","","0.1225","0.148","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204411","12.92","0.002","11.411","0.002","7.448","0.001","90","","99.329","0.002","90","","1083.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-[Hydroxy(4-chlorophenyl)methyl]-cyclopent-2-en-1-one","2-[Hydroxy(4-chlorophenyl)methyl]-cyclopent-2-en-1-one","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C48 H44 Cl4 O8 -","4","1","WN6280","Huo, Fangjun; Yin, Caixia; Yang, Pin","2-[(4-Chlorophenyl)hydroxymethyl]cyclopent-2-en-1-one","Acta Crystallographica Section E","2004","60","10","o1775","o1777","10.1107/S1600536804022597","","","0.71073","MoKα","","0.0632","0.0458","","","0.1143","0.122","","","","","","1.096","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204412","10.9898","0.0004","15.7406","0.0007","20.7781","0.0006","90","","90","","90","","3594.3","0.2","295","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl N O9 -","- C33 H48 Cl N O9 -","- C132 H192 Cl4 N4 O36 -","4","1","WN6281","Guo-Bin Zhou; Yong Ni; Peng-Fei Zhang; Yuan-Jiang Pan","4-Chloro-<i>N</i>-(2,3,4,6-tetra-<i>O</i>-pivaloyl-β-<small>D</small>-galactopyranosyl)benzylideneamine","Acta Crystallographica Section E","2004","60","10","o1905","o1906","10.1107/S1600536804023876","","","0.7107","MoKα","","","0.055","","","","0.134","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204413","11.427","0.001","12.042","0.001","12.992","0.002","77.87","0.01","67.73","0.01","81.02","0.01","1611.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,9b-cis-3,9b-trans-2,3-Bis(4-bromophenyl)-2,3,3a,4,5,9b,1',2',3',4'-decahydro- 1H-benzo[e]indene-1-spiro-2'-naphthalene-1',9b-diol acetone solvate","","- C37 H36 Br2 O3 -","- C37 H36 Br2 O3 -","- C74 H72 Br4 O6 -","2","1","WN6283","Daqing Shi; Chunling Shi; Xiangshan Wang; Liangce Rong; Hongwen Hu","2,9b-<i>trans</i>-3,9b-<i>cis</i>-2,3-Bis(4-bromophenyl)-2,3,3a,4,5,9b,1',2',3',4'-decahydro-1<i>H</i>-benzo[<i>e</i>]indene-1-spiro-2'-naphthalene-1',9b-diol acetone solvate","Acta Crystallographica Section E","2004","60","10","o1859","o1861","10.1107/S1600536804023268","","","0.71073","MoKα","","0.1195","0.0361","","","0.0403","0.045","","","","","","0.8","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204414","8.9725","0.0018","10.138","0.002","10.247","0.002","114.92","0.03","100.2","0.03","100.07","0.03","798.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","diacetatobis(3-hydroxypyridine)copper(II)","","- C14 H16 Cu N2 O6 -","- C14 H16 Cu N2 O6 -","- C28 H32 Cu2 N4 O12 -","2","1","WW6268","Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhang, Xian-Fa; Zhao, Hui","A one-dimensional hydrogen-bonding chain of diacetatobis(3-hydroxypyridine)copper(II)","Acta Crystallographica Section E","2004","60","10","m1353","m1355","10.1107/S1600536804021154","","","0.71073","MoKα","","0.0514","0.0389","","","0.1015","0.1076","","","","","","1.059","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204415","11.4645","0.0011","9.8317","0.0009","8.3674","0.0008","90","","98.551","0.002","90","","932.65","0.15","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-dihydroxyborylphenyl)cyclobutanone","","- C10 H11 B O3 -","- C10 H11 B O3 -","- C40 H44 B4 O12 -","4","1","WW6276","Lo, Jem-Mau; Chen, Shyh-Ming; Chen, Mei-Hsun; Chen, Yu-Jen; Liao, Fen-Ling; Lu, Tian-Huey","3-(4-Dihydroxyborylphenyl)cyclobutanone","Acta Crystallographica Section E","2004","60","10","o1851","o1853","10.1107/S1600536804022366","","","0.71073","MoKα","","0.0662","0.0341","","","0.0856","0.1018","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204416","15.975","0.005","9.654","0.003","14.566","0.004","90","","115.752","0.004","90","","2023.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorophenyl)-1-phenyl-3-(p-toluenesulfonylamino)propan-1-one","","- C22 H20 Cl N O3 S -","- C22 H20 Cl N O3 S -","- C88 H80 Cl4 N4 O12 S4 -","4","1","WW6277","Yu, Zhi-Fang; Gu, Xiu-Yan; Zhao, Bing; Sun, Jian-Wei","3-(4-Chlorophenyl)-1-phenyl-3-(<i>p</i>-tolylsulfonylamino)propan-1-one","Acta Crystallographica Section E","2004","60","10","o1728","o1729","10.1107/S1600536804021907","","","0.71073","MoKα","","0.0997","0.049","","","0.1187","0.1482","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204417","13.046","0.005","14.242","0.006","16.289","0.007","90","","95.01","0.04","90","","3015","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichloro{1-[2-(diphenylphosphino-κP)ethyl]-1,3-dihydro-3-(2,4,6- trimethylphenyl)-2H-imidazol-2-ylidene-κC}palladium(II) diethyl ether solvate","","- C30 H37 Cl2 N2 O P Pd -","- C30 H37 Cl2 N2 O P Pd -","- C120 H148 Cl8 N8 O4 P4 Pd4 -","4","1","WW6283","Lee, Hon Man; Chiu, Pei Ling","Dichloro{1-[2-(diphenylphosphino-κ<i>P</i>)ethyl]-1,3-dihydro-3-(2,4,6-trimethylphenyl)-2<i>H</i>-imidazol-2-ylidene-κ<i>C</i>}palladium(II) diethyl ether solvate","Acta Crystallographica Section E","2004","60","10","m1473","m1474","10.1107/S1600536804023086","","","0.71073","MoKα","","0.0485","0.0312","","","0.0704","0.0803","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204418","12.65","0.003","15.488","0.003","8.772","0.002","90","","90","","90","","1718.6","0.7","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3,3-Dibenzylbenzo[b]furan-2(3H)-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","0.5","WW6287","Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang","3,3-Dibenzylbenzo[<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2004","60","10","o1842","o1843","10.1107/S1600536804022846","","","0.71073","MoKα","","0.0933","0.0455","","","0.1286","0.1583","","","","","","0.979","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204419","8.9688","0.0005","10.9081","0.0004","19.8159","0.0011","90","","100.841","0.004","90","","1904.04","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(5-Benzoyl-2-oxo-4-phenyl-1,2-dihydropyrimidin-1-yl)benzamide","","- C24 H17 N3 O3 -","- C24 H17 N3 O3 -","- C96 H68 N12 O12 -","4","1","WW6292","Mehmet Akkurt; Sema Öztürk; Zülbiye Önal; Behzat Altural; Orhan Büyükgüngör","<i>N</i>-(5-Benzoyl-2-oxo-4-phenyl-1,2-dihydropyrimidin-1-yl)benzamide","Acta Crystallographica Section E","2004","60","10","o1844","o1846","10.1107/S1600536804023050","","","0.71073","MoKα","","0.0452","0.0322","","","0.0808","0.0846","","","","","","1.02","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204420","9.212","0.006","7.349","0.002","15.045","0.004","90","","98.52","0.03","90","","1007.3","0.8","301","","301","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N2 O6 -","- C18 H20 Cl2 N2 O6 -","- C36 H40 Cl4 N4 O12 -","2","0.5","WW6295","Hiroyuki Ishida","Bis(3-picolinium) chloranilate dihydrate","Acta Crystallographica Section E","2004","60","10","o1900","o1901","10.1107/S1600536804023256","","","0.71073","MoKα","","0.081","0.038","","","0.09","0.104","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204421","11.3602","0.0004","13.7513","0.0008","16.4755","0.001","104.026","0.001","99.319","0.001","100.192","0.003","2400.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,2'-bipyridine)-1κ^2^N:N';3κ^2^N:N'-tris(μ-α-methylacrylato- 1:2κ^2^O:O')tris(μ-α-methylacrylato-2:3κ^2^O:O')(nitrato- 2κ^2^O:O')dizinc(II)praseodymium(III)","","- C44 H46 N5 O15 Pr Zn2 -","- C44 H46 N5 O15 Pr Zn2 -","- C88 H92 N10 O30 Pr2 Zn4 -","2","1","YA6221","Yue Zhu; Weimin Lu; Fang Chen","Bis(2,2'-bipyridine)-1κ^2^<i>N</i>:<i>N</i>';3κ^2^<i>N</i>:<i>N</i>'-tris(μ-α-methylacrylato-1:2κ^2^<i>O</i>:<i>O</i>')tris(μ-α-methylacrylato-2:3κ^2^<i>O</i>:<i>O</i>')(nitrato-2κ^2^<i>O</i>:<i>O</i>')dizinc(II)praseodymium(III)","Acta Crystallographica Section E","2004","60","10","m1459","m1461","10.1107/S1600536804022779","","","0.71073","MoKα","","0.0367","0.0286","","","0.081","0.0898","","","","","","1.169","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204422","13.438","0.003","3.9893","0.0009","27.727","0.006","90","","99.508","0.004","90","","1466","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2-Chlorophenyl)-N-(4-methoxybenzoyl)thiourea","","- C15 H13 Cl N2 O2 S -","- C15 H13 Cl N2 O2 S -","- C60 H52 Cl4 N8 O8 S4 -","4","1","AC6114","M. Sukeri M. Yusof; Bohari M. Yamin","<i>N</i>-(2-Chlorophenyl)-<i>N</i>'-(4-methoxybenzoyl)thiourea","Acta Crystallographica Section E","2004","60","11","o1998","o1999","10.1107/S1600536804024985","","","0.71073","MoKα","","0.074","0.059","","","0.133","0.14","","","","","","1.19","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204423","11.0517","0.0005","9.3304","0.0004","15.6876","0.0009","90","","116.832","0.001","90","","1443.49","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(9H-fluoren-9-ylidene)-N-(-2-methoxyphenyl)amine","","- C20 H15 N O -","- C20 H15 N O -","- C80 H60 N4 O4 -","4","1","AC6121","Glagovich, Neil M.; Reed, Elizabeth M.; Crundwell, Guy; Updegraff, James B. III; Zeller, Matthias; Hunter, Allen D.","<i>N</i>-(9<i>H</i>-Fluoren-9-ylidene)-<i>N</i>-(-2-methoxyphenyl)amine","Acta Crystallographica Section E","2004","60","11","o2000","o2001","10.1107/S1600536804024018","","","0.71073","MoKα","","0.0535","0.0511","","","0.1365","0.1386","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204424","11.943","0.004","11.944","0.005","9.102","0.003","89.81","0.03","91.89","0.03","75.43","0.03","1255.9","0.8","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cu N2 O2 -","- C30 H28 Cu N2 O2 -","- C60 H56 Cu2 N4 O4 -","2","1","AC6123","Akitsu, Takashiro; Einaga, Yasuaki","Bis[2-(phenethyliminomethyl)phenolato-κ^2^N,O]copper(II)","Acta Crystallographica, Section E: Structure Reports Online","2004","60","11","m1555","m1557","10.1107/S1600536804023736","","","0.7107","MoKα","","","0.0333","","","","0.1041","","","","","","1.01","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204425","7.4772","0.0001","21.9462","0.0004","6.7828","0.0001","90","","102.491","0.001","90","","1086.69","0.03","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(p-Nitrophenoxy)terahydropyran","2-(p-Nitrophenoxy)terahydropyran","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","AC6124","Chopra, Reenu; Ning Shan; Motherwell, W. D. Sam; Jones, William","2-(<i>p</i>-Nitrophenoxy)tetrahydropyran","Acta Crystallographica Section E","2004","60","11","o1923","o1924","10.1107/S1600536804023748","","","0.71069","MoKα","","0.0587","0.0422","","","0.1099","0.1208","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204426","8.7227","0.0013","5.8099","0.0009","18.074","0.003","90","","103.203","0.006","90","","891.7","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-Bromobenzyl)-1,3-diphenylpropane-1,3-dione","","- C22 H17 Br O2 -","- C22 H17 Br O2 -","- C44 H34 Br2 O4 -","2","1","AC6125","Karban, James W.; Aparicio, Michael K.; Palacios, Rene R.; Richardson, Kyle A.; Klausmeyer, Kevin K.","2-(4-Bromobenzyl)-1,3-diphenylpropane-1,3-dione","Acta Crystallographica Section E","2004","60","11","o2043","o2044","10.1107/S1600536804026200","","","0.71073","MoKα","","0.0372","0.0306","","","0.0823","0.085","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204427","11.829","0.009","4.482","0.003","27.91","0.01","90","","91.5","0.05","90","","1479.2","1.6","298","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","0.5","AC6126","Luis Nunez; Jesse D. Brown; Adam M. Donnelly; Christine R. Whitlock; Allison J. Dobson","1,4-Dibenzylpiperazine-2,5-dione","Acta Crystallographica Section E","2004","60","11","o2076","o2078","10.1107/S1600536804026194","","","0.7107","MoKα","","","0.067","","","","0.094","","","","","","1.168","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204428","10.5117","0.0007","13.5401","0.0009","7.4285","0.0005","90","","103.197","0.001","90","","1029.37","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9-Nitroanthracene","9-Nitroanthracene","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","AC6129","Glagovich, Neil M.; Foss, Paul C. D.; Michalewski, Oliver; Reed, Elizabeth M.; Strathearn, Katherine E.; Weiner, Yan F.; Crundwell, Guy; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D.","Redetermination of 9-nitroanthracene at 100K","Acta Crystallographica Section E","2004","60","11","o2125","o2126","10.1107/S1600536804025267","","","0.71073","MoKα","","0.0514","0.0455","","","0.1422","0.1483","","","","","","1.282","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204429","6.5738","0.0006","8.0973","0.0009","9.619","0.0006","104.843","0.007","107.936","0.006","101.842","0.009","447.85","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Iron (II, III) arsenate","Triiron(II) tetrairon (III) hexakisorthoarsenate(V)","","- As6 Fe7 O24 -","- As6 Fe7 O24 -","- As6 Fe7 O24 -","1","0.5","BR6166","Weil, Matthias","Fe^II^~3~Fe^III^~4~(AsO~4~)~6~, the first arsenate adopting the Fe~7~(PO~4~)~6~ structure type","Acta Crystallographica, Section E","2004","60","11","i139","i141","10.1107/S1600536804026182","","","0.71073","MoKα","","0.0239","0.0205","","","0.0475","0.0483","","","","","","1.158","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2204430","10.644","0.002","10.415","0.002","13.736","0.003","90","","91.07","0.03","90","","1522.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(1,10-phenanthroline-κ^2^N,N')cadmium(II)]-μ- imidazole-4,5-dicarboxylato-κ^4^N,O:N,O']","","- C17 H10 Cd N4 O4 -","- C17 H10 Cd N4 O4 -","- C68 H40 Cd4 N16 O16 -","4","1","BR6167","Gao, Shan; Gu, Chang-Sheng; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N,N</i>')cadmium(II)]-μ-imidazole-4,5-dicarboxylato-κ^4^<i>N,O:N,O</i>']","Acta Crystallographica Section E","2004","60","11","m1672","m1674","10.1107/S1600536804026297","","","0.71073","MoKα","","0.0221","0.0199","","","0.0511","0.0518","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204431","9.7563","0.0013","7.71","0.001","22.81","0.003","90","","102.348","0.004","90","","1676.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-oxo-r-2,c-6-diphenylpiperidine-3-carboxylate","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","BT6517","N. Sampath; S. Aravindhan; M. N. Ponnuswamy; M. Nethaji","Methyl 4-oxo-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine-3-carboxylate","Acta Crystallographica Section E","2004","60","11","o2105","o2106","10.1107/S1600536804026224","","","0.71073","MoKα","","0.0548","0.0448","","","0.1279","0.1362","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204432","26.006","0.003","7.3714","0.0006","10.7541","0.0012","90","","106.416","0.008","90","","1977.5","0.4","293","2","296","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(acetylsalicylato-κ^2^O,O')diaquacadmium(II)","bis[2-(acetyloxy)benzoato-κ^2^O,O']diaquacadmium(II)","","- C18 H18 Cd O10 -","- C18 H18 Cd O10 -","- C72 H72 Cd4 O40 -","4","0.5","BT6519","Vásquez-Árciga, Horacio; Pérez-Benítez, Aarón; Álvarez-Hernández, Alejandro; Bernès, Sylvain; Méndez-Rojas, Miguel Angel","Bis(acetylsalicylato-κ^2^<i>O,O</i>')diaquacadmium(II)","Acta Crystallographica Section E","2004","60","11","m1621","m1623","10.1107/S1600536804024717","","","0.71073","MoKα","","0.0218","0.0203","","","0.0544","0.0552","","","","","","1.108","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204433","9.115","0.003","9.271","0.003","11.248","0.003","92","0.02","105.09","0.02","118.82","0.02","789.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-methyl-1-(3-nitrophenacyl)-5,6,7,8-tetrahydroquinolin-2(1H)-one","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","1","BT6531","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","4-Methyl-1-(3-nitrophenacyl)-5,6,7,8-tetrahydroquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","11","o1952","o1953","10.1107/S1600536804024468","","","0.71073","MoKα","","0.1028","0.0495","","","0.1181","0.1288","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204434","11.7771","0.0008","22.6876","0.0012","11.7725","0.0009","90","","116.822","0.005","90","","2807.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(1,3-Benzothiazol-2-yl)-4-(dimethylamino)benzylamine","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C128 H120 N24 S8 -","8","2","BT6532","Hanife Saraçoĝlu; Orhan Büyükgüngör; Ceyda Davran; Serkan Soylu; Hümeyra Batı; Nezihe Çalıs̨kan","<i>N</i>-(1,3-Benzothiazol-2-yl)-4-(dimethylamino)benzylamine","Acta Crystallographica Section E","2004","60","11","o2090","o2092","10.1107/S1600536804026236","","","0.71073","MoKα","","0.0758","0.0354","","","0.068","0.0756","","","","","","0.812","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204435","5.948","0.0003","7.501","0.0004","17.3197","0.001","90","","92.751","0.001","90","","771.84","0.07","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(1-Phenylethyl)iminomethyl]ferrocene","","- C19 H19 Fe N -","- C19 H19 Fe N -","- C38 H38 Fe2 N2 -","2","1","BT6533","Hecht, Elmar","[(1-Phenylethyl)iminomethyl]ferrocene","Acta Crystallographica Section E","2004","60","11","m1593","m1594","10.1107/S1600536804024754","","","0.71073","MoKα","","0.0319","0.0276","","","0.0739","0.0842","","","","","","1.115","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204436","8.7031","0.0008","10.3718","0.001","11.5289","0.0011","116.715","0.002","92.739","0.002","91.216","0.002","927.46","0.15","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","Bis[μ-2-(phenylamido)pyridine]bis{[2-(phenylamino)pyridine]lithium(I)}","","- C44 H38 Li2 N8 -","- C44 H38 Li2 N8 -","- C44 H38 Li2 N8 -","1","0.5","BT6534","Clegg, William; Liddle, Stephen T.","Bis[μ-2-(phenylamido)pyridine]bis{[2-(phenylamino)pyridine]lithium(I)}","Acta Crystallographica Section E","2004","60","11","m1587","m1589","10.1107/S1600536804024766","","","0.71073","MoKα","","0.0607","0.0404","","","0.0956","0.1019","","","","","","0.923","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204437","9.65","0.0003","9.674","0.0002","13.641","0.0004","90","","104.968","0.0014","90","","1230.24","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(η^5^-cyclopentadienyl)bis(thiocyanato-κN)vanadium(IV)","","- C12 H10 N2 S2 V -","- C12 H10 N2 S2 V -","- C48 H40 N8 S8 V4 -","4","1","BT6535","Honzíček, Jan; Erben, Milan; Císařová, Ivana; Vinklárek, Jaromír","Bis(η^5^-cyclopentadienyl)bis(thiocyanato-κ<i>N</i>)vanadium(IV)","Acta Crystallographica Section E","2004","60","11","m1617","m1618","10.1107/S160053680402519X","","","0.71073","MoKα","","0.0363","0.0291","","","0.0615","0.0644","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204438","11.12","0.002","10.529","0.002","16.253","0.003","90","","90","","90","","1902.9","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-aminonaphthalene-2-sulfonic acid","5-ammonio-2-naphthalenesulfonate","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C80 H72 N8 O24 S8 -","8","1","BT6536","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","Zwitterionic 5-amino-2-naphthalenesulfonic acid","Acta Crystallographica Section E","2004","60","11","o2014","o2016","10.1107/S1600536804025206","","","1.5418","CuKα","","0.0417","0.0392","","","0.1026","0.1046","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204439","13.6004","0.0003","8.7668","0.0002","23.544","0.0005","90","","98.493","0.001","90","","2776.41","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Methyl-N-(2-pyridiniomethyl)-2-[N-(2-pyridiniomethyl)methylamino]- N-(2-pyridylmethyl)ethanaminium tris(perchlorate)","","- C22 H30 Cl3 N5 O12 -","- C22 H30 Cl3 N5 O12 -","- C88 H120 Cl12 N20 O48 -","4","1","BT6537","Rompel, Annette; Bond, Andrew D.; McKenzie, Christine J.","<i>N</i>-Methyl-<i>N</i>-(2-pyridiniomethyl)-2-[<i>N</i>-(2-pyridiniomethyl)methylamino]-<i>N</i>-(2-pyridylmethyl)ethanaminium tris(perchlorate)","Acta Crystallographica Section E","2004","60","11","o1987","o1988","10.1107/S1600536804025103","","","0.71073","MoKα","","0.07","0.056","","","0.1446","0.1539","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204440","28.4989","0.0007","9.3347","0.0002","22.7954","0.0005","90","","132.401","0.0008","90","","4478.09","0.18","295","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(1,10-phenanthroline)samarium]-di-μ- 2-hydroxybenzoato-sodium-di-μ-2-hydroxybenzoato]","","- C52 H36 N4 Na O12 Sm -","- C52 H36 N4 Na O12 Sm -","- C208 H144 N16 Na4 O48 Sm4 -","4","0.5","BT6538","Cun-Jin Xu; Hui Yang; Fei Xie; Xing-zhong Guo","<i>catena</i>-Poly[[bis(1,10-phenanthroline)samarium]-di-μ-2-hydroxybenzoato-sodium-di-μ-2-hydroxybenzoato]","Acta Crystallographica Section E","2004","60","11","m1627","m1629","10.1107/S1600536804025346","","","0.7107","MoKα","","","0.021","","","","0.045","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204441","8.8523","0.0006","17.8849","0.001","9.9601","0.0007","90","","99.55","0.008","90","","1555.05","0.18","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Silver(I)bromide-4-methylpyridine","catena-Poly[[(4-methylpyridine-κN)silver(I)]-μ~3~bromo]","","- C6 H7 Ag Br N -","- C6 H7 Ag Br N -","- C48 H56 Ag8 Br8 N8 -","8","2","BT6539","Näther, Christian; Beck, Andreas","Redetermination of <i>catena</i>-Poly[[(4-methylpyridine-κ<i>N</i>)silver(I)]-μ~3~-bromo]","Acta Crystallographica Section E","2004","60","11","m1608","m1610","10.1107/S1600536804025139","","","0.71073","MoKα","","0.0641","0.0318","","","0.0676","0.0783","","","","","","0.925","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204442","16.7315","0.0014","7.037","0.0006","11.708","0.001","90","","107.979","0.002","90","","1311.18","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Isobutyryloxy)propanaminium bromide","","- C10 H22 Br N O2 -","- C10 H22 Br N O2 -","- C40 H88 Br4 N4 O8 -","4","1","BT6540","Flörke, Ulrich; Röder, Thorsten; Kramer, Thomas","3-(Isobutyryloxy)propanaminium bromide","Acta Crystallographica Section E","2004","60","11","o2007","o2008","10.1107/S1600536804025449","","","0.71073","MoKα","","0.0418","0.0259","","","0.0477","0.0494","","","","","","0.844","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204443","12.0496","0.0008","7.0295","0.0005","19.8296","0.0013","90","","100.856","0.001","90","","1649.56","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4'-methoxy-4-methoxycarbonyl-2,6-dinitrostilbene","methyl 4-(4-methoxybenzylidenemethyl)-3,5-dinitrobenzoate","","- C17 H14 N2 O7 -","- C17 H14 N2 O7 -","- C68 H56 N8 O28 -","4","1","BT6541","P. G. Aravindan; S. Selvanayagam; D. Velmurugan; K. Ravikumar; S. Saravanan; P. C. Srinivasan","Methyl 4-(4-methoxybenzylidenemethyl)-3,5-dinitrobenzoate","Acta Crystallographica Section E","2004","60","11","o2053","o2055","10.1107/S1600536804025875","","","0.71073","MoKα","","0.0626","0.0463","","","0.1326","0.1451","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204444","12.369","0.0008","8.305","0.0006","13.9204","0.0009","90","","115.013","0.001","90","","1295.85","0.15","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Dichlorobis[pyrimidine-2(1H)-thione-κN^1^]cobalt(II)","","- C8 H8 Cl2 Co N4 S2 -","- C8 H8 Cl2 Co N4 S2 -","- C32 H32 Cl8 Co4 N16 S8 -","4","0.5","BT6542","Shi, Wen-Juan; Li, Dan; Ng, Seik Weng","<i>trans</i>-Dichlorobis[pyrimidine-2(1<i>H</i>)-thione-κ<i>N</i>]cobalt(II)","Acta Crystallographica Section E","2004","60","11","m1664","m1665","10.1107/S1600536804025887","","","0.71073","MoKα","","0.028","0.026","","","0.069","0.071","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204445","14.6795","0.001","14.6795","0.001","7.5114","0.0004","90","","90","","120","","1401.76","0.15","170","2","170","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","Chlorotris(3-methylpyridine-κN)silver(I)","","- C18 H21 Ag Cl N3 -","- C18 H21 Ag Cl N3 -","- C54 H63 Ag3 Cl3 N9 -","3","0.166667","BT6543","Näther, Christian; Beck, Andreas","Chlorotris(3-methylpyridine-κ<i>N</i>)silver(I)","Acta Crystallographica Section E","2004","60","11","m1678","m1680","10.1107/S1600536804026121","","","0.71073","MoKα","","0.0295","0.0285","","","0.0676","0.0683","","","","","","1.089","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204446","8.6832","0.0007","9.4024","0.0008","10.7392","0.0009","81.761","0.007","73.297","0.007","69.777","0.006","787.07","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(3-Bromobenzylideneamino)-3-(4-chlorobenzyl)-4,5-dihydro-1H-1,2,4-triazol- 5-one","","- C16 H12 Br Cl N4 O -","- C16 H12 Br Cl N4 O -","- C32 H24 Br2 Cl2 N8 O2 -","2","1","BT6544","Atalay,Şehriman; Yavuz, Metin; Kahveci, Bahittin; Ağar, Erbil; Şaşmaz, Selami","4-(3-Bromobenzylideneamino)-3-(4-chlorobenzyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one","Acta Crystallographica Section E","2004","60","11","o2119","o2121","10.1107/S1600536804026601","","","0.71073","MoKα","","0.0435","0.0317","","","0.0733","0.0765","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204447","8.5598","0.0006","9.6111","0.0005","17.9319","0.0009","90","","100.364","0.004","90","","1451.17","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Amino-4-(methylsulfanyl)-2-oxo-1-tolyl-1,2-dihydropyridine-3,5-dicarbonitrile","","- C15 H12 N4 O S -","- C15 H12 N4 O S -","- C60 H48 N16 O4 S4 -","4","1","BT6546","Elgemeie, Galal H.; Jones, Peter G.","6-Amino-4-(methylsulfanyl)-2-oxo-1-tolyl-1,2-dihydropyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2004","60","11","o2107","o2109","10.1107/S1600536804026285","","","0.71073","MoKα","","0.0418","0.0328","","","0.0856","0.089","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204448","9.5358","0.0007","10.711","0.0008","12.2233","0.0009","65.862","0.001","68.36","0.001","80.33","0.001","1058.79","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","[4'-(4-Pyridyl)-2,2':6',2''-terpyridine-κ^3^N,N',N'']dithiocyanatozinc(II)","","- C22 H14 N6 S2 Zn -","- C22 H14 N6 S2 Zn -","- C44 H28 N12 S4 Zn2 -","2","1","BT6548","Lei, Hou; Li, Dan; Ng, Seik Weng","[4'-(4-Pyridyl)-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']dithiocyanatozinc(II)","Acta Crystallographica Section E","2004","60","11","m1734","m1735","10.1107/S1600536804026595","","","0.71073","MoKα","","0.05","0.041","","","0.105","0.11","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204449","16.5624","0.0012","5.629","0.0003","16.3266","0.0014","90","","112.61","0.004","90","","1405.14","0.18","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(4-Ethoxybenzyl)indan","","- C18 H20 O -","- C18 H20 O -","- C72 H80 O4 -","4","1","BT6549","Turner, Alan B.; Harrison, William T. A.","2-(4-Ethoxybenzyl)indan","Acta Crystallographica Section E","2004","60","11","o2138","o2139","10.1107/S1600536804026492","","","0.71073","MoKα","","0.1967","0.0891","","","0.1656","0.2107","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204450","10.1017","0.0011","10.276","0.0012","20.187","0.002","90","","95.278","0.002","90","","2086.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8a,13b-cis-8,8,13-Trimethyl-11-phenyl-8,8a,9,13b- tetrahydropyrazolo[3'',4''-b']thiapyrano[5',4':3,4]pyrano[5,6-c]coumarin","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","BT6550","S. Selvanayagam; D. Velmurugan; K. Ravikumar; S. Narasinga Rao; J. Jayashankaran; R. Rathna Durga; R. Raghunathan","8a,13b-<i>cis</i>-8,8,13-Trimethyl-11-phenyl-8,8a,9,13b-tetrahydropyrazolo[3'',4''-<i>b</i>']thiapyrano[5',4':3,4]pyrano[5,6-<i>c</i>]coumarin","Acta Crystallographica Section E","2004","60","11","o2155","o2156","10.1107/S1600536804026674","","","0.71073","MoKα","","0.1141","0.0838","","","0.1794","0.1944","","","","","","1.157","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204451","13.0966","0.0012","8.6225","0.0008","15.7306","0.0014","90","","100.045","0.001","90","","1749.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3'-(2-Chlorophenyl)-1'-methyl-4'nitrospiro[indan-2, 2'-pyrrolidine]-1,3-dione","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","BT6551","S. Selvanayagam; D. Velmurugan; K. Ravikumar; S. Narasinga Rao; M. Poornachandran; R. Raghunathan","3'-(2-Chlorophenyl)-1'-methyl-4'nitrospiro[indan-2,2'-pyrrolidine]-1,3-dione","Acta Crystallographica Section E","2004","60","11","o2157","o2159","10.1107/S1600536804026686","","","0.71073","MoKα","","0.0427","0.0405","","","0.1006","0.1023","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204452","6.8598","0.0006","10.3438","0.0009","21.1315","0.0018","90","","95.718","0.002","90","","1492","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O4 S -","- C16 H12 N2 O4 S -","- C64 H48 N8 O16 S4 -","4","1","BV6003","Xian-Zhong Sun; Ming-Hua Zeng; Bao-Hui Ye","Linear chains in the 1:1 complex of thiophene-2,5-dicarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section E","2004","60","11","o2103","o2104","10.1107/S160053680402639X","","","0.71073","MoKα","","0.0673","0.0549","","","0.1365","0.1448","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204453","5.0974","0.001","22.414","0.005","6.5617","0.0013","90","","111.87","0.03","90","","695.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N^3^,O^4^)zinc(II)","","- C10 H10 N4 O10 Zn -","- C10 H10 N4 O10 Zn -","- C20 H20 N8 O20 Zn2 -","2","0.5","BV6004","Liu, Ji-Wei; Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Hui; Zhao, Jing-Gui","Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)zinc(II)","Acta Crystallographica Section E","2004","60","11","m1697","m1699","10.1107/S1600536804026388","","","0.71073","MoKα","","0.026","0.0229","","","0.0623","0.0638","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204454","6.1269","0.0002","14.6159","0.0005","12.6541","0.0004","90","","103.228","0.002","90","","1103.11","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chlorobenzoic acid N,N-dimethylformamide solvate","","- C10 H12 Cl N O3 -","- C10 H12 Cl N O3 -","- C40 H48 Cl4 N4 O12 -","4","1","CF6379","Xu, Xuelian; Kennedy, Alan R.; Florence, Alastair J.; Shankland, Norman","4-Chlorobenzoic acid <i>N,N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2004","60","11","o1950","o1951","10.1107/S1600536804024511","","","0.71073","MoKα","","0.0462","0.0346","","","0.0809","0.0864","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204455","7.542","0.002","21.22","0.005","9.478","0.002","90","","95.836","0.004","90","","1509","0.6","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5- benzenetetracarboxylato]","","- C34 H22 Co2 N4 O10 -","- C34 H22 Co2 N4 O10 -","- C68 H44 Co4 N8 O20 -","2","0.5","CF6381","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5-benzenetetracarboxylato]","Acta Crystallographica Section E","2004","60","11","m1716","m1718","10.1107/S1600536804026765","","","0.71073","MoKα","","0.1071","0.0739","","","0.1757","0.1946","","","","","","1.081","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204456","12.0231","0.0012","14.269","0.003","14.559","0.003","90","","90","","90","","2497.7","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tris(ethylenediamine-κ^2^N,N')zinc(II) bis[2,3-dimercaptobutenedinitrile(2-)-κ^2^S,S']zincate(II)","","- C14 H24 N10 S4 Zn2 -","- C14 H24 N10 S4 Zn2 -","- C56 H96 N40 S16 Zn8 -","4","0.5","CF6385","Fu, Ai-Yun; Wang, Da-Qi; Yu, Tao","Tris(ethylenediamine-κ^2^<i>N,N</i>')zinc(II) bis[2,3-dimercaptobutenedinitrile(2‒)-κ^2^<i>S,S</i>']zincate(II)","Acta Crystallographica Section E","2004","60","11","m1736","m1737","10.1107/S160053680402714X","","","0.71073","MoKα","","0.0969","0.0541","","","0.1257","0.1381","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204457","15.597","0.009","5.509","0.004","12.648","0.007","90","","95.06","0.02","90","","1082.5","1.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","Diaquabis(3-hydroxynaphthalene-2-carboxylato-κO)zinc(II)","","- C22 H18 O8 Zn -","- C22 H18 O8 Zn -","- C44 H36 O16 Zn2 -","2","0.5","CI6447","Deng, Bing; Liu, Zhao-Di; Liu, Xiu-Ying; Tan, Min-Yu; Zhu, Hai-Liang","Diaquabis(3-hydroxynaphthalene-2-carboxylato-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2004","60","11","m1568","m1569","10.1107/S1600536804023669","","","0.71073","MoKα","","0.084","0.0569","","","0.1399","0.1577","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204458","4.9184","0.0008","23.655","0.004","10.6092","0.0017","90","","101.556","0.003","90","","1209.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2'-(2-Fluorobenzylidene)-2-hydroxybenzohydrazide","","- C14 H11 F N2 O2 -","- C14 H11 F N2 O2 -","- C56 H44 F4 N8 O8 -","4","1","CI6453","Jian-Guo Yang; Fu-You Pan","2'-(2-Fluorobenzylidene)-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2004","60","11","o2009","o2010","10.1107/S1600536804024614","","","0.71073","MoKα","","0.0667","0.0536","","","0.1329","0.1422","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204459","8.781","0.002","8.845","0.002","10.171","0.002","90","","101.34","0.03","90","","774.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-aminomethylpyridine-κ^2^N,N')dinitratoiron(II)","","- C12 H16 Fe N6 O6 -","- C12 H16 Fe N6 O6 -","- C24 H32 Fe2 N12 O12 -","2","0.5","CI6455","Chen, Guang; Yu-Xi Sun; Min Sun; Wei Qi","Bis[2-(aminomethyl)pyridine-κ^2^<i>N</i>,<i>N</i>']dinitratoiron(II)","Acta Crystallographica Section E","2004","60","11","m1547","m1549","10.1107/S1600536804024183","","","0.71073","MoKα","","0.1295","0.0774","","","0.1565","0.1792","","","","","","0.952","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204460","30.614","0.006","8.4578","0.0017","7.7462","0.0015","90","","90","","90","","2005.7","0.7","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","[N,N'-Bis(2-oxido-1-naphthylmethylene)propane-1,3-diamine]copper(II)","","- C25 H20 Cu N2 O2 -","- C25 H20 Cu N2 O2 -","- C100 H80 Cu4 N8 O8 -","4","0.5","CI6456","Chen, Guang","[<i>N</i>,<i>N</i>'-Bis(2-oxido-1-naphthylmethylene)propane-1,3-diamine]copper(II)","Acta Crystallographica Section E","2004","60","11","m1550","m1551","10.1107/S1600536804024195","","","0.71073","MoKα","","0.0524","0.0473","","","0.1192","0.1235","","","","","","1.012","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204461","7.913","0.002","11.192","0.002","11.438","0.003","64.8","0.02","82.26","0.03","77.32","0.03","893.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hemi(4,4'-bipyridylium) hydrogen 2,2'-dithiodibenzoate monohydrate","","- C38 H32 N2 O10 S4 -","- C38 H32 N2 O10 S4 -","- C38 H32 N2 O10 S4 -","1","0.5","CI6457","Hu, Rui-Feng; Wen, Yi-Hang; Zhang, Jian; Li, Zhao-Ji; Yao, Yuan-Gen","4,4'-Bipyridylium bis(hydrogen 2,2'-dithiodibenzoate) dihydrate","Acta Crystallographica Section E","2004","60","11","o2029","o2031","10.1107/S1600536804025565","","","0.71073","MoKα","","","0.0579","","","0.1459","0.186","","","","","","1.156","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204462","4.8087","0.0017","12.043","0.004","18.481","0.006","90","","91.16","0.008","90","","1070","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1H-benzotriazol-1-ylmethyl))benzene tetrahydrate","","- C20 H24 N6 O4 -","- C20 H24 N6 O4 -","- C40 H48 N12 O8 -","2","0.5","CI6458","Yue-Peng Cai; Guo-Bi Li; Guang-Ping He; Cheng-Yong Su; An-Wu Xu; Chi Zhang","1,4-Bis(1<i>H</i>-benzotriazol-1-ylmethyl)benzene tetrahydrate","Acta Crystallographica Section E","2004","60","11","o2062","o2064","10.1107/S1600536804026157","","","0.71073","MoKα","","0.1399","0.0688","","","0.1876","0.2277","","","","","","0.888","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204463","9.4266","0.0019","9.938","0.002","15.347","0.003","88.9","0.03","86.63","0.03","70.37","0.03","1351.8","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","5-(4-Methoxyphenyl)-1-phenyl-3-hydroxy-1H-pyrazole","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","2","CI6459","Zhu, Hong-Jun; Wang, Dan-Dan; Ma, Ji","3-Hydroxy-5-(4-methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2004","60","11","o2144","o2146","10.1107/S1600536804026789","","","0.71073","MoKα","","0.0962","0.0531","","","0.1155","0.1379","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204464","16.334","0.002","16.334","0.002","13.975","0.002","90","","90","","90","","3728.5","0.8","294","2","294","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","9-[4-(1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxoacridin- 9-yl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine- 1,8-dione dihydrate","","- C40 H52 N2 O6 -","- C40 H52 N2 O6 -","- C160 H208 N8 O24 -","4","0.5","CI6460","Chang-Sheng Yao; Chen-Xia Yu; Shu-Jiang Tu; Da-Qing Shi; Xiang-Shan Wang","9-[4-(1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxoacridin-9-yl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine-1,8-dione dihydrate","Acta Crystallographica Section E","2004","60","11","o2022","o2024","10.1107/S1600536804025462","","","0.71073","MoKα","","0.1334","0.0591","","","0.1372","0.16","","","","","","0.809","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204465","12.42","0.002","12.999","0.002","15.18","0.003","90","","107.245","0.003","90","","2340.6","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrapyridinedithiocyanatocopper(II)","","- C22 H20 Cu N6 S2 -","- C22 H20 Cu N6 S2 -","- C88 H80 Cu4 N24 S8 -","4","0.5","CI6461","Li, Zong-Xiao; Zhang, Xin-Li","Tetrapyridinedithiocyanatocopper(II)","Acta Crystallographica Section E","2004","60","11","m1597","m1598","10.1107/S160053680402495X","","","0.71073","MoKα","","0.0497","0.0449","","","0.1415","0.1456","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204466","18.23","0.003","18.23","0.003","8.531","0.002","90","","90","","90","","2835.1","0.9","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Tetrakis{μ-1-[2-(2-oxidoethylamino)ethyliminomethyl]-2- naphtholato}tetrazinc(II)","","- C60 H64 N8 O8 Zn4 -","- C60 H64 N8 O8 Zn4 -","- C120 H128 N16 O16 Zn8 -","2","0.25","CI6463","You, Zhong-Lu; Ma, Ji-Long; Zhu, Hai-Liang; Liu, Wei-Sheng","Tetrakis{μ-1-[2-(2-oxidoethylamino)ethyliminomethyl]-2-naphtholato}tetrazinc(II)","Acta Crystallographica Section E","2004","60","11","m1599","m1601","10.1107/S1600536804024997","","","0.71073","MoKα","","0.0557","0.0421","","","0.0993","0.1039","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204467","14.1794","0.0015","8.6881","0.0009","13.2708","0.0013","90","","90","","90","","1634.9","0.3","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9-(4-Methoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","CI6464","Cheng Guo; Shujiang Tu; Tuanjie Li; Songlei Zhu","9-(4-Methoxyphenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2004","60","11","o2035","o2037","10.1107/S1600536804025796","","","0.7107","MoKα","","0.0491","0.0439","","","0.0928","0.0953","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204468","10.046","0.005","21.735","0.01","7.189","0.003","90","","131.879","0.004","90","","1168.7","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diamminesilver(I) picrate","","- C6 H8 Ag N5 O7 -","- C6 H8 Ag N5 O7 -","- C24 H32 Ag4 N20 O28 -","4","0.5","CI6465","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","Diamminesilver(I) picrate","Acta Crystallographica Section E","2004","60","11","m1624","m1626","10.1107/S1600536804025425","","","0.71073","MoKα","","0.0303","0.0266","","","0.0685","0.0718","","","","","","1.102","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204469","6.8876","0.0001","13.9289","0.0001","16.5396","0.0005","90","","95.146","0.003","90","","1580.36","0.05","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Bis(2,4-dinitrophenoxy)ethane","","- C14 H10 N4 O10 -","- C14 H10 N4 O10 -","- C56 H40 N16 O40 -","4","0.5","CI6466","P. G. Aravindan; S. Selvanayagam; D. Velmurugan; K. Ravikumar; S. Saravanan; P. C. Srinivasan","1,2-Bis(2,4-dinitrophenoxy)ethane","Acta Crystallographica Section E","2004","60","11","o2056","o2058","10.1107/S1600536804025577","","","0.71073","MoKα","","0.0539","0.0482","","","0.14","0.1477","","","","","","1.009","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204470","10.617","0.0008","6.0354","0.0005","23.0654","0.0017","90","","101.649","0.001","90","","1447.54","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","S-p-Tolyl 3-methanesulfonyl-2-oxoimidazolidine-1-carbothioate","","- C12 H14 N2 O4 S2 -","- C12 H14 N2 O4 S2 -","- C48 H56 N8 O16 S8 -","4","1","CI6469","Xian-Rui Liang; Jian-Hua Chen; Wen Feng; Wei-Ke Su; Wei-Rong Chen","<i>S</i>-<i>p</i>-Tolyl 3-methanesulfonyl-2-oxoimidazolidine-1-carbothioate","Acta Crystallographica Section E","2004","60","11","o2115","o2116","10.1107/S1600536804026376","","","0.71073","MoKα","","0.0551","0.0475","","","0.1116","0.1165","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204471","3.8051","0.0017","11.852","0.005","13.903","0.006","90","","95.035","0.007","90","","624.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Fluoro-4-hydroxybenzonitrile","","- C7 H4 F N O -","- C7 H4 F N O -","- C28 H16 F4 N4 O4 -","4","1","CV6381","Song, Xiu-Yan; Dong, Xiao-Hong; Zhang, Shu-Sheng; Li, Xue-Mei; Wen, Yong-Hong; Zhong, Hui-Min","2-Fluoro-4-hydroxybenzonitrile","Acta Crystallographica Section E","2004","60","11","o1919","o1920","10.1107/S1600536804024250","","","0.71073","MoKα","","0.0395","0.0342","","","0.094","0.0985","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204472","7.257","0.0007","12.0869","0.0011","14.4455","0.0011","90","","93.465","0.002","90","","1264.77","0.19","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Nitrobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","CV6384","Shang Shan; Xiao-Juan Wang; Wei-Xiao Hu; Duan-Jun Xu","2-Nitrobenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section E","2004","60","11","o1954","o1956","10.1107/S1600536804024572","","","0.71073","MoKα","","0.049","0.038","","","0.096","0.101","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204473","14.964","0.002","6.09","0.0008","15.754","0.002","90","","108.387","0.002","90","","1362.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]thiosemicarbazide","","- C12 H14 F3 N3 S -","- C12 H14 F3 N3 S -","- C48 H56 F12 N12 S4 -","4","1","CV6385","Chopra, Deepak; Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","4-(2-Methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]thiosemicarbazide","Acta Crystallographica Section E","2004","60","11","o2017","o2018","10.1107/S1600536804025322","","","0.71073","MoKα","","0.1254","0.0763","","","0.2227","0.249","","","","","","0.906","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2204474","9.088","0.0004","10.2194","0.0005","26.51","0.0013","90","","90","","90","","2462.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Deoxy-1,2:3,4-di-O-isopropylidene-α-D-galacto-heptodialdo-1,5- pyranose diphenyl dithioacetal","","- C25 H30 O5 S2 -","- C25 H30 O5 S2 -","- C100 H120 O20 S8 -","4","1","CV6386","Weaver, Travis D.; Norris, Peter; Zeller, Matthias","6-Deoxy-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-<i>galacto</i>-heptodialdo-1,5-pyranose diphenyl dithioacetal","Acta Crystallographica Section E","2004","60","11","o2113","o2114","10.1107/S1600536804025097","","","0.71073","MoKα","","0.0455","0.0452","","","0.1065","0.1066","","","","","","1.367","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204475","7.224","0.0014","9.565","0.0019","33.245","0.007","90","","95.22","0.03","90","","2287.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(2,6-Dimethylphenyl)aminocarbonylmethyl]- 4-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine","","- C23 H26 N6 O4 -","- C23 H26 N6 O4 -","- C92 H104 N24 O16 -","4","1","CV6388","Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang","1-[(2,6-Dimethylphenyl)aminocarbonylmethyl]-4-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine","Acta Crystallographica Section E","2004","60","11","o2041","o2042","10.1107/S1600536804025656","","","0.71073","MoKα","","0.1813","0.0702","","","0.1818","0.2286","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204476","9.7793","0.0004","11.3997","0.0004","19.147","0.0007","90","","90","","90","","2134.53","0.14","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-butyl-16,17a-dioxo-17-aza-D-homoestra-1,3,5(10)-trien-3-yl acetate","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C96 H124 N4 O16 -","4","1","CV6389","Hema, R.; Parthasarathi, V.; Ranju Gupta; Linden, Anthony","17-Butyl-16,17a-dioxo-17-aza-<small>D</small>-homoestra-1,3,5(10)-trien-3-yl acetate","Acta Crystallographica Section E","2004","60","11","o2002","o2004","10.1107/S1600536804025061","","","0.71073","MoKα","","0.0664","0.0457","","","0.11","0.1236","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204477","10.659","0.005","12.768","0.006","6.556","0.003","90","","90","","90","","892.2","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Cesium(I) hydrogen phthalate","","- C8 H5 Cs O4 -","- C8 H5 Cs O4 -","- C32 H20 Cs4 O16 -","4","1","CV6390","Mancheng Hu; Chunyu Geng; Shuni Li; Zhihong Liu; Yucheng Jiang; Guofang Zhang","Caesium(I) hydrogen phthalate","Acta Crystallographica Section E","2004","60","11","m1713","m1715","10.1107/S1600536804026479","","","0.71073","MoKα","","0.0287","0.0268","","","0.0719","0.0734","","","","","","1.007","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204478","9.4395","0.0018","26.225","0.005","9.8059","0.0019","90","","98.954","0.003","90","","2397.9","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N-Ethyl-N-propyldithiocarbamato)triphenyltin(IV)","","- C24 H27 N S2 Sn -","- C24 H27 N S2 Sn -","- C96 H108 N4 S8 Sn4 -","4","1","CV6391","Sanuddin, M.; Farina, Yang; Yamin, Bohari M.","(<i>N</i>-Ethyl-<i>N</i>-propyldithiocarbamato)triphenyltin(IV)","Acta Crystallographica Section E","2004","60","11","m1662","m1663","10.1107/S1600536804025784","","","0.71073","MoKα","","0.032","0.028","","","0.061","0.063","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204479","9.728","0.003","8.064","0.003","15.746","0.005","90","","94.492","0.006","90","","1231.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,2-Bipyridine N,N'-dioxide-κ^2^O,O')dichloromercury(II)","","- C10 H8 Cl2 Hg N2 O2 -","- C10 H8 Cl2 Hg N2 O2 -","- C40 H32 Cl8 Hg4 N8 O8 -","4","1","CV6392","Tedmann, Onyango M.; Zavalij, Peter Y.; Madan, Stanley K.; Oliver, Scott R. J.","(2,2-Bipyridine <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>,<i>O</i>')dichloromercury(II)","Acta Crystallographica Section E","2004","60","11","m1706","m1707","10.1107/S1600536804026261","","","0.71073","MoKα","","0.1015","0.0542","","","0.1159","0.1355","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204480","21.1482","0.0013","9.9476","0.0012","11.973","0.0008","90","","112.69","0.002","90","","2323.9","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(3-methylbenzoato-κ^2^O,O')(phenanthroline-κ^2^N,N')copper(II)","","- C28 H22 Cu N2 O4 -","- C28 H22 Cu N2 O4 -","- C112 H88 Cu4 N8 O16 -","4","0.5","CV6393","Xu, Tu-Gen; Xu, Duan-Jun","Bis(3-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')(phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2004","60","11","m1650","m1652","10.1107/S1600536804025759","","","0.71073","MoKα","","0.049","0.037","","","0.087","0.091","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204481","9.7007","0.0009","20.774","0.002","8.9149","0.0009","90","","90","","90","","1796.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(S)-(-)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetramethyl-4,4'-bi- 1,3-benzodioxole","","- C42 H36 O4 P2 -","- C42 H36 O4 P2 -","- C84 H72 O8 P4 -","2","0.5","CV6394","Jiang Cheng; Yan-Hui Sun; Yi Pan; Jian-Hua Xu","(<i>S</i>)-(‒)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-benzodioxole","Acta Crystallographica Section E","2004","60","11","o2133","o2134","10.1107/S1600536804026510","","","0.71073","MoKα","","0.0394","0.0345","","","0.0789","0.0809","","","","","","0.989","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204482","7.7618","0.0012","7.7618","0.0012","24.35","0.0017","90","","90","","90","","1467","0.3","295","2","295","2","","","","","","","","4","P 41","P 4w","76","","3,4-Dimethoxybenzaldehyde 4-nitrophenylhydrazone","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","CV6396","Shang Shan; Wei-Xiao Hu; Duan-Jun Xu","3,4-Dimethoxybenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section E","2004","60","11","o2059","o2061","10.1107/S1600536804026145","","","0.71073","MoKα","","0.054","0.041","","","0.082","0.087","","","","","","1.131","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204483","12.587","0.003","21.037","0.005","12.738","0.003","90","","90.907","0.005","90","","3372.5","1.4","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2'-[1-(5-Bromo-2- oxidophenyl)ethylidene]benzohydrazidato(2-)}tris(pyridine)nickel(II)] pyridine solvate","","- C35 H30 Br Cl N6 Ni O2 -","- C35 H30 Br Cl N6 Ni O2 -","- C140 H120 Br4 Cl4 N24 Ni4 O8 -","4","1","CV6397","Ali, Hapipah M.; Khamis, Nur Ashikin; Yamin, Bohari M.","{2'-[1-(5-Bromo-2-oxidophenyl)ethylidene]benzohydrazidato(2‒)}tris(pyridine)nickel(II)] pyridine solvate","Acta Crystallographica Section E","2004","60","11","m1708","m1709","10.1107/S1600536804026522","","","0.71073","MoKα","","0.1083","0.0588","","","0.1175","0.1369","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204484","10.776","0.002","13.283","0.003","20.89","0.004","90","","90","","90","","2990.1","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[(2,2'-bipyridine-κ^2^N,N')cadmium(II)]-μ-5-carboxyimidazole- 4-carboxylato-κ^4^N^3^,O^4^:N^1^,O^5^]","","- C15 H10 Cd N4 O4 -","- C15 H10 Cd N4 O4 -","- C120 H80 Cd8 N32 O32 -","8","1","CV6398","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^1^,<i>O</i>^5^]","Acta Crystallographica Section E","2004","60","11","m1728","m1730","10.1107/S1600536804026844","","","0.71073","MoKα","","0.0211","0.0189","","","0.0533","0.0543","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204485","13.131","0.003","9.942","0.002","15.031","0.003","90","","112.47","0.03","90","","1813.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Methanol-κO)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato(2-)-κ^3^O,O',N]dioxomolybdenum(VI)","","- C17 H18 Mo N2 O7 -","- C17 H18 Mo N2 O7 -","- C68 H72 Mo4 N8 O28 -","4","1","CV6399","Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui","(Methanol-κ<i>O</i>)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato(2‒)-κ^3^<i>O</i>,<i>O</i>',<i>N</i>]dioxomolybdenum(VI)","Acta Crystallographica Section E","2004","60","11","m1731","m1733","10.1107/S1600536804026856","","","0.71073","MoKα","","0.0314","0.0277","","","0.0718","0.0736","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204486","26.29","0.002","14.445","0.002","15.568","0.002","90","","107.3","0.03","90","","5644.6","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(N-Hydroxy-N-phenylbenzamidato-κ^2^O,O')[3-methoxysalicylaldehyde (2,4-dichlorophenoxyacetyl)hydrazonato-κ^3^O,N,O']oxovanadium(V)","","- C29 H22 Cl2 N3 O7 V -","- C29 H22 Cl2 N3 O7 V -","- C232 H176 Cl16 N24 O56 V8 -","8","1","CV6400","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","(<i>N</i>-Hydroxy-<i>N</i>-phenylbenzamidato-κ^2^<i>O</i>,<i>O</i>')[3-methoxysalicylaldehyde (2,4-dichlorophenoxyacetyl)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']oxovanadium(V)","Acta Crystallographica Section E","2004","60","11","m1722","m1724","10.1107/S1600536804026741","","","0.71073","MoKα","","0.0558","0.0424","","","0.1067","0.1145","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204487","10.267","0.002","7.011","0.001","26.352","0.003","90","","93.94","0.01","90","","1892.4","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-6-methoxy-4-(4-methoxyphenyl)-9,10-dihydro-4H-benzo[f]chromene- 3-carbonitrile","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","DN6161","Yu, Chen-Xia; Shi, Da-Qing; Wang, Xiang-Shan; Zhuang, Qi-Ya","2-Amino-6-methoxy-4-(4-methoxyphenyl)-9,10-dihydro-4<i>H</i>-benzo[<i>f</i>]chromene-3-carbonitrile","Acta Crystallographica Section E","2004","60","11","o1928","o1930","10.1107/S1600536804024274","","","0.71073","MoKα","","0.0765","0.0391","","","0.0835","0.0921","","","","","","0.854","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204488","10.373","0.003","8.037","0.003","8.077","0.003","90","","98.86","0.03","90","","665.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,3-Pentamethylenediaziridine","3,3-Pentamethylenediaziridine","","- C6 H12 N2 -","- C6 H12 N2 -","- C24 H48 N8 -","4","1","DN6163","Charette, André B.; Legault, Claude; Bélanger-Gariépy, Francine","3,3-Pentamethylenediaziridine","Acta Crystallographica Section E","2004","60","11","o1921","o1922","10.1107/S1600536804023888","","","1.54178","CuKα","","0.0476","0.0342","","0.0919","","0.0878","","","0.896","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204489","11.1774","0.0008","11.2461","0.0008","29.072","0.002","90","","90","","90","","3654.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 N O10 -","- C33 H49 N O10 -","- C132 H196 N4 O40 -","4","1","DN6165","Guo-Bin Zhou; Peng-Fei Zhang; Yuan-Jiang Pan","2-Hydroxy-<i>N</i>-(2,3,4,6-tetra-<i>O</i>-pivaloyl-β-<small>D</small>-glucopyranosyl)benzylideneamine","Acta Crystallographica Section E","2004","60","11","o1959","o1960","10.1107/S1600536804024602","","","0.71073","MoKα","","0.0902","0.0473","","","0.0973","0.1098","","","","","","0.871","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204490","14.782","0.003","17.431","0.003","10.425","0.002","90","","124.16","0.03","90","","2222.7","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","μ-Chloro-μ-hydrido-bis[chloro(η^6^-p-cymene)ruthenium(II)](Ru—Ru)","","- C20 H29 Cl3 Ru2 -","- C20 H29 Cl3 Ru2 -","- C80 H116 Cl12 Ru8 -","4","0.5","DN6166","Therrien, Bruno; Frein, Stéphane; Süss-Fink, Georg","μ-Chloro-μ-hydrido-bis[chloro(η^6^-<i>p</i>-cymene)ruthenium(II)](<i>Ru{—</i>Ru}): a second polymorph","Acta Crystallographica Section E","2004","60","11","m1666","m1668","10.1107/S1600536804025899","","","0.71073","MoKα","","0.0308","0.0216","","","0.0473","0.0487","","","","","","0.919","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204491","3.9367","0.0005","20.461","0.003","10.0799","0.0013","90","","94.512","0.002","90","","809.41","0.19","100","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-Ethynylphenyl)methoxymethanimine","(4-Ethynylphenyl)methoxymethanimine","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","FL6119","Archan Dey; Rahul Banerjee","(4-Ethynylphenyl)methoxymethanimine","Acta Crystallographica Section E","2004","60","11","o2117","o2118","10.1107/S1600536804024808","","","0.71073","MoKα","","0.0498","0.0426","","","0.1072","0.1116","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204492","7.5924","0.0007","8.6639","0.0008","21.7191","0.0019","90","","107.396","0.002","90","","1363.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-Anisolecarbonitrile","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","FL6120","Lesley, M. J. Gerald; Pineau, Mark R.; Hunter, Allen D.; Zeller, Matthias","<i>p</i>-Anisolecarbonitrile","Acta Crystallographica Section E","2004","60","11","o1937","o1938","10.1107/S1600536804022913","","","0.71073","MoKα","","0.0466","0.043","","","0.112","0.1147","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204493","15.3472","0.0011","19.652","0.0014","36.444","0.003","90","","91.8281","0.0017","90","","10986","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ALPOP","Tris[2-(2-hydroxyphenyl)-5-phenyl-1,3,4-oxadiazolato]aluminium","","- C42 H27.33 Al N6 O6.167 -","- C42 H27.3333 Al N6 O6.16667 -","- C504 H328 Al12 N72 O74 -","12","3","FL6121","Alice Dawson; Jia-Fu Wang; Michael D. Carducci; Eugene A. Mash","Tris[2-(2-oxidophenyl)-5-phenyl-1,3,4-oxadiazole-κ^2^<i>O</i>^2^,<i>N</i>^3^]aluminium 0.167-hydrate","Acta Crystallographica Section E","2004","60","11","m1644","m1646","10.1107/S1600536804025243","","","0.71073","MoKα","","0.2163","0.0743","","","0.1587","0.2349","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2204494","11.7267","0.0004","8.1512","0.0002","16.8433","0.0005","90","","105.612","0.001","90","","1550.6","0.08","90","1","90","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dicarbonylbis(triphenylphosphine)nickel(0)","","- C38 H30 Ni O2 P2 -","- C38 H30 Ni O2 P2 -","- C76 H60 Ni2 O4 P4 -","2","0.5","FL6122","Moncol, Jan; Gembicky, Milan; Coppens, Phillip","Dicarbonylbis(triphenylphosphine)nickel(0): a redetermination at 90K","Acta Crystallographica Section E","2004","60","11","m1582","m1583","10.1107/S1600536804024377","","","0.71069","MoKα","","0.0328","0.0242","","","0.0708","0.0745","","","","","","1.036","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204495","6.1413","0.0011","10.2111","0.0012","21.174","0.003","90","","90","","90","","1327.8","0.3","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,3S)-2-Oxo-1-(1'-phenylethyl)piperidine-3-carboxylic acid","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","FL6123","Lumbreras-Garcá, Ana-María; Galindo-Guzmán, Alberto; Gnecco, Dino; Terán, Joel-Luis; Bernès, Sylvain","(1'<i>R</i>,3<i>S</i>)-2-Oxo-1-(1'-phenylethyl)piperidine-3-carboxylic acid: a case of a very strong intramolecular hydrogen bond","Acta Crystallographica Section E","2004","60","11","o2110","o2112","10.1107/S1600536804024171","","","0.71073","MoKα","","0.0864","0.0442","","","0.107","0.1316","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204496","13.825","0.003","17.563","0.005","10.499","0.001","90","","90","","90","","2549.2","0.9","297","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl4 Cu N2 O2 -","- C22 H24 Cl4 Cu N2 O2 -","- C88 H96 Cl16 Cu4 N8 O8 -","4","1","FL6124","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(<i>S</i>)-<i>N</i>-(2-butyl)-3,5-dichlorosalicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section E","2004","60","11","m1605","m1607","10.1107/S1600536804024882","","","0.7107","MoKα","","","0.0474","","","","0.1074","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204497","10.481","0.002","10.844","0.002","11.151","0.003","106.576","0.009","106.92","0.01","111.192","0.01","1016.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-[(4-Bromoanilino)carbonyl]prop-2-enoic acid","","- C10 H8 Br N O3 -","- C10 H8 Br N O3 -","- C40 H32 Br4 N4 O12 -","4","2","FL6125","Parvez, Masood; Shahid, Khadija; Shahzadi, Saira; Ali, Saqib","3-[(4-Bromoanilino)carbonyl]prop-2-enoic acid","Acta Crystallographica Section E","2004","60","11","o2079","o2081","10.1107/S1600536804026029","","","0.71073","MoKα","","0.052","0.034","","","0.075","0.083","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204498","7.062","0.001","12.665","0.002","13.875","0.003","98.372","0.007","102.792","0.008","92.732","0.009","1193.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-[(2,4,6-Trichloroanilino)carbonyl]prop-2-enoic acid","","- C10 H6 Cl3 N O3 -","- C10 H6 Cl3 N O3 -","- C40 H24 Cl12 N4 O12 -","4","2","FL6126","Parvez, Masood; Shahzadi, Saira; Shahid, Khadija; Ali, Saqib","3-[(2,4,6-Trichloroanilino)carbonyl]prop-2-enoic acid","Acta Crystallographica Section E","2004","60","11","o2082","o2084","10.1107/S1600536804026030","","","0.71073","MoKα","","0.066","0.038","","","0.091","0.104","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204499","12.078","0.005","19.923","0.005","8.336","0.005","90","","92.537","0.005","90","","2003.9","1.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Isopropyl-3-(2-morpholinioethyl)benzimidazolium diiodide","","- C16 H25 I2 N3 O -","- C16 H25 I2 N3 O -","- C64 H100 I8 N12 O4 -","4","1","FL6128","Mehmet Akkurt; Sevim Türktekin; Hasan Küçükbay; Ülkü Yılmaz; Orhan Büyükgüngör","1-Isopropyl-3-(2-morpholinioethyl)benzimidazolium diiodide","Acta Crystallographica Section E","2004","60","11","o2135","o2137","10.1107/S1600536804026637","","","0.71073","MoKα","","0.0247","0.0195","","","0.0439","0.045","","","","","","0.97","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204500","8.358","0.0017","10.522","0.002","10.581","0.002","90.13","0.03","102.08","0.03","99.73","0.03","896.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-{[3-(4-methylsulfanyl)phenyl-1,2,4-oxadiazol- 5-yl]methoxy}phenylacetate","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C38 H36 N4 O8 S2 -","2","1","FL6129","Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang","Methyl 2-{[3-(4-methylsulfanyl)phenyl-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate","Acta Crystallographica Section E","2004","60","11","o2122","o2124","10.1107/S1600536804026649","","","0.71073","MoKα","","0.0554","0.0406","","","0.1276","0.1419","","","","","","0.906","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204501","12.687","0.003","23.424","0.017","12.956","0.008","90","","104.8","0.04","90","","3723","4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl F12 N6 P2 Ru -","- C36 H29 Cl F12 N6 P2 Ru -","- C144 H116 Cl4 F48 N24 P8 Ru4 -","4","1","GH6001","Coe, Benjamin J.; Curati, Naomi R. M.; Grabowski, Simon R.; Horton, Peter N.; Hursthouse, Michael B.","<i>cis</i>-Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')chloro(1-phenyl-4,4'-bipyridinium-κ<i>N</i>^1'^)ruthenium(II) bis(hexafluorophosphate)","Acta Crystallographica Section E","2004","60","11","m1562","m1564","10.1107/S1600536804024006","","","0.71073","MoKα","","0.1154","0.0598","","","0.1108","0.1277","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204502","20.539","0.003","7.012","0.002","19.243","0.003","90","","116.95","0.03","90","","2470.4","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Strontium ferron trihydrate","Diaquabis(8-oxido-7-iodoquinolinium-5-sulfonato)strontium monohydrate","","- C18 H16 I2 N2 O11 S2 Sr -","- C18 H16 I2 N2 O11 S2 Sr -","- C72 H64 I8 N8 O44 S8 Sr4 -","4","1","HB6083","Balasubramani, Kasthuri; Francis, Savarimuthu; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Cantoni, Andrea","Diaquabis(7-iodo-8-oxidoquinolinium-5-sulfonato)strontium(II) monohydrate","Acta Crystallographica Section E","2004","60","11","m1576","m1579","10.1107/S1600536804024067","","","0.71069","MoKa","","0.1145","0.0747","","","0.2033","0.23","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204503","11.313","0.002","12.907","0.003","14.483","0.003","83.049","0.003","76.301","0.003","68.085","0.003","1904.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^N,N')zinc(II) bis(perchlorate) ethanol solvate monohydrate","","- C38 H32 Cl2 N6 O10 Zn -","- C38 H32 Cl2 N6 O10 Zn -","- C76 H64 Cl4 N12 O20 Zn2 -","2","1","HB6094","Wei, Yibin; Yuan, Caixia; Yang, Pin","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) bis(perchlorate) ethanol solvate monohydrate","Acta Crystallographica Section E","2004","60","11","m1686","m1688","10.1107/S1600536804026212","","","0.71073","MoKα","","0.1459","0.0851","","","0.1442","0.1684","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204504","30.601","0.004","8.4526","0.0011","7.7465","0.001","90","","90","","90","","2003.7","0.5","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","{1,1'-[1,3-Propanediylbis(nitrilomethylidyne)]di-2-naphtholato}zinc(II)","","- C25 H20 N2 O2 Zn -","- C25 H20 N2 O2 Zn -","- C100 H80 N8 O8 Zn4 -","4","0.5","HB6099","Wu, Chuan-Bao","{1,1'-[1,3-Propanediylbis(nitrilomethylidyne)]di-2-naphtholato}zinc(II), containing a square-planar ZnO~2~N~2~ group","Acta Crystallographica Section E","2004","60","11","m1580","m1581","10.1107/S1600536804023177","","","0.71073","MoKα","","0.0425","0.0412","","","0.1222","0.124","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204505","14.5818","0.0015","5.3508","0.0006","9.7958","0.0011","90","","90","","90","","764.31","0.14","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-poly[[diaquamanganese(II)]-μ-iminodiacetato-κ^3^N,O,O']","","- C4 H9 Mn N O6 -","- C4 H9 Mn N O6 -","- C16 H36 Mn4 N4 O24 -","4","1","HB6100","Bing-Xin Liu; Duan-Jun Xu","Redetermination of <i>catena</i>-poly[[diaquamanganese(II)]-μ-iminodiacetato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2004","60","11","m1570","m1572","10.1107/S1600536804024262","","","0.71073","MoKα","","0.022","0.021","","","0.05","0.051","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204506","6.9258","0.0019","7.513","0.002","12.907","0.004","77.622","0.008","83.212","0.009","74.103","0.008","629.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tcatena-Poly[[[aqua(2-carboxy-6-nitrobenzoato-κO)sodium]-di-μ-aqua] monohydrate]","","- C8 H12 N Na O10 -","- C8 H12 N Na O10 -","- C16 H24 N2 Na2 O20 -","2","1","HB6105","Guo, Ming-Lin","<i>catena</i>-Poly[[[aqua(2-carboxy-6-nitrobenzoato-κ<i>O</i>)sodium]-di-μ-aqua] monohydrate]","Acta Crystallographica Section E","2004","60","11","m1684","m1685","10.1107/S1600536804026273","","","0.71073","MoKα","","0.0665","0.048","","","0.1219","0.1318","","","","","","1.105","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204507","7.8618","0.0016","11.709","0.002","13.231","0.003","105.25","0.03","102.68","0.03","104.42","0.03","1083.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato]bis[pyridinecopper(II)] methanol disolvate","","- C44 H46 Cu2 N6 O10 -","- C44 H46 Cu2 N6 O10 -","- C44 H46 Cu2 N6 O10 -","1","0.5","HB6106","Huo, Li-Hua; Lu, Zhen-Zhong; Gao, Shan; Zhao, Hui; Zhao, Jing-Gui","Bis[μ-3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato]bis[pyridinecopper(II)] methanol disolvate","Acta Crystallographica Section E","2004","60","11","m1636","m1638","10.1107/S1600536804025413","","","0.71073","MoKα","","0.0439","0.0366","","","0.094","0.0973","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204508","16.921","0.004","10.073","0.002","17.59","0.005","90","","115.647","0.004","90","","2702.7","1.1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(isothiocyanato-κN)bis[8-(methoxycarbonylmethoxy)quinoline-κN]copper(II)","","- C26 H22 Cu N4 O6 S2 -","- C26 H22 Cu N4 O6 S2 -","- C104 H88 Cu4 N16 O24 S8 -","4","0.5","HB6107","Song, Rui-Feng; Wang, Yu-Hong; Jiang, Fan","Bis(isothiocyanato-κ<i>N</i>)bis[8-(methoxycarbonylmethoxy)quinoline-κ<i>N</i>]copper(II)","Acta Crystallographica Section E","2004","60","11","m1695","m1696","10.1107/S1600536804025668","","","0.7107","MoKα","","0.0637","0.0549","","","0.0985","0.1013","","","","","","1.22","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204509","25.259","0.0009","13.981","0.0005","12.308","0.0005","90","","111.348","0.002","90","","4048.3","0.3","150","1","150","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(μ-phenylphosphido-κ^2^P:P)bis{[1,2-(dicyclohexylphosphino)ethane- κ^2^P,P']platinum(I)} dichloride bis(dichloromethane) hexane solvate","","- C72 H126 Cl6 P6 Pt2 -","- C66 H112 Cl6 P6 Pt2 -","- C132 H224 Cl12 P12 Pt4 -","2","0.25","HB6109","Jaska, Cory A.; Lough, Alan J.; Manners, Ian","Bis(μ-phenylphosphido-κ^2^<i>P</i>:<i>P</i>)bis{[1,2-(dicyclohexylphosphino)ethane-κ^2^<i>P,P</i>']platinum(I)} dichloride bis(dichloromethane) hexane solvate","Acta Crystallographica Section E","2004","60","11","m1653","m1655","10.1107/S1600536804025309","","","0.71073","MoKα","","0.0452","0.0362","","","0.0843","0.0874","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","209451","2020-10-21","18:00:00",""
"2204510","15.014","0.003","6.568","0.002","15.33","0.003","90","","106.69","0.02","90","","1448","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diaminopyrimidinium sulfate monohydrate","Bis(2,4-diamino-6-oxopyrimidinium) sulfate monohydrate","","- C8 H16 N8 O7 S -","- C8 H16 N8 O7 S -","- C32 H64 N32 O28 S4 -","4","1","HB6111","Packianathan Thomas Muthiah; Madhukar Hemamalini; Gabriele Bocelli; Andrea Cantoni","Bis(2,4-diamino-6-oxopyrimidinium) sulfate monohydrate","Acta Crystallographica Section E","2004","60","11","o2038","o2040","10.1107/S1600536804025747","","","0.71069","MoKα","","0.0848","0.0754","","","0.242","0.2508","","","","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204511","7.7843","0.0016","21.977","0.004","11.129","0.002","90","","90","","90","","1903.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Triaquaformatobis(4-formyl-2-methoxyphenolato)gadolinium(III)","","- C17 H21 Gd O11 -","- C17 H21 Gd O11 -","- C68 H84 Gd4 O44 -","4","0.5","HB6118","Gao, Shan; Huo, Li-Hua; Zhang, Xian-Fa; Zhao, Hui","Triaquaformatobis(4-formyl-2-methoxyphenolato)gadolinium(III)","Acta Crystallographica Section E","2004","60","11","m1738","m1740","10.1107/S1600536804027205","","","0.71073","MoKα","","0.018","0.017","","","0.043","0.044","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204512","7.6328","0.0007","9.78","0.0009","9.8622","0.0009","89.351","0.001","73.954","0.001","80.565","0.001","697.5","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Aqua(oxalato-κ^2^O,O')oxo(1,10-phenanthroline-κ^2^N,N')vanadium(IV)","","- C14 H10 N2 O6 V -","- C14 H10 N2 O6 V -","- C28 H20 N4 O12 V2 -","2","1","HB6202","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","Aqua(oxalato-κ^2^<i>O</i>,<i>O</i>')oxo(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')vanadium(IV)","Acta Crystallographica Section E","2004","60","11","m1584","m1586","10.1107/S1600536804024432","","","0.71073","MoKα","","0.059","0.043","","","0.109","0.125","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204513","34.738","0.004","7.45","0.002","12.929","0.004","90","","106.23","0.02","90","","3212.7","1.4","295","2","275","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H74 Co2 N8 O25 -","- C60 H72 Co2 N8 O25 -","- C120 H144 Co4 N16 O50 -","2","0.5","HB6203","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[1,3-phenylenedi(oxyacetato)-κ<i>O</i>]cobalt(II)] 4,4'-bipyridine heptahydrate","Acta Crystallographica Section E","2004","60","11","m1590","m1592","10.1107/S1600536804024535","","","0.71073","MoKα","","0.0367","0.0318","","","0.0759","0.0778","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204514","11.877","0.001","11.559","0.001","18.766","0.002","90","","108.449","0.002","90","","2443.9","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N-(2-Aminocyclohexyl)salicylaldiminato-κ^3^O,N,N']dichlorophenyltin(IV) chloroform solvate","","- C20 H23 Cl5 N2 O Sn -","- C20 H23 Cl5 N2 O Sn -","- C80 H92 Cl20 N8 O4 Sn4 -","4","1","HB6204","Lee, See Mun; Lo, Kong Mun; Ng, Seik Weng","[<i>N</i>-(2-Aminocyclohexyl)salicylaldiminato-κ^3^<i>O,N,N</i>']dichlorophenyltin(IV) chloroform solvate","Acta Crystallographica Section E","2004","60","11","m1614","m1616","10.1107/S1600536804025036","","","0.71073","MoKα","","0.048","0.041","","","0.109","0.114","","","","","","1.01","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204515","6.1589","0.0002","9.682","0.006","18.714","0.006","90","","90","","90","","1115.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-ornithinium sulfate monohydrate","L-ornithinium sulfate monohydrate","","- C5 H16 N2 O7 S -","- C5 H16 N2 O7 S -","- C20 H64 N8 O28 S4 -","4","1","HG6090","Ravikumar, B.; Athimoolam, S.; Rajaram, R. K.","<small>L</small>-Ornithinium sulfate monohydrate","Acta Crystallographica Section E","2004","60","11","o2093","o2095","10.1107/S1600536804026108","","","0.71073","MoKα","","0.0665","0.0587","","","0.1628","0.1707","","","","","","1.06","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204516","13.576","0.002","4.0362","0.0006","27.495","0.004","90","","98.621","0.003","90","","1489.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2-Bromophenyl)-N'-(4-methoxybenzoyl)thiourea","","- C15 H13 Br N2 O2 S -","- C15 H13 Br N2 O2 S -","- C60 H52 Br4 N8 O8 S4 -","4","1","HG6091","M. Sukeri M. Yusof; Bohari M. Yamin","<i>N</i>-(2-Bromophenyl)-<i>N</i>'-(4-methoxybenzoyl)thiourea","Acta Crystallographica Section E","2004","60","11","o2045","o2046","10.1107/S1600536804025590","","","0.71073","MoKα","","0.066","0.042","","","0.091","0.1","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204517","26.082","0.014","14.385","0.007","16.231","0.008","90","","118.808","0.008","90","","5336","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[tris(2-benzimidazolylmethyl)amine]dinitratocadmium(II)","","- C24 H21 Cd N9 O6 -","- C24 H21 Cd N9 O6 -","- C192 H168 Cd8 N72 O48 -","8","1","HG6092","Jin-Lei Tian; Ming-Jin Xie; Shi-Ping Yan; Dai-Zheng Liao; Zhong-Hui Jiang; Peng Cheng","The heptacoordinate cadmium(II) complex [tris(2-benzimidazolylmethyl)amine]dinitratocadmium(II)","Acta Crystallographica Section E","2004","60","11","m1689","m1691","10.1107/S1600536804026091","","","0.71073","MoKα","","0.0794","0.0386","","","0.0698","0.0773","","","","","","0.963","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204518","7.8609","0.0003","10.747","0.0004","16.5516","0.0006","90","","90","","90","","1398.3","0.09","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","HG6094","Howard A. Shallard-Brown; Christopher C. Harding; David J. Watkin; Raquel Soengas; Ulla P. Skytte; George W. J. Fleet","2,3:5,6-Di-<i>O</i>-isopropylidene-2-<i>C</i>-hydroxymethyl-<small>D</small>-talono-1,4-lactone","Acta Crystallographica Section E","2004","60","11","o2163","o2164","10.1107/S160053680402700X","","","0.71073","MoKα","","0.0419","0.0333","","0.0735","0.0698","0.0735","","","","","","0.9219","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204519","11.2419","0.0005","14.5966","0.0007","15.873","0.0008","64.813","0.0012","86.689","0.0012","81.076","0.0012","2328.38","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","catena-poly[(5,12-dimethyl-7,14-diphenyl-1,4,8,11- tetracyclotetradecane)copper(II) bis[[(5,12-dimethyl-7,14-diphenyl-1,4,8,11- tetracyclotetradecane)copper(II)]-μ-oxalato-[(acetonitrile)copper(II)]-μ- oxalato] diperchlorate]","catena-poly[(5,12-dimethyl-7,14-diphenyl-1,4,8,11- tetracyclotetradecane)copper(II) bis[[(5,12-dimethyl-7,14-diphenyl-1,4,8,11- tetracyclotetradecane)copper(II)]-μ-oxalato-[(acetonitrile)copper(II)]-μ- oxalato] diperchlorate]","","- C84 H114 Cl2 Cu5 N14 O24 -","- C84 H114 Cl2 Cu5 N14 O24 -","- C84 H114 Cl2 Cu5 N14 O24 -","1","0.5","HG6095","Li, Yanping; Yang, Pin; Huang, Zixiang; Xie, Fuxin","A novel one-dimensional polymeric complex of a tetraaza-macrocycle‒copper(II) unit with a [Cu(C~2~O~4~)~2~(CH~3~CN)]^2{‒^} bridging anion","Acta Crystallographica Section E","2004","60","11","m1710","m1712","10.1107/S160053680402656X","","","0.71073","MoKα","","0.0853","0.0637","","","0.15","0.1739","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204520","15.6095","0.0008","6.8297","0.0004","18.6854","0.0009","90","","103.739","0.004","90","","1935.02","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-[(2'-Cyanobiphenyl-4-yl)methyl]-L-valine methyl ester hydrochloride","methyl 2-[(2'-cyanobiphenyl-4-yl)methylammonio]-3-methylbutanoate chloride","","- C20 H23 Cl N2 O2 -","- C20 H23 Cl N2 O2 -","- C80 H92 Cl4 N8 O8 -","4","2","HG6096","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Nagarajab, Padmarajaiah; Prabhuswamy, Basappa; Bolte, Michael","<i>N</i>-[(2'-Cyanobiphenyl-4-yl)methyl]-<small>L</small>-valine methyl ester hydrochloride: an intermediate in the synthesis of valsartan","Acta Crystallographica Section E","2004","60","11","o2160","o2162","10.1107/S1600536804026790","","","0.71073","MoKα","","0.0368","0.0294","","","0.0666","0.0681","","","","","","0.904","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204521","8.65","0.0017","10.7","0.002","14.817","0.003","107.66","0.03","97.5","0.03","95.15","0.03","1283.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2-(2-{1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2- (dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate","","- C26 H30 N4 O6 -","- C26 H30 N4 O6 -","- C52 H60 N8 O12 -","2","1","IS6005","Chen, Jia-Hui; Wang, Hai-Bo; Pu, Yue-Qing; Wang, Jin-Tang","Methyl 2-(2-{1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate","Acta Crystallographica Section E","2004","60","11","o2070","o2072","10.1107/S160053680402611X","","","0.71073","MoKα","","0.178","0.0715","","","0.2113","0.2606","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204522","13.2773","0.0011","5.4948","0.0006","16.0402","0.0014","90","","95.7432","0.0018","90","","1164.36","0.19","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(4-chlorobenzoato-κO)bis(1H-imidazole-κN^3^)cobalt(II)","","- C20 H20 Cl2 Co N4 O6 -","- C20 H20 Cl2 Co N4 O6 -","- C40 H40 Cl4 Co2 N8 O12 -","2","0.5","IS6006","Tu-Gen Xu; Duan-Jun Xu","Diaquabis(4-chlorobenzoato-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)","Acta Crystallographica Section E","2004","60","11","m1669","m1671","10.1107/S1600536804025966","","","0.71073","MoKα","","0.035","0.03","","","0.079","0.081","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204523","10.165","0.005","14.205","0.007","13.262","0.006","90","","90","","90","","1915","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(1-Ferrocenyl-1-methoxy-3-phenylpropan-2-yl)-1H-1,2,4-triazole","","- C22 H23 Fe N3 O -","- C22 H23 Fe N3 O -","- C88 H92 Fe4 N12 O4 -","4","1","KP6004","Jin, Zhong; Song, Hai-bing; Liu, Wei; Hu, Yan; Liu, Jian-bin; Shao, Ling; Fang, Jian-xin","1-(1-Ferrocenyl-1-methoxy-3-phenyl-2-propyl)-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","11","m1692","m1694","10.1107/S1600536804025620","","","0.71073","MoKα","","0.0752","0.0416","","","0.083","0.1081","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2204524","8.4902","0.0009","9.0205","0.0016","9.3236","0.0014","115.456","0.012","112.034","0.01","94.799","0.013","571.48","0.18","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O4 -","- C22 H24 Cl2 N2 O4 -","- C22 H24 Cl2 N2 O4 -","1","0.5","KP6006","Hiroyuki Ishida","Bis(2,4,6-trimethylpyridinium) chloranilate","Acta Crystallographica Section E","2004","60","11","o2005","o2006","10.1107/S1600536804025334","","","0.71073","MoKα","","0.087","0.046","","","0.106","0.122","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204525","10.8029","0.0014","10.9431","0.0009","12.376","0.002","105.92","0.01","93.838","0.012","94.804","0.009","1395.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 3-[2-methoxy-5-(1-methyl-1-phenylethyl)phenyl]-2-phenyl-2,3,4,5- tetrahydroisoxazole-4,5-dicarboxylate","","- C31 H35 N O6 -","- C31 H35 N O6 -","- C62 H70 N2 O12 -","2","1","KP6007","V. Sridharan; P. Kalanidhi; K. Karthikeyan; S. Muthusubramanian; K. Anitha; R. K. Rajaram","Diethyl 3-[2-methoxy-5-(1-methyl-1-phenylethyl)phenyl]-2-phenyl-2,3,4,5-tetrahydroisoxazole-4,5-dicarboxylate","Acta Crystallographica Section E","2004","60","11","o2068","o2069","10.1107/S1600536804025681","","","0.71073","MoKα","","0.1096","0.0455","","","0.1073","0.1398","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204526","10.436","0.002","5.18","0.001","31.56","0.006","90","","92.94","0.03","90","","1703.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate","","- C18 H15 N3 O6 -","- C18 H15 N3 O6 -","- C72 H60 N12 O24 -","4","1","KP6008","Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang","Methyl 2-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate","Acta Crystallographica Section E","2004","60","11","o2073","o2075","10.1107/S160053680402625X","","","0.71073","MoKα","","0.1322","0.0536","","","0.1472","0.1897","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204527","6.0584","0.0011","19.717","0.004","8.9513","0.0016","90","","98.257","0.004","90","","1058.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Nitro-2,3-dihydro-1H-cyclopenta[b]chromen-1-one","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","LH6267","Huo, Fangjun; Yin, Caixia; Yang, Pin","7-Nitro-2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]chromen-1-one","Acta Crystallographica Section E","2004","60","11","o2087","o2089","10.1107/S1600536804026078","","","0.71073","MoKα","","0.0946","0.0524","","","0.1081","0.1247","","","","","","0.978","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204528","5.4608","0.0006","14.4068","0.0017","24.392","0.003","90","","90","","90","","1919","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,6,7,9-Tetra-O-acetyl-4,8-anhydro-1,2,3-trideoxy-D-glycero-D-gulo- non-1-enitol","","- C17 H24 O9 -","- C17 H24 O9 -","- C68 H96 O36 -","4","1","LH6268","Rhoad, Jonathon S.; Lowary, Todd L.; Ferguson, Michael J.","5,6,7,9-Tetra-<i>O</i>-acetyl-4,8-anhydro-1,2,3-trideoxy-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-non-1-enitol","Acta Crystallographica Section E","2004","60","11","o1939","o1941","10.1107/S1600536804024407","","","0.71073","MoKα","","0.0921","0.0526","","","0.0892","0.1003","","","","","","1.02","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204529","13.3072","0.0014","13.3072","0.0014","5.1172","0.0011","90","","90","","120","","784.8","0.2","193","2","193","2","","","","","","","","3","P 32","P 32","145","","4,8-anhydro-1,2,3,5-tetradeoxy-D-allo-non-1-enitol","","- C9 H16 O4 -","- C9 H16 O4 -","- C27 H48 O12 -","3","1","LH6269","Rhoad, Jonathon S.; Lowary, Todd L.; Ferguson, Michael J.","4,8-Anhydro-1,2,3,5-tetradeoxy-<small>D</small>-<i>allo</i>-non-1-enitol","Acta Crystallographica Section E","2004","60","11","o1942","o1944","10.1107/S1600536804024419","","","0.71073","MoKα","","0.1024","0.0631","","","0.1459","0.1788","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204530","9.463","0.005","9.638","0.002","10.908","0.003","100.31","0.02","115.1","0.03","100.64","0.04","847.6","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","trans-Bis(1H-benzimidazol-2-ylmethyl-κN^3^ diethyl phosphate)dichloropalladium(II) monohydrate","","- C24 H36 Cl2 N4 O9 P2 Pd -","- C24 H34 Cl2 N4 O8 P2 Pd -","- C24 H34 Cl2 N4 O8 P2 Pd -","1","0.5","LH6279","Chęcińska, Lilianna; Małecka, Magdalena; Kalinowska, Urszula; Ochocki, Justyn","<i>trans</i>-Bis(1<i>H</i>-benzimidazol-2-ylmethyl-κ<i>N</i>^3^ diethyl phosphate)dichloropalladium(II) monohydrate","Acta Crystallographica Section E","2004","60","11","m1558","m1561","10.1107/S1600536804023943","","","0.7107","MoKα","","0.1433","0.0459","","","0.1073","0.1196","","","","","","0.901","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204531","7.647","0.002","21.158","0.004","14.122","0.003","90","","95.08","0.03","90","","2275.9","0.9","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzimidazolium 3-carboxyphenoxyacetate 3-carboxyphenoxyacetatic acid","","- C25 H22 N2 O10 -","- C25 H22 N2 O10 -","- C100 H88 N8 O40 -","4","1","LH6280","Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Hui; Ng, Seik Weng","A second monoclinic modification of benzimidazolium 3-carboxyphenoxyacetate 3-carboxyphenoxyacetic acid","Acta Crystallographica Section E","2004","60","11","o1914","o1916","10.1107/S1600536804024158","","","0.71073","MoKα","","0.094","0.051","","","0.108","0.123","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204532","11.549","0.001","11.72","0.001","12.458","0.001","112.263","0.002","95.223","0.002","91.974","0.002","1549.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","5'-Aminohydroxymethylene-1',2'-dichloro-spiro[7H- pyrano[3,2-c;5,6-c']dichromene-7,4'-cyclohex-2'-ene]-3',6,6',8-tetraone dimethylformamide disolvate","","- C31 H25 Cl2 N3 O10 -","- C31 H25 Cl2 N3 O10 -","- C62 H50 Cl4 N6 O20 -","2","1","LH6281","Zhang, Sheng-Ling; Huang, Zhi-Shu; Gu, Lian-Quan; Ng, Seik Weng","5'-Aminohydroxymethylene-1',2'-dichloro-spiro[7<i>H</i>-pyrano[3,2-<i>c</i>;5,6-<i>c</i>']dichromene-7,4'-cyclohex-2'-ene]-3',6,6',8-tetraone dimethylformamide disolvate, a spiro compound from the reaction of 4-hydroxycoumarin with 2,3-dichloro-5,6-dicyanobenzoquinone","Acta Crystallographica Section E","2004","60","11","o1911","o1913","10.1107/S160053680402416X","","","0.71073","MoKα","","0.098","0.047","","","0.114","0.137","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204533","11.0105","0.0007","13.6596","0.001","26.8832","0.0018","90","","90","","90","","4043.2","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dibenzophospholanic acid anhydride","bis(5-hydroxy-5-oxodibenzo-5H-phosphole) anhydride or 9,9'-oxydi(9-phosphafluoren-9-one)","","- C24 H16 O3 P2 -","- C24 H16 O3 P2 -","- C192 H128 O24 P16 -","8","1","LH6282","Andreas Decken; Erin D. Gill; Frank Bottomley","Dibenzophospholanic acid anhydride","Acta Crystallographica Section E","2004","60","11","o1935","o1936","10.1107/S1600536804024390","","","0.71073","MoKα","","0.0922","0.0505","","","0.1295","0.1424","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204534","7.3854","0.0015","11.432","0.002","13.625","0.003","92.88","0.03","98.04","0.03","97.18","0.03","1127.4","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","catena-poly[[[tetraaquacobalt(II)]-μ-4,4-bipyridine-κ^2^N:N'] 2-carboxylatocinnamate dihydrate]","","- C20 H26 Co N2 O10 -","- C20 H26 Co N2 O10 -","- C40 H52 Co2 N4 O20 -","2","2","LH6283","Li, Feng; Wang, Yanqi; Bi, Wenhua; Li, Xing; Cao, Rong","A new supramolecular framework through hydrogen bonds in <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 2-carboxylatocinnamate dihydrate]","Acta Crystallographica Section E","2004","60","11","m1681","m1683","10.1107/S1600536804026054","","","0.71073","MoKα","","0.0228","0.0215","","","0.0452","0.0455","","","","","","0.929","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204535","7.297","0.0003","14.7022","0.0007","15.8692","0.0007","90","","90","","90","","1702.48","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C56 H76 N12 O36 -","4","1","LH6285","Temelkoff, David P.; Norris, Peter; Zeller, Matthias","2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl azide","Acta Crystallographica Section E","2004","60","11","o1975","o1976","10.1107/S1600536804024900","","","0.71073","MoKα","","0.0414","0.0411","","","0.1027","0.1029","","","","","","1.198","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204536","10.326","0.002","24.76","0.004","11.178","0.002","90","","96.274","0.007","90","","2840.8","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-Dichloro(dicyclohexylamine)(triphenylphosphine)palladium(II)","trans-Dichloro(dicyclohexylamine)(triphenylphosphine)palladium(II)","","- C30 H38 Cl2 N P Pd -","- C30 H38 Cl2 N P Pd -","- C120 H152 Cl8 N4 P4 Pd4 -","4","1","LH6286","Parvez, Masood; Badshah, Amin; Asma, Maliha; Ali, Saqib; Ahmad, Saeed; Malik, Abdul; Ahmed, Fiaz","<i>trans</i>-Dichloro(dicyclohexylamine)(triphenylphosphine)palladium(II)","Acta Crystallographica Section E","2004","60","11","m1602","m1604","10.1107/S1600536804024912","","","0.71073","MoKα","","0.044","0.029","","","0.063","0.068","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204537","11.04","0.007","11.782","0.007","14.363","0.009","90","","105.76","0.04","90","","1798","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzoylspiro[1H-isoindole-1,3'-isochromene]-1',3,4'(2H,3'H)-trione","","- C23 H13 N O5 -","- C23 H13 N O5 -","- C92 H52 N4 O20 -","4","1","LH6287","McSweeney, Nigel; Pratt, Albert C.; Creaven, Bernadette S.; Long, Conor; Howie, R. Alan","2-Benzoylspiro[1<i>H</i>-isoindole-1,3'-isochromene]-1',3,4'(2<i>H</i>,3'<i>H</i>)-trione","Acta Crystallographica Section E","2004","60","11","o2025","o2028","10.1107/S1600536804025279","","","0.71073","MoKα","","0.1801","0.0873","","","0.1392","0.1677","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204538","14.265","0.002","8.154","0.0011","11.229","0.002","90","","102.8","0.015","90","","1273.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl(3-carboxypropyl)(η^5^-cyclopentadienyl)tungsten(II)","","- C12 H12 O5 W -","- C12 H12 O5 W -","- C48 H48 O20 W4 -","4","1","LH6288","Friedrich, Holger B.; Howie, R. Alan; Onani, Martin O.","Tricarbonyl(3-carboxypropyl)(η^5^-cyclopentadienyl)tungsten(II)","Acta Crystallographica, Section E","2004","60","11","m1641","1643","10.1107/S1600536804025371","","","0.71073","MoKα","","0.0294","0.0261","","","0.0685","0.0716","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204539","13.5029","0.0003","6.7601","0.0001","18.2628","0.0003","90","","102.261","0.0013","90","","1629.02","0.05","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dieuropium trisulfate octahydrate","","- Eu2 H16 O20 S3 -","- Eu2 H16 O20 S3 -","- Eu8 H64 O80 S12 -","4","0.5","LH6289","Sarangarajan, Thanjavur R.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Dieuropium(III) trisulfate octahydrate: a redetermination at 120K","Acta Crystallographica Section E","2004","60","11","i142","i144","10.1107/S160053680402608X","","","0.71073","MoKα","","0.0203","0.0191","","","0.0535","0.0543","","","","","","1.255","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204540","10.9918","0.0006","9.082","0.0005","20.5555","0.0011","90","","94.5","0.001","90","","2045.68","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(guanidinium) diaquapentakis(nitrato-κ^2^O,O')lanthanum","","- C2 H16 La N11 O17 -","- C2 H16 La N11 O17 -","- C8 H64 La4 N44 O68 -","4","0.5","LH6290","Fowkes, Adrian; Harrison, William T. A.","Bis(guanidinium) diaquapentakis(nitrato-κ^2^O,O')lanthanum","Acta Crystallographica, Section E","2004","60","11","m1647","m1659","10.1107/S1600536804025255","","","0.71073","MoKα","","0.0389","0.0288","","","0.0441","0.0459","","","","","","0.91","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204541","8.0494","0.0012","6.4253","0.0009","12.95","0.002","90","","92.248","0.004","90","","669.26","0.17","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ammonium L-alanyl-L-phenylalaninate","","- C12 H19 N3 O3 -","- C12 H19 N3 O3 -","- C24 H38 N6 O6 -","2","1","LH6291","Görbitz, Carl Henrik","Ammonium <small>L</small>-alanyl-<small>L</small>-phenylalaninate","Acta Crystallographica Section E","2004","60","11","o2065","o2067","10.1107/S1600536804025917","","","0.71073","MoKα","","0.0416","0.0326","","","0.077","0.0816","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204542","30.241","0.009","7.441","0.002","16.29","0.007","90","","100.103","0.012","90","","3609","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","arjunglucoside I","β-D-Glucopyranosyl 2α,3β,19α,23-tetrahydroxyolean-12-en-28-oate","","- C36.25 H60.75 Cl0.25 O12 -","- C36.25 H60.75 Cl0.25 O12 -","- C145 H243 Cl O48 -","4","1","LH6299","Parvez, Masood; Atta-ur-Rahman; Choudhary, Iqbal M.; Zareen, Seema; Akhtar, Nadeem M.; Shujaat, Shahida; Ngounou, F. N.","Arjunglucoside I chloromethane 0.25-solvate monohydrate","Acta Crystallographica Section E","2004","60","11","o2130","o2132","10.1107/S1600536804026546","","","0.71073","MoKα","","0.054","0.043","","","0.108","0.115","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204543","17.446","0.002","10.4855","0.0009","13.0224","0.0014","90","","110.304","0.011","90","","2234.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-Ethoxy-2-(3-methyl-1-benzofuran-2-yl)ethyl]-4-(o-tolyl)piperazin-1-ium chloride","","- C24 H31 Cl N2 O2 -","- C24 H31 Cl N2 O2 -","- C96 H124 Cl4 N8 O8 -","4","1","NC6001","Kurfürst, Pavel; Marek, Jaromír; Vančo, Ján; Csöllei, Jozef","1-[2-Ethoxy-2-(3-methyl-1-benzofuran-2-yl)ethyl]-4-(<i>o</i>-tolyl)piperazin-1-ium chloride","Acta Crystallographica Section E","2004","60","11","o1989","o1991","10.1107/S1600536804024894","","","0.71073","MoKα","","0.0377","0.0329","","","0.0822","0.0848","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204544","3.8132","0.0005","6.0226","0.0008","30.378","0.004","90","","92.5","0.02","90","","696.98","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-fluoro-tolic acid","3-fluoro-4-methylbenzoic acid","","- C8 H7 F O2 -","- C8 H7 F O2 -","- C32 H28 F4 O8 -","4","1","NC6002","Batsanov, Andrei S.","3-Fluoro-4-methylbenzoic acid","Acta Crystallographica Section E","2004","60","11","o1948","o1949","10.1107/S1600536804024389","","","0.71073","MoKα","","0.06","0.0541","","","0.1533","0.1571","","","","","","1.118","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204545","11.4821","0.0002","7.2107","0.0001","18.2817","0.0003","90","","106.692","0.001","90","","1449.83","0.04","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cytosine N-benzoylglycine monohydrate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C52 H64 N16 O20 -","4","1","NC6003","Görbitz, Carl Henrik; Sagstuen, Einar","Cytosinium <i>N</i>-benzoylglycinate monohydrate, a redetermination at 105K","Acta Crystallographica Section E","2004","60","11","o1945","o1947","10.1107/S160053680402447X","","","0.71073","MoKα","","0.0356","0.0333","","","0.0898","0.0919","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204546","10.051","0.002","10.176","0.002","11.762","0.002","90","","103.76","0.02","90","","1168.5","0.4","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-tert-Butyl-1-isopropyl-1H-imidazole-2(3H)-thione","4-tert-Butyl-1-isopropyl-1H-imidazole-2(3H)-thione","","- C10 H18 N2 S -","- C10 H18 N2 S -","- C40 H72 N8 S4 -","4","1","NC6005","Brito, Iván; Caŕdenas, Alejandro; Loṕez-Rodriǵuez, Matías; Cristian Gutieŕrez; Andrea Reyes","4-<i>tert</i>-Butyl-1-isopropyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","11","o2127","o2129","10.1107/S1600536804026443","","","0.71073","MoKα","","","0.0608","","","","0.1965","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204547","9.066","0.003","12.924","0.004","17.854","0.006","84.894","0.005","80.659","0.005","84.306","0.005","2048.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquatris(nicotinato-κO)bis(1,10-phenanthroline-κ^2^N,N')neodymium(III) trihydrate","","- C42 H38 N7 Nd O11 -","- C42 H38 N7 Nd O11 -","- C84 H76 N14 Nd2 O22 -","2","1","NG6050","Liu, Fu-Chen; Wang, Xiu-Li","Diaquatris(nicotinato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N,N</i>')neodymium(III) trihydrate","Acta Crystallographica Section E","2004","60","11","m1630","m1632","10.1107/S1600536804025383","","","0.71073","MoKα","","0.0388","0.0285","","","0.0539","0.061","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204548","11.876","0.004","9.379","0.003","13.889","0.005","90","","96.573","0.007","90","","1536.9","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(O,O'-dicyclohexyl dithiophosphato-κ^2^S,S')platinum(II)","","- C24 H44 O4 P2 Pt S4 -","- C24 H44 O4 P2 Pt S4 -","- C48 H88 O8 P4 Pt2 S8 -","2","0.5","NG6051","Fong Sheen Kuan; Tiekink, Edward R. T.","Bis(<i>O,O</i>'-dicyclohexyl dithiophosphato-κ^2^<i>S,S</i>')platinum(II)","Acta Crystallographica Section E","2004","60","11","m1619","m1620","10.1107/S1600536804025280","","","0.71069","MoKα","","0.045","0.034","","","0.079","0.085","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204549","8.1588","0.001","8.304","0.001","25.008","0.003","90","","93.956","0.002","90","","1690.3","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-N,N-bis(2-hydroxyethyl)dithiocarbamato]- 1:2κ^3^S,S':S';2:1κ^3^S,S':S'-bis{[N,N-bis(2- hydroxyethyl)dithiocarbamato-κ^2^S,S']cadmium(II)}","","- C20 H40 Cd2 N4 O8 S8 -","- C20 H40 Cd2 N4 O8 S8 -","- C40 H80 Cd4 N8 O16 S16 -","2","0.5","NG6052","Zhong, Yun; Zhang,Weiguang; Fan, Jun; Tan, Mingyu; Chian, Sing Lai; Tiekink, Edward R. T.","Bis[μ-<i>N,N</i>-bis(2-hydroxyethyl)dithiocarbamato]-1:2κ^3^<i>S,S</i>':<i>S</i>';2:1κ^3^<i>S,S</i>':<i>S</i>'-bis{[<i>N,N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S,S</i>']cadmium(II)}","Acta Crystallographica Section E","2004","60","11","m1633","m1635","10.1107/S1600536804025395","","","0.71069","MoKα","","0.045","0.041","","","0.099","0.1","","","","","","1.33","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204550","10.0629","0.0008","12.402","0.0008","12.863","0.0008","92.241","0.005","110.245","0.005","99.343","0.007","1478.26","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^N)nickel(II) [N,N-o-phenylenebis(oxamato)-κ^4^O,N,N',O']cuprate(II) dihydrate","","- C26 H44 Cu N6 Ni O8 -","- C26 H43 Cu N6 Ni O8 -","- C52 H86 Cu2 N12 Ni2 O16 -","2","1","NG6053","Gao, En-Qing","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) [<i>N</i>,<i>N</i>-<i>o</i>-phenylenebis(oxamato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']cuprate(II) dihydrate","Acta Crystallographica Section E","2004","60","11","m1700","m1702","10.1107/S1600536804026315","","","0.71073","MoKα","","0.055","0.029","","","0.0598","0.0843","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204551","6.924","0.0002","14.046","0.0004","13.056","0.0004","90","","96.562","0.001","90","","1261.44","0.06","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine)dichlorogold(III) nitrate","","- C10 H8 Au Cl2 N3 O3 -","- C10 H8 Au Cl2 N3 O3 -","- C40 H32 Au4 Cl8 N12 O12 -","4","0.5","NG6054","Bjernemose, Jens K.; Raithby, Paul R.; Toftlund, Hans","(2,2'-Bipyridine)dichlorogold(III) nitrate","Acta Crystallographica Section E","2004","60","11","m1719","m1721","10.1107/S1600536804026558","","","0.71073","MoKα","","0.0351","0.0262","","","0.0502","0.0526","","","","","","1.064","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204552","6.8865","0.0006","9.9508","0.0006","11.6702","0.0008","65.397","0.004","88.452","0.006","86.194","0.006","725.51","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenyl)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one","","- C16 H15 Br N2 O -","- C16 H15 Br N2 O -","- C32 H30 Br2 N4 O2 -","2","1","OB6417","Daqing Shi; Zhengyi Li; Chunling Shi; Qiya Zhuang; Yong Zhang","3-(4-Bromophenyl)-2,2-dimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","11","o1992","o1994","10.1107/S1600536804025115","","","0.7107","MoKα","","0.0312","0.0274","","","0.0667","0.0685","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204553","9.788","0.002","13.142","0.003","10.114","0.002","90","","111.329","0.004","90","","1211.9","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorophenyl)-3,4-dihydroquinazolin-2(1H)-one","","- C14 H11 Cl N2 O -","- C14 H11 Cl N2 O -","- C56 H44 Cl4 N8 O4 -","4","1","OB6418","Daqing Shi; Zhengyi Li; Chunling Shi; Xiangshan Wang; Yong Zhang","3-(4-Chlorophenyl)-3,4-dihydroquinazolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","11","o2011","o2013","10.1107/S1600536804025218","","","0.7107","MoKα","","0.0402","0.0372","","","0.0934","0.096","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204554","9.2879","0.0012","10.4526","0.0012","11.0678","0.001","63.905","0.01","75.826","0.014","80.288","0.015","933.3","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-cyano-4-(2,4-dichlorophenyl)-8-methylpyrano[3,2-c]pyran-5(4H)-one ethanol solvate","","- C18 H16 Cl2 N2 O4 -","- C18 H11 Cl2 N2 O4 -","- C36 H22 Cl4 N4 O8 -","2","1","OB6419","Daqing Shi; Lihui Niu; Xiangshan Wang; Qiya Zhuang; Yong Zhang","2-Amino-3-cyano-4-(2,4-dichlorophenyl)-8-methylpyrano[3,2-<i>c</i>]pyran-5(4<i>H</i>)-one ethanol solvate","Acta Crystallographica Section E","2004","60","11","o1995","o1997","10.1107/S1600536804025127","","","0.7107","MoKα","","0.0565","0.0497","","","0.1409","0.1469","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204555","8.9157","0.001","11.256","0.0013","21.496","0.003","90","","97.37","0.003","90","","2139.4","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-Chloro-2,3-diphenyl-5,6-dihydroimidazo[1,2-c]quinazolin-5-one N,N-dimethylformamide solvate","","- C25 H21 Cl N4 O2 -","- C25 H21 Cl N4 O2 -","- C100 H84 Cl4 N16 O8 -","4","1","OB6420","Da-Qing Shi; Zheng-Yi Li; Chun-Ling Shi; Qi-Ya Zhuang; Xiang-Shan Wang; Yong Zhang","9-Chloro-2,3-diphenyl-5,6-dihydroimidazo[1,2-<i>c</i>]quinazolin-5-one <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2004","60","11","o2032","o2034","10.1107/S1600536804025553","","","0.7107","MoKα","","0.0552","0.0464","","","0.1074","0.1124","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204556","13.592","0.003","7.5178","0.0015","29.233","0.006","90","","90.69","0.03","90","","2986.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Aquabis(9-hydroxyfluorene-9-carboxylato)(methanol)copper(II) methanol disolvate","","- C31 H32 Cu O10 -","- C31 H32 Cu O10 -","- C124 H128 Cu4 O40 -","4","1","OB6425","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","Aquabis(9-hydroxyfluorene-9-carboxylato)(methanol)copper(II) methanol disolvate","Acta Crystallographica Section E","2004","60","11","m1725","m1727","10.1107/S1600536804026716","","","0.71073","MoKα","","0.073","0.057","","","0.144","0.154","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204557","7.4427","0.0013","7.5697","0.0013","8.249","0.0014","83.27","0.002","67.445","0.002","65.599","0.002","390.39","0.12","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","dithiocoumarin","2H-thiochromene-2-thione","","- C9 H6 S2 -","- C9 H6 S2 -","- C18 H12 S4 -","2","1","OB6428","Munshi, Parthapratim; Guru Row, T. N.","2<i>H</i>-Thiachromene-2-thione","Acta Crystallographica Section E","2004","60","11","o2168","o2170","10.1107/S1600536804026984","","","0.71073","MoKα","","0.0284","0.0271","","","0.0761","0.0771","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204558","14.7961","0.001","12.4953","0.0008","14.5148","0.001","90","","110.091","0.001","90","","2520.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromobis(methyldiphenylphosphine)nickel(II)","","- C26 H26 Br2 Ni P2 -","- C26 H26 Br2 Ni P2 -","- C104 H104 Br8 Ni4 P8 -","4","0.5","RN6024","Zeller, Matthias; DiMuzio, Steven J.; Hunter, Allen D.","Dibromobis(methyldiphenylphosphine)nickel(II)","Acta Crystallographica Section E","2004","60","11","m1595","m1596","10.1107/S1600536804024675","","","0.71073","MoKα","","0.0242","0.0216","","","0.0561","0.0573","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204559","11.928","0.0001","11.012","0.0001","28.17","0.0003","90","","92.654","0.001","90","","3696.19","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(E)-2-Phenylethen-1-yl]quinolin-8-ol","","- C17 H13 N O -","- C17 H13 N O -","- C204 H156 N12 O12 -","12","3","RN6027","Bjernemose, Jens K.; Less, Robert J.; Raithby, Paul R.","5-[(<i>E</i>)-2-Phenylethen-1-yl]quinolin-8-ol","Acta Crystallographica Section E","2004","60","11","o1981","o1983","10.1107/S1600536804025012","","","0.71069","MoKα","","0.0981","0.0518","","","0.1214","0.1421","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204560","6.1266","0.0002","6.7254","0.0002","13.8419","0.0005","90","","99.6456","0.0014","90","","562.28","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Amino-5-deoxy-2-C-hydroxymethyl-2,3-O-isopropylidene-D-talono-1,5-lactam","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C20 H34 N2 O12 -","2","1","RZ6003","Ameijde, Jeroen van; Cowley, Andrew R.; Fleet, George W. J.; Nash, Robert J.; Iezzi Simone, Michela; Soengas, Raquel","5-Amino-5-deoxy-2-<i>C</i>-hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-talono-1,5-lactam","Acta Crystallographica Section E","2004","60","11","o2140","o2141","10.1107/S1600536804025292","","","0.71073","MoKα","","0.0334","0.0276","","0.0352","0.0343","0.0343","","","","","","1.0968","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204561","6.4765","0.0002","13.2189","0.0002","25.7075","0.0006","90","","90","","90","","2200.88","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2:5,6-Di-O-isopropylidene-2-C-hydroxymethyl-D-glucono-1,4-lactone","","- C19 H34 O7 Si -","- C19 H34 O7 Si -","- C76 H136 O28 Si4 -","4","1","RZ6004","Cowley, Andrew R.; Fleet, George W. J.; Iezzi Simone, Michela; Soengas, Raquel","3-<i>O</i>-<i>tert</i>-Butyldimethylsilyl-2,2':5,6-di-<i>O</i>-isopropylidene-2-<i>C</i>-hydroxymethyl-<small>D</small>-1,4-gluconolactone","Acta Crystallographica Section E","2004","60","11","o2142","o2143","10.1107/S1600536804025310","","","0.71073","MoKα","","0.048","0.0373","","0.0446","0.0396","0.0396","","","","","","1.1144","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204562","14.9344","0.0012","9.216","0.0006","30.256","0.003","90","","97.811","0.002","90","","4125.7","0.6","193.15","","193.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1H-benzotriazole-κN^3^)bis(isothiocyanato-κN)zinc(II) 1H-benzotriazole hemisolvate","","- C17 H12.5 N9.5 S2 Zn -","- C17 H12.5 N9.5 S2 Zn -","- C136 H100 N76 S16 Zn8 -","8","2","RZ6005","Ai-Hua Yuan; Hu Zhou","Bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)bis(isothiocyanato-κ<i>N</i>)zinc(II) 1<i>H</i>-benzotriazole hemisolvate","Acta Crystallographica Section E","2004","60","11","m1565","m1567","10.1107/S1600536804023475","","","0.71073","MoKα","","0.0623","0.0488","","","0.096","0.1026","","","","","","1.09","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204563","8.2446","0.0005","8.2446","0.0005","25.088","0.004","90","","90","","90","","1705.3","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(-)-α-isosparteine copper(II) dinitrite","[(6R,7S,8S,14R)-(-)-α-Isosparteine-κ^2^N,N']bis(nitrito-κ^2^O,O')copper(II)","","- C15 H26 Cu N4 O4 -","- C15 H26 Cu N4 O4 -","- C60 H104 Cu4 N16 O16 -","4","0.5","RZ6006","Shim, Yoon-Bo; Choi, Sung-Nak; Lee, Seung Jae; Kang, Sung Kwon; Lee, Yong-Min","[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>R</i>)-(‒)-α-Isosparteine-κ^2^<i>N</i>,<i>N</i>']bis(nitrito-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2004","60","11","m1573","m1575","10.1107/S1600536804024249","","","0.71073","MoKα","","0.0693","0.0398","","","0.0748","0.0827","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204564","7.508","0.002","7.605","0.002","16.271","0.003","79.23","0.03","81.42","0.03","68.91","0.03","848.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(4-Fluorobenzoyl)(1H-1,2,4-triazol-1-yl)methyl morpholine-4-carbodithioate","","- C15 H15 F N4 O2 S2 -","- C15 H15 F N4 O2 S2 -","- C30 H30 F2 N8 O4 S4 -","2","1","RZ6007","Liangzhong Xu; Chongyi Zhu; Yongqi Qin; Guanping Yu; Guodong Si","(4-Fluorobenzoyl)(1<i>H</i>-1,2,4-triazol-1-yl)methyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2004","60","11","o2099","o2100","10.1107/S1600536804026017","","","0.71073","MoKα","","0.1083","0.0529","","","0.0955","0.1119","","","","","","1.004","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204565","17.96","0.004","5.723","0.001","20.419","0.004","90","","99.72","0.02","90","","2068.6","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-Di-2-pyridylmethylenediamine","","- C11 H12 N4 -","- C11 H12 N4 -","- C88 H96 N32 -","8","1","RZ6008","Wu, Hui; Zhou, Jun; Yu, Hui-Zhen; Lu, Lei-Lei; Xu, Zhou; Yu, Kai-Bei; Shi, Da-Qing","<i>N</i>,<i>N</i>'-Di-2-pyridylmethylenediamine","Acta Crystallographica Section E","2004","60","11","o2085","o2086","10.1107/S1600536804025929","","","0.71073","MoKα","","0.0792","0.0393","","","0.0788","0.088","","","","","","0.812","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204566","13.534","0.003","5.071","0.001","21.294","0.006","90","","128.31","0.02","90","","1146.7","0.6","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(1H-Benzimidazole-κN^3^)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^O,N,O']copper(II) methanol solvate","","- C24 H24 Cu N4 O5 -","- C24 H24 Cu N4 O5 -","- C48 H48 Cu2 N8 O10 -","2","1","RZ6009","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","(1<i>H</i>-Benzimidazole-κ<i>N</i>^3^)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II) methanol solvate","Acta Crystallographica Section E","2004","60","11","m1675","m1677","10.1107/S1600536804026169","","","0.71073","MoKα","","0.05","0.039","","","0.085","0.089","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204567","17.617","0.004","8.363","0.003","23.099","0.004","90","","96.695","0.011","90","","3380","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[μ-3-(hydroxyimino)butan-2-one benzoylhydrazonato]bis[pyridinecopper(II)] methanol solvate","","- C33 H36 Cu2 N8 O5 -","- C33 H36 Cu2 N8 O5 -","- C132 H144 Cu8 N32 O20 -","4","0.5","SJ6009","Huo, Li-Hua; Lu, Zhen-Zhong; Gao, Shan; Zhao, Hui; Ng, Seik Weng","Bis[μ-3-(hydroxyimino)butan-2-one benzoylhydrazonato]bis[pyridinecopper(II)] methanol solvate","Acta Crystallographica Section E","2004","60","11","m1611","m1613","10.1107/S1600536804024523","","","0.71073","MoKα","","0.0906","0.0511","","","0.108","0.1218","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204568","8.7678","0.0005","17.6042","0.0009","17.973","0.0009","90","","90","","90","","2774.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methoxybenzaldehyde 4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thiosemicarbazone","","- C23 H29 N3 O10 S -","- C23 H29 N3 O10 S -","- C92 H116 N12 O40 S4 -","4","1","SJ6012","Shu-Sheng Zhang; Bo Yang; Ji-Zhi Li; Qing Liu; Xue-Mei Li; Kui Jiao; M. Kassim; Yamin, Bohari. M.","4-Methoxybenzaldehyde 4-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiosemicarbazone","Acta Crystallographica Section E","2004","60","11","o2050","o2052","10.1107/S1600536804025589","","","0.71073","MoKα","","0.1674","0.0722","","","0.1755","0.2164","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204569","6.978","0.003","7.298","0.003","16.064","0.007","77.05","0.006","83.614","0.006","86.078","0.007","791.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-phenylethyl-N'-[3-(trifluoromethyl)phenyl]thiourea","","- C16 H15 F3 N2 S -","- C16 H15 F3 N2 S -","- C32 H30 F6 N4 S2 -","2","1","SJ6015","Chopra, Deepak; Choudhury, A. R.; Nagarajan, K.; Guru Row, T. N.","<i>N</i>-Phenylethyl-<i>N</i>'-[3-(trifluoromethyl)phenyl]thiourea","Acta Crystallographica Section E","2004","60","11","o1970","o1971","10.1107/S1600536804024961","","","0.71073","MoKα","","0.1546","0.0887","","","0.1649","0.1861","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204570","16.8495","0.0009","12.1086","0.0009","12.357","0.0007","90","","90","","90","","2521.1","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans,trans,trans-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4- tetrahydronaphthalene","","- C10 H8 Br4 O2 -","- C10 H8 Br4 O2 -","- C80 H64 Br32 O16 -","8","1","SJ6017","Mehmet Akkurt; Ísmail Çelik; Ramazan Erenler; Osman Çakmak; Cem Cüneyt Ersanlı; Orhan Büyükgüngör","<i>trans,trans,trans</i>-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene","Acta Crystallographica Section E","2004","60","11","o2096","o2098","10.1107/S1600536804026042","","","0.71073","MoKα","","0.0724","0.0416","","","0.0732","0.0818","","","","","","1.016","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204571","7.7625","0.0014","11.2496","0.0019","17.542","0.003","90","","90","","90","","1531.9","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,1,1-Tris[(pyrrol-1-yl)methyl]ethane","","- C17 H21 N3 -","- C17 H21 N3 -","- C68 H84 N12 -","4","1","SU6135","Wei Xu; Yin-Xiang Lu; Zhen-Guang Zou; Chun-Ming Liu; Bi-Jian Lan; Hui Zhou","1,1,1-Tris[(pyrrol-1-yl)methyl]ethane: herring-bone packing of supramolecular assemblies in a homochiral crystal from chemically symmetric molecules","Acta Crystallographica Section E","2004","60","11","o2171","o2173","10.1107/S1600536804027011","","","0.71073","MoKα","","0.0622","0.057","","","0.1346","0.1379","","","","","","1.172","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204572","3.66","0.001","14.252","0.002","11.447","0.001","90","","98.09","0.01","90","","591.16","0.19","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Formyl-2-furanboronic acid","","- C5 H5 B O4 -","- C5 H5 B O4 -","- C20 H20 B4 O16 -","4","1","SU6141","Zarychta, Bartosz; Ejsmont, Krzysztof; Bujak, Maciej; Zaleski, Jacek; Sporzyński, Andrzej; Miśkiewicz, Agnieszka; Strutyńska, Agata; Serwatowski, Janusz","3-Formyl-2-furanboronic acid: X-ray and DFT studies","Acta Crystallographica Section E","2004","60","11","o1925","o1927","10.1107/S1600536804023293","","","0.71073","MoKα","","0.0542","0.0429","","","0.1009","0.1056","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204573","23.142","0.012","12.221","0.006","12.031","0.006","90","","94.484","0.009","90","","3392","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-meso-rac-[1,3-Bis(butylsulfanyl)propane-κ^2^S,S']dichloropalladium(II)","","- C11 H24 Cl2 Pd S2 -","- C11 H24 Cl2 Pd S2 -","- C88 H192 Cl16 Pd8 S16 -","8","2","SU6145","Chen, Wei; Wang, Jing-Kang; Li, Hong","<i>cis</i>-[1,3-Bis(butylsulfanyl)propane-κ^2^<i>S</i>,<i>S</i>']dichloropalladium(II): <i>meso</i> and <i>rac</i> forms in the same crystal structure","Acta Crystallographica Section E","2004","60","11","m1656","m1658","10.1107/S1600536804025735","","","0.71073","MoKα","","0.1091","0.0464","","","0.1018","0.1323","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204574","12.767","0.003","7.346","0.002","13.133","0.005","90","","90.66","0.03","90","","1231.6","0.6","298","1","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H22 Cu N4 O2 -","- C32 H22 Cu N4 O2 -","- C64 H44 Cu2 N8 O4 -","2","0.5","TK6188","Akitsu, Takashiro; Einaga, Yasuaki","Bis[2-(quinolin-3-yliminomethyl)phenolato-κ^2^<i>N,O</i>]copper(II)","Acta Crystallographica Section E","2004","60","11","m1552","m1554","10.1107/S1600536804023591","","","0.7107","MoKα","","","0.039","","","","0.112","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204575","15.7845","0.0016","10.09","0.0013","18.629","0.003","90","","90","","90","","2967","0.7","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Se-Phenyl 3-(1H-indol-3-yl)selenoacrylate","","- C17 H13 N O Se -","- C17 H13 N O Se -","- C136 H104 N8 O8 Se8 -","8","1","TK6191","Meza, Rosa-Luisa; Quintero, Leticia; Bernès, Sylvain","<i>Se</i>-Phenyl 3-(1<i>H</i>-indol-3-yl)selenoacrylate","Acta Crystallographica Section E","2004","60","11","o1961","o1963","10.1107/S1600536804024687","","","0.71073","MoKα","","0.121","0.045","","","0.086","0.108","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204576","9.511","0.003","11.496","0.003","11.528","0.004","90","","125.287","0.005","90","","1028.9","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-poly[[[tetraaquacobalt(II)]-μ-4,4-bipyridine-κ^2^N:N'] phthalate dihydrate]","","- C18 H24 Co N2 O10 -","- C18 H24.04 Co N2 O10 -","- C36 H48.08 Co2 N4 O20 -","2","0.5","WK6022","Xie, Cheng-Zhi; Zhang, Bao-Feng; Wang, Xiao-Qing; Shen, Guang-Qiu; Shen, De-Zhong","<i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] phthalate dihydrate]","Acta Crystallographica Section E","2004","60","11","m1703","m1705","10.1107/S1600536804025930","","","0.71073","MoKα","","0.052","0.036","","","0.078","0.084","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204577","5.7451","0.0005","9.157","0.0009","9.6247","0.0009","89.002","0.002","76.222","0.002","77.478","0.002","479.76","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Quinol‒Pyridine","Quinol‒Pyridine (1/1)","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","WK6031","Iain D. H. Oswald; W. D. Sam Motherwell; Simon Parsons","A 1:1 co-crystal of quinol and pyridine","Acta Crystallographica Section E","2004","60","11","o1967","o1969","10.1107/S1600536804024547","","","0.71073","MoKα","","0.058","0.048","","","0.113","0.12","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204578","7.7792","0.0003","8.7583","0.0003","10.2481","0.0002","71.159","0.002","69.668","0.002","67.949","0.001","591.76","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-Tetrakis(3-aminopyridine)dichlorocadmium(II)","","- C20 H24 Cd Cl2 N8 -","- C20 H24 Cd Cl2 N8 -","- C20 H24 Cd Cl2 N8 -","1","0.5","WK6033","He, Xiang; Lu, Can-Zhong; Yu, Ya-Qin; Chen, Shu-Mei; Xiao-Yuan Wu; Liu, Jiu-Hui","<i>trans</i>-Tetrakis(3-aminopyridine)dichlorocadmium(II)","Acta Crystallographica Section E","2004","60","11","m1639","m1640","10.1107/S1600536804025450","","","0.71073","MoKα","","0.0297","0.0285","","","0.1009","0.1059","","","","","","0.989","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204579","11.4935","0.0019","11.4717","0.0019","6.5297","0.0011","90","","90","","90","","860.9","0.2","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","Dilead pentaborate bromide","","- B5 Br O9 Pb2 -","- B5 Br O9 Pb2 -","- B20 Br4 O36 Pb8 -","4","1","WM6030","Yakubovich, Olga V.; Mochenova, Natalya N.; Dimitrova, Olga. V.; Massa, Werner","Reinvestigation of the Pb~2~[B~5~O~9~]Br structure based on single-crystal data","Acta Crystallographica, Section E","2004","60","11","i127","i130","10.1107/S1600536804023232","","","0.71073","MoKα","","0.0383","0.0344","","","0.0776","0.0803","","","","","","1.064","","","","has coordinates","282068","2023-03-26","10:12:36",""
"2204580","6.283","0.0009","8.0331","0.0006","7.8406","0.0007","90","","93.7","0.01","90","","394.91","0.07","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","","Europium(III) trioxoborate","Europium(III) trioxoborate","","- B3 Eu O6 -","- B3 Eu O6 -","- B12 Eu4 O24 -","4","0.5","WM6032","Goriounova, Alexandra; Held, Peter; Becker, Petra; Bohatý, Ladislav","Europium triborate, EuB~3~O~6~","Acta Crystallographica, Section E","2004","60","11","i131","i133","10.1107/S1600536804024353","","","0.71073","MoKα","","0.0497","0.0473","","","0.1048","0.1065","","","","","","1.089","","","","has coordinates","282068","2023-03-26","10:12:36",""
"2204581","6.4468","0.0002","8.1266","0.0003","7.93","0.0002","90","","93.639","0.006","90","","414.62","0.02","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","","Cerium(III) trioxoborate","Cerium(III) trioxoborate","","- B3 Ce O6 -","- B3 Ce O6 -","- B12 Ce4 O24 -","4","0.5","WM6033","Goriounova, Alexandra; Held, Peter; Becker, Petra; Bohatý, Ladislav","Cerium triborate, CeB~3~O~6~","Acta Crystallographica, Section E","2004","60","11","i134","i135","10.1107/S1600536804024365","","","0.71073","MoKα","","0.0315","0.0311","","","0.0857","0.0862","","","","","","1.191","","","","has coordinates","282068","2023-03-26","10:12:38",""
"2204582","9.6054","0.0006","6.9863","0.0005","12.2557","0.001","90","","90","","90","","822.43","0.1","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","diammonium tetrathiotungstate","","","- H8 N2 S4 W -","- H8 N2 S4 W -","- H32 N8 S16 W4 -","4","0.5","WM6034","Srinivasan, Bikshandarkoil R.; Poisot, Martha; Näther, Christian; Bensch, Wolfgang","Diammonium tetrathiotungstate(VI), (NH~4~)~2~[WS~4~], at 150K","Acta Crystallographica Section E","2004","60","11","i136","i138","10.1107/S1600536804023761","","","0.71073","MoKα","","0.0204","0.0183","","","0.047","0.0479","","","","","","1.097","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204583","11.63","0.006","10.02","0.004","16.3","0.01","90","","109.84","0.04","90","","1786.7","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1,3-dichloro-2-iodobenzene","","- C6 H2 Br Cl2 I -","- C6 H2 Br Cl2 I -","- C48 H16 Br8 Cl16 I8 -","8","2","WN6282","M. Arun Prasad; Babu Varghese; M. V. Sangaranarayanan","5-Bromo-1,3-dichloro-2-iodobenzene","Acta Crystallographica Section E","2004","60","11","o1933","o1934","10.1107/S160053680402392X","","","0.71073","MoKα","","0.0848","0.0572","","","0.1435","0.147","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204584","10.904","0.004","8.67","0.003","35.271","0.013","90","","90","","90","","3334","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Fluoro-N-[7-fluoro-3,4-dihydro-2-methyl-3-oxo-4-(prop-2-ynyl)- 2H-1,4-benzoxazin-6-yl]benzamide","","- C19 H14 F2 N2 O3 -","- C19 H14 F2 N2 O3 -","- C152 H112 F16 N16 O24 -","8","1","WN6284","Hou, Zhong-Ke; Ao, Cong-Cong; Song, Jian; Chen, Li-Gong","2-Fluoro-<i>N</i>-[7-fluoro-3,4-dihydro-2-methyl-3-oxo-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzoxazin-6-yl]benzamide","Acta Crystallographica Section E","2004","60","11","o1957","o1958","10.1107/S1600536804024304","","","0.71073","MoKα","","0.0907","0.0543","","","","0.1371","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204585","7.6623","0.0012","11.1298","0.0018","13.35","0.002","90","","100.547","0.003","90","","1119.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","7-Oxogedunin","1-(3-furyl)-4b,7,7,10a,12a-pentamethyl-1,6a,7,10a,10b,11,12,12a- octahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(3aH,4bH,6H)-trione","","- C26 H30 O6 -","- C26 H30 O6 -","- C52 H60 O12 -","2","1","WN6285","Watcharee Waratchareeyakul; Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Chatchanok Karalai; Chanita Ponglimanont","7-Oxogedunin","Acta Crystallographica Section E","2004","60","11","o1964","o1966","10.1107/S160053680402450X","","","0.71073","MoKα","","0.0551","0.0473","","","0.1067","0.1102","","","","","","1.112","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204586","5.0299","0.0012","9.777","0.002","28.007","0.008","90","","90","","90","","1377.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(3-pyridylmethyl)carbazole","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","WN6287","Duan, Xue-Min; Chen, Li-Gong; Xu, Yan-Jie; Li, Yang; Han, Juan; Li, Le-Ping","9-(3-Pyridylmethyl)carbazole","Acta Crystallographica Section E","2004","60","11","o1931","o1932","10.1107/S1600536804024444","","","0.71073","MoKα","","0.0598","0.0396","","","0.0876","0.0961","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204587","20.779","0.008","15.097","0.006","7.317","0.003","90","","96.624","0.007","90","","2280","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[4-(benzyloxy)phenyl]-5-(3,4-dimethoxyphenyl)-3,4-dimethylthiophene","","- C27 H26 O3 S -","- C27 H26 O3 S -","- C108 H104 O12 S4 -","4","1","WN6288","Shi, Ji-Xian; Zheng, Xiu-Fang; Zhu, Ke; Lei, Ying-Jie; Shi, Ji-Guang","2-[4-(Benzyloxy)phenyl]-5-(3,4-dimethoxyphenyl)-3,4-dimethylthiophene","Acta Crystallographica Section E","2004","60","11","o1977","o1978","10.1107/S1600536804024936","","","0.71073","MoKα","","0.1105","0.0574","","","0.1423","0.1778","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2204588","7.467","0.003","16.753","0.006","8.606","0.003","90","","101.587","0.007","90","","1054.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,6-Bis(1-phenyl-1H-tetrazol-5-ylsulfanyl)hexane","","- C20 H22 N8 S2 -","- C20 H22 N8 S2 -","- C40 H44 N16 S4 -","2","0.5","WN6289","Wang, Wei; Liu, Hui-Min; Zhang, Wen-Qin","1,6-Bis(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl)hexane","Acta Crystallographica Section E","2004","60","11","o1979","o1980","10.1107/S1600536804024948","","","0.71073","MoKα","","0.1008","0.0495","","","","0.1101","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204589","11.262","0.003","7.6872","0.0019","16.54","0.004","90","","93.26","0.02","90","","1429.6","0.6","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tlatlancuayin","2',5-dimethoxy-6,7-methylenedioxyisoflavone","","- C18 H14 O6 -","- C18 H14 O6 -","- C72 H56 O24 -","4","1","WN6290","Vašinová, Marie; Marek, Jaromír; Vančo, Ján; Suchý, Václav","Tlatlancuayin","Acta Crystallographica Section E","2004","60","11","o2019","o2021","10.1107/S160053680402536X","","","0.71073","MoKα","","0.043","0.0364","","","0.0902","0.0949","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204590","8.0627","0.0003","5.6494","0.0002","26.7944","0.0011","90","","94.13","0.001","90","","1217.3","0.08","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","WN6292","Mughal, Robila K.; Pritchard, Robin G.; Davey, Roger J.","(<i>RS</i>)-Benzyl mandelate","Acta Crystallographica Section E","2004","60","11","o1984","o1986","10.1107/S1600536804025024","","","0.71073","MoKα","","0.0665","0.0387","","","0.0799","0.0893","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204591","5.579","0.002","7.857","0.003","20.59","0.007","84.044","0.005","87.89","0.006","89.572","0.006","897.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,8-Bis(phenylthio)octane","","- C20 H26 S2 -","- C20 H26 S2 -","- C40 H52 S4 -","2","1","WN6295","Chen, Wei; Yin, Qiu-Xiang; Xie, Chuang; Wang, Jing-Kang; Li, Hong","1,8-Bis(phenylsulfanyl)octane","Acta Crystallographica Section E","2004","60","11","o2147","o2148","10.1107/S1600536804026893","","","0.71073","MoKα","","0.0838","0.0522","","","0.1159","0.1315","","","","","","1.042","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204592","16.6609","0.0001","10.4558","0.0009","17.4457","0.0002","90","","116.589","0.001","90","","2717.7","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5''-Benzylidene-1',1''-dimethyl-4'-phenyl-acenapthene-2-spiro-2'- pyrrolidine-3'-spiro-3''-piperidine-1,4''-dione","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C136 H120 N8 O8 -","4","1","WN6297","P. G. Aravindan; S. Selvanayagam; D. Velmurugan; K. Ravikumar; Gowri Sridhar; R. Raghunathan","5''-Benzylidene-1',1''-dimethyl-4'-phenylacenapthene-2-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-1,4''-dione","Acta Crystallographica Section E","2004","60","11","o2149","o2151","10.1107/S160053680402690X","","","0.71073","MoKα","","0.107","0.0702","","","0.15","0.1672","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204593","18.1752","0.0001","13.6193","0.0009","18.487","0.0001","90","","90","","90","","4576.2","0.3","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1'-Methyl-4'-phenyl-9H-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indol-2''(3''H)-one","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C240 H192 N16 O8 -","8","1","WN6298","P.G.Aravindan; S.Selvanayagam; D.Velmurugan; K.Ravikumar; J. Jayashankaran; R.Raghunathan","1'-Methyl-4'-phenyl-<i>H</i>-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indol-2''(3''<i>H</i>)-one","Acta Crystallographica Section E","2004","60","11","o2152","o2154","10.1107/S1600536804026911","","","0.71073","MoKα","","0.1226","0.0805","","","0.1596","0.1786","","","","","","1.124","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204594","8.5494","0.0009","9.5609","0.001","27.627","0.003","90","","98.78","0.002","90","","2231.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzyl 3,5-bis(1H-benzotriazol-1-ylmethyl)phenyl ether","","- C27 H22 N6 O -","- C27 H22 N6 O -","- C108 H88 N24 O4 -","4","1","WN6299","S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Dhanasekaran; P. Rajakumar","Benzyl 3,5-bis(1<i>H</i>-benzotriazol-1-ylmethyl)phenyl ether","Acta Crystallographica Section E","2004","60","11","o2165","o2167","10.1107/S1600536804027138","","","0.71073","MoKα","","0.0663","0.0493","","","0.1198","0.1301","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204595","16.396","0.004","31.633","0.008","7.1438","0.0019","90","","90","","90","","3705.2","1.6","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","1-Benzylsulfanyl-2-(benzylsulfanylmethyl)propanaminium chloride","","- C18 H24 Cl N S2 -","- C18 H24 Cl N S2 -","- C144 H192 Cl8 N8 S16 -","8","2","YA6215","Cline, Daniel J.; Schnieder, Joel P.; Thorpe, Colin; Yap, Glenn P. A.","1-Benzylsulfanyl-2-(benzylsulfanylmethyl)propanaminium chloride","Acta Crystallographica Section E","2004","60","11","o1972","o1974","10.1107/S1600536804024924","","","0.71073","MoKα","","0.05","0.048","","","0.125","0.127","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204596","16.6732","0.0018","16.674","0.002","39.267","0.008","90","","90","","90","","10917","3","293","2","293","2","","","","","","","","3","I b c a","-I 2b 2c","73","","1,2-Bis(3,5-dimethylpyrazol-1-yl)-anti-[2.2]paracyclonaphthane","","- C34 H32 N4 -","- C34 H32 N4 -","- C544 H512 N64 -","16","1","YA6218","Jun-Wen Wang; Hai-Bin Song; Feng-Bo Xu; Qing-Shan Li; Zheng-Zhi Zhang","1,2-Bis(3,5-dimethylpyrazol-1-yl)-<i>anti</i>-[2.2]paracyclonaphthane","Acta Crystallographica Section E","2004","60","11","o2047","o2049","10.1107/S1600536804025619","","","0.71073","MoKα","","0.107","0.05","","","0.114","0.145","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204597","6.741","0.003","15.58","0.03","15.126","0.006","90","","91.401","0.012","90","","1588","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-aminoethanesulfonato)-κ^3^N,O:O';κ^3^O':N,O;-bis[(bipyridine- κ^2^N,N')(perchlorate-κO)copper(II)]","","- C24 H28 Cl2 Cu2 N6 O14 S2 -","- C24 H28 Cl2 Cu2 N6 O14 S2 -","- C48 H56 Cl4 Cu4 N12 O28 S4 -","2","0.5","YA6222","Jin-Hua Cai; Yi-Min Jiang; Xiu-Jian Wang; Zhi-Min Liu","Bis(μ-2-aminoethanesulfonato)-κ^3^<i>N</i>,<i>O</i>:<i>O</i>';κ^3^<i>O</i>':<i>N</i>,<i>O</i>-bis[(bipyridine-κ^2^<i>N</i>,<i>N</i>')(perchlorato-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2004","60","11","m1659","m1661","10.1107/S1600536804025541","","","0.71073","MoKα","","0.051","0.038","","","0.114","0.166","","","","","","1.13","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204598","5.675","0.001","9.346","0.002","25.44","0.005","90","","92.06","0.03","90","","1348.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-Phenyl-1,2,4-oxadiazol-5-yl)-4H-1-benzopyran-3-ol","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","YA6223","Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang","2-(3-Phenyl-1,2,4-oxadiazol-5-yl)-4<i>H</i>-1-benzopyran-3-ol","Acta Crystallographica Section E","2004","60","11","o1917","o1918","10.1107/S1600536804024134","","","0.71073","MoKα","","0.073","0.043","","","0.146","0.176","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204599","12.785","0.004","14.47","0.005","12.488","0.004","90","","90","","90","","2310.3","1.3","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","2,3-Dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-1,4-dione","","- C24 H30 O8 -","- C24 H30 O8 -","- C96 H120 O32 -","4","0.5","YA6224","Hu, Qingping; Ma, Mingliang; Shi, Jixian; Li, Yan; Zhou, Hongyu","(2<i>RS</i>,3<i>RS</i>)-2,3-Dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-1,4-dione","Acta Crystallographica Section E","2004","60","11","o2101","o2102","10.1107/S1600536804026327","","","0.71073","MoKα","","0.073","0.042","","","0.099","0.12","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204600","10.036","0.003","10.384","0.003","13.384","0.003","107.744","0.005","93.331","0.005","118.732","0.005","1129.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","trans-Diaquabis[2-[3-(dimethylamino)prop-2-enoyl]pyridine]nickel(II) bis(tetrafluoroborate) dimethylformamide tetrasolvate","","- C32 H56 B2 F8 N8 Ni O8 -","- C32 H56 B2 F8 N8 Ni O8 -","- C32 H56 B2 F8 N8 Ni O8 -","1","0.5","AC6127","Ze-Qun Yan","<i>trans</i>-Diaquabis{2-[3-(dimethylamino)prop-2-enoyl]pyridine}nickel(II) bis(tetrafluoroborate) dimethylformamide tetrasolvate","Acta Crystallographica Section E","2004","60","12","m1957","m1958","10.1107/S1600536804029952","","","0.71073","MoKα","","0.1322","0.0742","","","0.1684","0.2005","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204601","10.204","0.003","8.775","0.003","15.128","0.004","90","","99.132","0.005","90","","1337.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7b-tert-Butyl-1a,2,5,6-tetrahydro-2-hydroxy-2-methyl-4H- oxireno[2,3-h]chromen-3(7bH)-one","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","AC6131","Chun-Hui Mao; Hai-Bin Song; Qing-Min Wang; Run-Qiu Huang; Li Chen; Jian Shang","7b-<i>tert</i>-Butyl-1a,2,5,6-tetrahydro-2-hydroxy-2-methyl-4<i>H</i>-oxireno[2,3-<i>h</i>]chromen-3(7b<i>H</i>)-one","Acta Crystallographica Section E","2004","60","12","o2264","o2265","10.1107/S1600536804028016","","","0.71073","MoKα","","0.0943","0.0534","","","0.1271","0.1468","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204602","6.8164","0.0017","7.2165","0.0018","7.2951","0.0018","111.4","0.01","104.57","0.01","101.06","0.01","306.93","0.14","174","2","174","2","","","","","","","","4","P -1","-P 1","2","","2,6-Difluorobenzonitrile","","- C7 H3 F2 N -","- C7 H3 F2 N -","- C14 H6 F4 N2 -","2","1","AC6132","Britton, Doyle","2,6-Difluorobenzonitrile","Acta Crystallographica Section E","2004","60","12","o2189","o2190","10.1107/S1600536804027400","","","0.71073","MoKα","","0.042","0.039","","","0.117","0.12","","","","","","1.112","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204603","7.2796","0.0005","11.7664","0.0008","9.4285","0.0006","90","","104.957","0.001","90","","780.23","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","p-nitrophenetole","1-ethoxy-4-nitrobenzene","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","AC6133","McBurney, Brian; Foss, Paul C. D.; Reed, Elizabeth M.; Shine, Timothy D.; Glagovich, Neil M.; Westcott, Barry L.; Crundwell, Guy; Zeller, Matthias; Hunter, Allen D.","1-Ethoxy-4-nitrobenzene","Acta Crystallographica Section E","2004","60","12","o2179","o2180","10.1107/S1600536804027412","","","0.71073","MoKα","","0.0491","0.0479","","","0.128","0.129","","","","","","1.22","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204604","11.6338","0.0004","10.3522","0.0003","17.2434","0.0005","90","","104.393","0.002","90","","2011.54","0.11","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Br P -","- C23 H26 Br P -","- C92 H104 Br4 P4 -","4","1","AC6135","Czerwinski, Edmund W.","Pentyltriphenylphosphonium bromide","Acta Crystallographica Section E","2004","60","12","o2393","o2394","10.1107/S1600536804029769","","","1.5418","CuKα","","0.0552","0.0397","","","","0.0892","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204605","20.6356","0.0003","32.5388","0.0006","9.724","0.0001","90","","90","","90","","6529.25","0.17","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Dichlorobis(triphenylphosphine oxide-κO)nickel(II)","","- C36 H30 Cl2 Ni O2 P2 -","- C36 H30 Cl2 Ni O2 P2 -","- C288 H240 Cl16 Ni8 O16 P16 -","8","0.5","AC6138","Moreno-Fuquen, Rodolfo; Cifuentes, Olga; Valderrama Naranjo, Jaime; Serratto, Luis Manuel; Kennedy, Alan R.","Dichlorobis(triphenylphosphine oxide-κ<i>O</i>)nickel(II)","Acta Crystallographica Section E","2004","60","12","m1861","m1862","10.1107/S1600536804029125","","","0.71073","MoKα","","0.0296","0.026","","","0.0617","0.0631","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204606","11.7361","0.0007","10.57","0.0007","16.0857","0.001","90","","95.574","0.003","90","","1986","0.2","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Hydroxymethyl-2,2-diphenylethyl 2,4,6-trimethylphenyl ketone","","- C25 H26 O2 -","- C25 H26 O2 -","- C100 H104 O8 -","4","1","AC6140","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Logaraj, Sundaram; Hurd, Phillip W.","1-Hydroxymethyl-2,2-diphenylethyl 2,4,6-trimethylphenyl ketone","Acta Crystallographica Section E","2004","60","12","o2432","o2433","10.1107/S1600536804030120","","","0.71073","MoKα","","0.0613","0.0416","","","0.0986","0.108","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204607","6.534","0.002","11.13","0.002","16.325","0.002","100.64","0.01","100.25","0.01","106.23","0.02","1086.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[3-(trimethylsilyl)propyl] methylenebisphosphonate","","- C13 H34 O6 P2 Si2 -","- C13 H34 O6 P2 Si2 -","- C26 H68 O12 P4 Si4 -","2","1","BR6168","McLauchlan, Craig C.; Stepinski, Dominique C.; Herlinger, Albert W.","Bis[3-(trimethylsilyl)propyl] methylenebisphosphonate","Acta Crystallographica Section E","2004","60","12","o2232","o2234","10.1107/S1600536804028028","","","0.71073","MoKα","","0.0815","0.0607","","","0.1591","0.178","","","","","","1.148","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204608","8.819","0.006","8.852","0.005","10.404","0.006","98.71","0.03","103.96","0.04","118.818","0.016","655.5","0.7","293","2","130.15","","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[bis(O,O'-diethyl dithiophosphato-κ^2^S,S')cadmium(II)]-μ-4,4'-bipyridine-N:N']","","- C18 H28 Cd N2 O4 P2 S4 -","- C18 H24 Cd N2 O4 P2 S4 -","- C18 H24 Cd N2 O4 P2 S4 -","1","0.5","BR6169","Tao Li; Zhi-Hua Li; Shao-Wu Du","<i>catena</i>-Poly[[bis(<i>O,O</i>'-diethyl dithiophosphato-κ^2^<i>S,S</i>')cadmium(II)]-μ-4,4'-bipyridine-<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","12","m1912","m1914","10.1107/S1600536804029721","","","0.71073","MoKα","","0.0563","0.0507","","","0.1311","0.1354","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204609","8.9013","0.0006","10.2224","0.0007","10.4902","0.0007","92.306","0.001","112.334","0.001","103.566","0.001","849.36","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-4-sulfobenzoato-κ^2^O:O')bis[aqua(2,2'-bipyridine-κ^2^N,N')copper(II)]","","- C34 H28 Cu2 N4 O12 S2 -","- C34 H28 Cu2 N4 O12 S2 -","- C34 H28 Cu2 N4 O12 S2 -","1","0.5","BR6171","Fan, Sai-Rong; Xiao, Hong-Ping; Zhang, Li-Ping; Zhu, Long-Guan","Bis(μ-4-sulfobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(2,2'-bipyridine-κ^2^<i>N,N</i>')copper(II)]","Acta Crystallographica Section E","2004","60","12","m1833","m1835","10.1107/S1600536804028958","","","0.71073","MoKα","","0.0337","0.0319","","","0.0873","0.0888","","","","","","1.074","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204610","7.441","0.001","11.502","0.002","12.492","0.002","98.8","0.03","106","0.03","95.47","0.03","1004.9","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","1,8-anthraquinono-18-crown-5 monohydrate","","- C22 H24 O8 -","- C22 H24 O8 -","- C44 H48 O16 -","2","1","BT6547","Weber, Edwin; Kunze, Denise; Seichter, Wilhelm","1,8-Anthraquinono-18-crown-5 monohydrate","Acta Crystallographica Section E","2004","60","12","o2331","o2333","10.1107/S1600536804029022","","","1.5418","CuKα","","0.1195","0.059","","","0.1814","0.218","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204611","17.228","0.003","14.464","0.003","13.556","0.003","90","","90","","90","","3378","1.2","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","Bis(μ-9-oxidofluorene-9-carboxylato-κ^3^O,O':O)bis[aqua(1H-imidazole- κN^3^)copper(II)] methanol solvate","","- C35 H32 Cu2 N4 O9 -","- C35 H32 Cu2 N4 O9 -","- C140 H128 Cu8 N16 O36 -","4","","BT6552","Huo, Li-Hua; Gao, Shan; Zhao, Hui; Ng, Seik Weng","Bis(μ-9-oxidofluorene-9-carboxylato-κ^3^<i>O,O</i>':<i>O</i>)bis[aqua(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)] methanol solvate","Acta Crystallographica Section E","2004","60","12","m1747","m1749","10.1107/S1600536804027096","","","0.71073","MoKα","","0.038","0.034","","","0.084","0.086","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2204612","7.986","0.002","23.781","0.005","17.868","0.004","90","","102.82","0.03","90","","3308.8","1.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(butane-2,3-dione monooxime benzoylhydrazone-κ^3^O,N,N')nickel(II) sulfate salicylhydroxamic acid","","- C29 H33 N7 Ni O11 S -","- C29 H33 N7 Ni O11 S -","- C116 H132 N28 Ni4 O44 S4 -","4","1","BT6553","Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","Bis(butane-2,3-dione monooxime benzoylhydrazone-κ^3^<i>O,N,N</i>')nickel(II) sulfate salicylhydroxamic acid","Acta Crystallographica Section E","2004","60","12","m1750","m1751","10.1107/S1600536804027102","","","0.71073","MoKα","","0.101","0.0592","","","0.1354","0.1519","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204613","6.8262","0.0009","10.951","0.001","14.761","0.001","97.259","0.002","103.386","0.002","106.018","0.002","1010.21","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-[(Z)-(4-Methoxyanilino)phenylmethylene]-5-methyl-2-phenyl-2H-pyrazol-3(4H)-one","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C48 H42 N6 O4 -","2","1","BT6554","Bao, Feng Bao; Lü, Xing-Qiang; Qiao, Yu-Qin; Wu, Qing; Ng, Seik Weng","4-[(<i>Z</i>)-(4-Methoxyanilino)phenylmethylene]-5-methyl-2-phenyl-2<i>H</i>-pyrazol-3(4<i>H</i>)-one","Acta Crystallographica Section E","2004","60","12","o2191","o2192","10.1107/S160053680402728X","","","0.71073","MoKα","","0.054","0.04","","","0.111","0.124","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204614","15.643","0.003","10.258","0.002","16.563","0.003","90","","116.49","0.03","90","","2378.8","1","298","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3,4-dibenzoyl-2,5-dimethylpyrrol-1-yl)-4-methoxybenzamide","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C112 H96 N8 O16 -","4","1","BT6555","Gao, Shan; Huo, Li-Hua; Ng, Seik Weng","A monoclinic modification of <i>N</i>-(3,4-dibenzoyl-2,5-dimethylpyrrol-1-yl)-4-methoxybenzamide","Acta Crystallographica Section E","2004","60","12","o2193","o2194","10.1107/S1600536804027291","","","0.71073","MoKα","","0.07","0.051","","","0.128","0.139","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204615","17.993","0.004","6.528","0.001","12.501","0.003","90","","127.74","0.03","90","","1161.2","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Hydroxypyridinium nitrate 4-hydroxypyridine","","- C10 H11 N3 O5 -","- C10 H11 N3 O5 -","- C40 H44 N12 O20 -","4","0.5","BT6556","Gao, Shan; Lu, Zhen-Zhong; Huo, Li- Hua; Zain, Shariffudin M.; Ng, Seik Weng","Rerefinement of the co-crystal of 4-hydroxypyridine with 4-hydroxypyridinium nitrate","Acta Crystallographica Section E","2004","60","12","o2195","o2196","10.1107/S1600536804027308","","","0.71073","MoKα","","0.05","0.037","","","0.11","0.117","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204616","11.8535","0.0007","8.6424","0.0005","21.0047","0.0013","90","","101.451","0.001","90","","2108.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(1-{[2-oxido-4-(2-hydroxyethoxy)phenyl]methyl}ethylidene)ethane- 1,2-diamine]copper(II)","","- C22 H26 Cu N2 O6 -","- C22 H26 Cu N2 O6 -","- C88 H104 Cu4 N8 O24 -","4","1","BT6558","G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; N. Senthil Kumar; A. Raghavan; A. Sultan Nasar","[<i>N,N</i>'-Bis(1-{[2-oxido-4-(2-hydroxyethoxy)phenyl]methyl}ethylidene)ethane-1,2-diamine]copper(II)","Acta Crystallographica Section E","2004","60","12","m1772","m1774","10.1107/S1600536804027692","","","0.71073","MoKα","","0.0472","0.0379","","","0.1018","0.1076","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204617","10.026","0.003","10.123","0.003","12.363","0.004","95.51","0.03","107.26","0.03","98.19","0.03","1173.3","0.7","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","1,1-Diphenyl-2,2-bis(trimethylsilylethynyl)ethene","","- C24 H28 Si2 -","- C24 H28 Si2 -","- C48 H56 Si4 -","2","1","BT6559","Berger, Harald; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.","1,1-Diphenyl-2,2-bis(trimethylsilylethynyl)ethene","Acta Crystallographica Section E","2004","60","12","o2209","o2210","10.1107/S1600536804027448","","","0.71073","MoKα","","0.0685","0.0484","","","0.1119","0.1238","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204618","11.0573","0.0008","14.4144","0.001","23.1203","0.0017","90","","96.946","0.001","90","","3658","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bis[bis(p-dimethylaminophenyl)tellura-di-tert-butylstannoxacarbonate]","tetra-tert-butyl-di-μ~3~-carbonato-tetrakis[4-(N,N-dimethylamino)phenyl]di- μ-oxo-ditelluriumditin chloroform tetrasolvate","","- C54 H80 Cl12 N4 O8 Sn2 Te2 -","- C54 H80 Cl12 N4 O8 Sn2 Te2 -","- C108 H160 Cl24 N8 O16 Sn4 Te4 -","2","0.5","BT6560","Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Mitchell, Cassandra","A dimeric tellurastannoxane carbonate cluster, tetra-<i>tert</i>-butyl-di-μ~3~-carbonato-tetrakis[4-(<i>N</i>,<i>N</i>-dimethylamino)phenyl]di-μ-oxo-ditelluriumditin chloroform tetrasolvate","Acta Crystallographica Section E","2004","60","12","m1978","m1979","10.1107/S1600536804028120","","","0.71073","MoKα","","0.0762","0.0545","","","0.1046","0.1114","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204619","8.2296","0.0006","8.6309","0.0007","13.4708","0.001","75.085","0.006","88.71","0.006","77.777","0.006","903.1","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis(3,4-dicyanophenoxy)benzene","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C44 H20 N8 O4 -","2","1","BT6561","Deveci, Özlem; Işık, Şamil; Yavuz, Metin; Akdemir, Nesuhi; Ağar, Erbil; Kantar, Cihan","1,3-Bis(3,4-dicyanophenoxy)benzene","Acta Crystallographica Section E","2004","60","12","o2309","o2310","10.1107/S1600536804028545","","","0.71073","MoKα","","0.0899","0.0649","","","0.1655","0.1862","","","","","","0.955","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204620","12.5693","0.0004","4.8531","0.0001","17.2663","0.0005","90","","99.1624","0.0015","90","","1039.81","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Acetamido-4,5-dinitrotoluene","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C36 H36 N12 O20 -","4","1","BT6562","Watkin, David J.; Motherwell, W. D. S.; Copper, Richard I.; Pantos, Stefan","2-Acetamido-4,5-dinitrotoluene: a test molecule for the CCDC `Blind Structure Prediction Test, 2004'","Acta Crystallographica Section E","2004","60","12","o2295","o2297","10.1107/S1600536804028491","","","0.71073","MoKα","","0.051","0.051","","0.0953","0.0953","0.0953","","","","","","1.0014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204621","13.9704","0.0008","19.559","0.0012","14.1646","0.0009","90","","96.9","0.001","90","","3842.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N-[(1S,2S,3R)-2-Bromo-3-(tert-butyldiphenylsilyloxy)-1-phenyl-4- (phenylsulfonyl)butyl]-4-methylbenzenesulfonamide","","- C39 H42 Br N O5 S2 Si -","- C39 H42 Br N O5 S2 Si -","- C156 H168 Br4 N4 O20 S8 Si4 -","4","1","BT6563","K. Ravikumar; G. Y. S. K. Swamy; S. Raghavan; Ch. Naveenkumar","<i>N</i>-[(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-Bromo-3-(<i>tert</i>-butyldiphenylsilyloxy)-1-phenyl-4-(phenylsulfonyl)butyl]-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2004","60","12","o2290","o2292","10.1107/S1600536804028314","","","0.71073","MoKα","","0.0931","0.0514","","","0.1141","0.1303","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204622","20.681","0.002","9.885","0.0009","28.44","0.002","90","","100.368","0.004","90","","5719.1","0.9","173","2","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ~2~-phosphindolyl)(μ~2~-1-phenyl-phosphind-2-yl-C,P)bis(manganese- tetracarbonyl)","","- C30 H16 Mn2 O8 P2 -","- C30 H16 Mn2 O8 P2 -","- C240 H128 Mn16 O64 P16 -","8","1","BV6005","Andreas Decken; Wilkins, Brianne E.; Bottomley, Frank","A novel coordination mode for a phospholyl ligand: μ-phosphindolyl-κ^2^<i>P</i>:<i>P</i>-μ-1-phenyl-phosphindolyl-κ^2^<i>C</i>^2^:<i>P</i>-bis[tetracarbonylmanganese(I)]","Acta Crystallographica Section E","2004","60","12","m1985","m1986","10.1107/S1600536804030892","","","0.71073","MoKα","","0.1235","0.0723","","","0.169","0.1811","","","","","","0.966","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204623","10.769","0.008","24.58","0.02","13.274","0.012","90","","103","0.03","90","","3424","5","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^N,N')iron(III) trinitrate monohydrate","","- C36 H26 Fe N9 O10 -","- C36 H26 Fe N9 O10 -","- C144 H104 Fe4 N36 O40 -","4","0.5","CF6374","Odoko, Mamiko; Okabe, Nobuo","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(III) trinitrate monohydrate","Acta Crystallographica Section E","2004","60","12","m1822","m1824","10.1107/S1600536804027345","","","0.7107","MoKα","","","0.043","","","","0.123","","","","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204624","7.028","0.007","11.527","0.015","17.85","0.02","72.36","0.04","88.96","0.03","75.55","0.04","1332","3","296.1","","","","","","","","","","","5","P -1","-P 1","2","","(Oxalato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')palladium(II) monohydrate","","- C14 H10 N2 O5 Pd -","- C14 H10 N2 O5 Pd -","- C56 H40 N8 O20 Pd4 -","4","2","CF6375","Odoko, Mamiko; Wang, Yue; Okabe, Nobuo","(Oxalato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate","Acta Crystallographica Section E","2004","60","12","m1825","m1827","10.1107/S1600536804027357","","","0.7107","MoKα","","","0.025","","","","0.073","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204625","9.535","0.003","9.72","0.003","11.955","0.004","96.928","0.004","95.608","0.004","107.68","0.004","1037.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(ethylenediamine-κ^2^N,N')copper(II)]-μ~3~- 2,3-dimercaptobutenedinitrile-κ^4^N:S,S':N'-[(2,3-dimercaptobutenedinitrile- κ^4^S,S',N,N')cuprate(II)]]","","- C12 H16 Cu2 N8 S4 -","- C12 H16 Cu2 N8 S4 -","- C24 H32 Cu4 N16 S8 -","2","1","CF6376","Fu, Ai-Yun; Wang, Da-Qi; Sun, De-Zhi","<i>catena</i>-Poly[[bis(ethylenediamine-κ^2^<i>N,N</i>')copper(II)]-μ~3~-1,2-dicyanoethylenedithiolato-κ^4^<i>N</i>:<i>S,S</i>':<i>N</i>'-[(1,2-dicyanoethylenedithiolato-κ^2^<i>S,S</i>')cuprate(II)]]","Acta Crystallographica Section E","2004","60","12","m1869","m1871","10.1107/S1600536804027461","","","0.71073","MoKα","","0.0587","0.0359","","","0.0664","0.0709","","","","","","0.997","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204626","13.49","0.003","12.103","0.002","15.62","0.003","90","","101.331","0.003","90","","2500.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(ethylenediamine-κ^2^N,N')cadmium(II) bis[2,3-dimercaptobutenedinitrile(2-)-κ^2^S,S']cuprate(II)","","- C14 H24 Cd Cu N10 S4 -","- C14 H24 Cd Cu N10 S4 -","- C56 H96 Cd4 Cu4 N40 S16 -","4","0.5","CF6378","Wang, Da-Qi; Fu, Ai-Yun; Wei, Xi-Lian","Tris(ethylenediamine-κ^2^<i>N,N</i>')cadmium(II) bis(1,2-dicyanoethylenedithiolato-κ^2^<i>S,S</i>')cuprate(II)","Acta Crystallographica Section E","2004","60","12","m1872","m1874","10.1107/S1600536804027473","","","0.71073","MoKα","","0.0432","0.0343","","","0.0893","0.0948","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204627","12.631","0.005","8.329","0.005","17.982","0.008","90","","119.11","0.03","90","","1652.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-5-methyl-7,8-dihydro-6H- cyclopenta[e][1,3]oxazolo[3,2-a]pyridin-9-ium perchlorate","","- C17 H15 Cl2 N O5 -","- C17 H15 Cl2 N O5 -","- C68 H60 Cl8 N4 O20 -","4","1","CF6383","Dmitry V. Albov; Victor B. Rybakov; Eugene V. Babaev; Leonid A. Aslanov","2-(4-Chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>e</i>][1,3]oxazolo[3,2-<i>a</i>]pyridin-9-ium perchlorate","Acta Crystallographica Section E","2004","60","12","o2313","o2314","10.1107/S1600536804026777","","","1.5418","CuKα","","0.0453","0.0449","","","0.1017","0.1019","","","","","","0.79","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204628","11.946","0.002","9.7085","0.0019","15.247","0.003","90","","99.26","0.03","90","","1745.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4-[(2-butyl-4-chloro-5-formyl-1H-imidazol-1-yl)methyl]benzoate","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","1","CF6384","Fengke Yang; Hailian Xiao; Fangfang Jian","Methyl 4-[(2-butyl-4-chloro-5-formyl-1<i>H</i>-imidazol-1-yl)methyl]benzoate","Acta Crystallographica Section E","2004","60","12","o2266","o2267","10.1107/S1600536804027084","","","0.71073","MoKα","","0.1216","0.0586","","","0.1342","0.1784","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204629","5.812","0.003","14.276","0.008","13.878","0.007","90","","98.344","0.008","90","","1139.3","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-fluorobenzaldehyde picoloylhydrazone","4-fluorobenzaldehyde (pyridine-2-carbonyl)hydrazone","","- C13 H10 F N3 O -","- C13 H10 F N3 O -","- C52 H40 F4 N12 O4 -","4","1","CF6386","Shao, Si-Chang; You, Zhong-Lu; Shao-Hua Fan; Tang, Lu-Lu; Lin, Yong-Shan; Zhu, Hai-Liang","4-Fluorobenzaldehyde picoloylhydrazone","Acta Crystallographica Section E","2004","60","12","o2181","o2182","10.1107/S1600536804027369","","","0.71073","MoKα","","0.085","0.0541","","","0.1268","0.1445","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204630","12.191","0.003","9.398","0.003","21.624","0.006","90","","103.415","0.004","90","","2409.9","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-nitrobenzaldehyde picoloylhydrazone","2-nitrobenzaldehyde (pyridine-2-carbonyl)hydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C104 H80 N32 O24 -","8","1","CF6387","Shao, Si-Chang; You, Zhong-Lu; Shao-Hua Fan; Tang, Lu-Lu; Xiong, Zhong-Duo; Zhu, Hai-Liang","2-Nitrobenzaldehyde picoloylhydrazone","Acta Crystallographica Section E","2004","60","12","o2183","o2184","10.1107/S1600536804027370","","","0.71073","MoKα","","0.0521","0.0428","","","0.1152","0.1219","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204631","8.499","0.007","13.783","0.011","9.82","0.008","90","","105.64","0.011","90","","1107.7","1.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyridine-2-carboxaldehyde picoloylhydrazone","pyridine-2-carboxaldehyde (pyridine-2-carbonyl)hydrazone","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","CF6388","Shao, Si-Chang; You, Zhong-Lu; Tang, Lu-Lu; Lin, Yong-Shan; Zhu, Hai-Liang","Pyridine-2-carboxaldehyde picoloylhydrazone","Acta Crystallographica Section E","2004","60","12","o2185","o2186","10.1107/S1600536804027382","","","0.71073","MoKα","","0.1358","0.0689","","","0.1186","0.136","","","","","","0.902","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204632","7.07","0.003","25.214","0.009","7.87","0.003","90","","113.541","0.005","90","","1286.2","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-nitrobenzaldehyde salicylhydrazone","2-nitrobenzaldehyde (2-hydroxybenzoyl)hydrazone","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","CF6389","Shao, Si-Chang; You, Zhong-Lu; Xiong, Zhong-Duo; Chen, Bo; Zhu, Hai-Liang","2-Nitrobenzaldehyde salicylhydrazone","Acta Crystallographica Section E","2004","60","12","o2187","o2188","10.1107/S1600536804027394","","","0.71073","MoKα","","0.0752","0.0491","","","0.1118","0.1248","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204633","9.139","0.003","15.48","0.006","16.24","0.006","90","","95.168","0.007","90","","2288.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Diaquabis[4-(4-methylphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4- triazole]nickel(II) diperchlorate tetrahydrate","","- C38 H42 Cl2 N10 Ni O14 -","- C38 H38 Cl2 N10 Ni O14 -","- C76 H76 Cl4 N20 Ni2 O28 -","2","0.5","CI6467","Shao, Si-Chang; Liu, Zhao-Di; Zhu, Hai-Liang","<i>trans</i>-Diaquabis[4-(4-methylphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole]nickel(II) diperchlorate tetrahydrate","Acta Crystallographica Section E","2004","60","12","m1815","m1816","10.1107/S1600536804028557","","","0.71073","MoKα","","0.1585","0.0653","","","0.1408","0.1711","","","","","","0.842","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204634","10.835","0.008","9.882","0.008","17.73","0.0012","90","","101.84","0.03","90","","1858","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Isopropoxy[2'-(2-methoxybenzoyl)-2- oxidobenzohydrazidato](isopropoxy)oxovanadium(V)","","- C18 H19 N2 O6 V -","- C18 H19 N2 O6 V -","- C72 H76 N8 O24 V4 -","4","1","CI6468","Li-Juan Chen; Ming-Xing Yang; Shen Lin","Isopropoxy[2'-(2-methoxybenzoyl)-2-oxidobenzohydrazidato]oxovanadium(V)","Acta Crystallographica Section E","2004","60","12","m1881","m1882","10.1107/S1600536804026832","","","0.71073","MoKα","","0.0502","0.0386","","","0.112","0.1168","","","","","","1.081","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204635","8.534","0.007","34.067","0.01","10.458","0.005","90","","98.91","0.05","90","","3004","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Bis(pyridine-2-carbonyl)-1-(2-pyridyl)-3,5-bis(4-tolyl)cyclohex-1-ol","","- C37 H33 N3 O3 -","- C37 H33 N3 O3 -","- C148 H132 N12 O12 -","4","1","CI6471","K. R. Krishnapriya; N. Sampath; S. Aravindhan; M. N. Ponnuswamy; M. Kandaswamy","2,4-Bis(pyridine-2-carbonyl)-1-(2-pyridyl)-3,5-di-<i>p</i>-tolylcyclohex-1-ol","Acta Crystallographica Section E","2004","60","12","o2353","o2355","10.1107/S1600536804028648","","","0.71073","MoKα","","0.1744","0.059","","","0.1579","0.1982","","","","","","0.944","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204636","7.003","0.002","9.537","0.004","12.54","0.003","100.397","0.0015","98.808","0.0015","94.549","0.0015","809.1","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,5-Dimethyl-4-[(4-nitrobenzylidene)amino]-2-phenyl-2,3-dihydro-1<i>H</i>- pyrazol-3-one","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C36 H32 N8 O6 -","2","1","CI6472","Li, Zong-Xiao; Zhang, Xin-Li","1,5-Dimethyl-4-[(4-nitrobenzylidene)amino]-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","Acta Crystallographica Section E","2004","60","12","o2199","o2200","10.1107/S1600536804027126","","","0.71073","MoKα","","0.2324","0.0836","","","0.1647","0.2322","","","","","","0.927","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204637","9.6559","0.0011","14.983","0.0016","16.5393","0.0019","90","","102.754","0.002","90","","2333.8","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Cyclopropyl-9-(3-methoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl- 1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C108 H132 N4 O16 -","4","1","CI6474","Shujiang Tu; Xiaojing Zhang; Jianin Xu","10-Cyclopropyl-9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2004","60","12","o2328","o2330","10.1107/S1600536804028612","","","0.7107","MoKα","","0.0791","0.0607","","","0.129","0.1385","","","","","","1.134","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204638","23.594","0.007","5.7205","0.0016","18.223","0.005","90","","93.308","0.006","90","","2455.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-benzylaminopyridine)silver(I) perchlorate","","- C24 H24 Ag Cl N4 O4 -","- C24 H24 Ag Cl N4 O4 -","- C96 H96 Ag4 Cl4 N16 O16 -","4","1","CI6475","Chong-Qing Wan; Qing-Shan Li; Hai-Bin Song; Feng-Bo Xu; Zheng-Zhi Zhang","Bis[2-(benzylamino)pyridine-κ<i>N</i>]silver(I) perchlorate","Acta Crystallographica Section E","2004","60","12","m1973","m1975","10.1107/S1600536804030703","","","0.71073","MoKα","","0.1883","0.0672","","","0.1498","0.2003","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204640","7.696","0.002","10.759","0.002","10.9","0.002","100.54","0.03","99.51","0.03","96.76","0.03","864.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[μ-ethylenediamine-κ^2^N:N'-bis[(ethylenediamine- κ^2^N,N')silver(I)] [silver(I)-μ-barbiturato-κ^2^N:N']] dihydrate]","","- C22 H48 Ag4 N10 O8 -","- C22 H48 Ag4 N10 O8 -","- C22 H48 Ag4 N10 O8 -","1","0.5","CI6478","Liu, Zhao-Di; Zhu, Hai-Liang","<i>catena</i>-Poly[[μ-ethylenediamine-κ^2^<i>N</i>:<i>N</i>'-bis[(ethylenediamine-κ^2^<i>N,N</i>')silver(I)] bis[silver(I)-μ-barbiturato-κ^2^<i>N</i>:<i>N</i>']] dihydrate]","Acta Crystallographica Section E","2004","60","12","m1883","m1885","10.1107/S1600536804028661","","","0.71073","MoKα","","0.0781","0.0597","","","0.1435","0.1517","","","","","","0.935","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204641","8.0201","0.0009","12.098","0.0013","22.173","0.003","90","","90","","90","","2151.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","7-Methoxy-2,3-dihydro-1H-cyclopenta[b]chromen-1-one","7-Methoxy-2,3-dihydro-1H-cyclopenta[b]chromen-1-one","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","CI6480","Huo, Fangjun; Yin, Caixia; Yang, Pin","7-Methoxy-2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]chromen-1-one","Acta Crystallographica Section E","2004","60","12","o2278","o2280","10.1107/S1600536804028478","","","0.71073","MoKα","","0.0693","0.0576","","","0.1344","0.1434","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204642","42.152","0.008","7.643","0.002","12.435","0.002","90","","93.03","0.03","90","","4000.6","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 Ag N3 O4 -","- C7 H10 Ag N3 O4 -","- C112 H160 Ag16 N48 O64 -","16","2","CI6483","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","A silver(I) complex with Ag···Ag interactions: diamminesilver(I) <i>p</i>-nitrobenzoate","Acta Crystallographica Section E","2004","60","12","m1903","m1905","10.1107/S1600536804029459","","","0.71073","MoKα","","0.0921","0.0419","","","0.0787","0.0942","","","","","","0.88","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204643","11.7722","0.0013","14.401","0.0016","14.9053","0.0017","90","","105.285","0.002","90","","2437.5","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(ethylenediamine-κ^2^N,N')zinc(II) bis(1,2-dicyanoethylenedithiolato-κ^2^S,S')cuprate(II)","","- C14 H24 Cu N10 S4 Zn -","- C14 H24 Cu N10 S4 Zn -","- C56 H96 Cu4 N40 S16 Zn4 -","4","0.5","CI6485","Da-Qi, Wang; Ai-Yun, Fu; Jin-Yu, He","Tris(ethylenediamine-κ^2^<i>N,N</i>')zinc(II) bis(1,2-dicyanoethylenedithiolato-κ^2^<i>S,S</i>')cuprate(II)","Acta Crystallographica Section E","2004","60","12","m1915","m1917","10.1107/S1600536804029630","","","0.71073","MoKα","","0.033","0.025","","","0.061","0.065","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204644","9.971","0.004","13.239","0.005","13.649","0.005","111.141","0.006","103.553","0.006","107.231","0.006","1482.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N'-tert-Butyl-N'-(3,5-dimethylbenzoyl)-N-(4-carboxyphenoxy)oxalyl- N-(4-ethylbenzoyl)hydrazine","","- C31 H32 N2 O7 -","- C31 H32 N2 O7 -","- C62 H64 N4 O14 -","2","1","CI6486","Chun-Hui Mao; Hai-Bin Song; Qing-Min Wang; Run-Qiu Huang; Li Chen; Jian Shang","<i>N</i>'-<i>tert</i>-Butyl-<i>N</i>'-(3,5-dimethylbenzoyl)-<i>N</i>-(4-carboxyphenoxy)oxalyl-<i>N</i>-(4-ethylbenzoyl)hydrazine","Acta Crystallographica Section E","2004","60","12","o2522","o2524","10.1107/S1600536804030685","","","0.71073","MoKα","","0.0996","0.0516","","","0.1235","0.1511","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204645","7.124","0.0009","7.7627","0.0009","8.1191","0.0009","108.15","0.009","92.225","0.01","94.531","0.01","424.37","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(pyridine-2-carboxamide-κ^2^N^1^,O^2^)copper(II) squarate","","- C16 H16 Cu N4 O8 -","- C16 H16 Cu N4 O8 -","- C16 H16 Cu N4 O8 -","1","0.5","CI6487","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Ölmez, Halİs; Büyükgüngör, Orhan","Diaquabis(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II) squarate","Acta Crystallographica Section E","2004","60","12","m1945","m1948","10.1107/S1600536804030090","","","0.71073","MoKα","","0.0295","0.0249","","","0.0707","0.0716","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204646","8.7438","0.0013","16.341","0.002","16.46","0.002","68.442","0.011","76.059","0.012","75.827","0.012","2090.8","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","4-indol-2,6-bis(4-methoxyphenyl)pyridine","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","2","CI6488","Shujiang Tu; Tuanjie Li; Fang Fang","4-(1<i>H</i>-Indol-3-yl)-2,6-bis(4-methoxyphenyl)pyridine","Acta Crystallographica Section E","2004","60","12","o2457","o2459","10.1107/S1600536804030387","","","0.7107","MoKα","","0.0983","0.0741","","","0.1352","0.1445","","","","","","1.16","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204647","8.5398","0.0014","10.1117","0.0013","12.729","0.002","72.153","0.014","81.338","0.016","65.053","0.013","948.4","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","4-(4-chlorophenyl)-6-(4-methoxyphenyl) 2-amino-3-ethoxycarbonly-pyridine","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C42 H38 Cl2 N4 O6 -","2","1","CI6489","Yuezhao Zhu; Shujiang Tu; Fang Fang; Jianing Xu","Ethyl 2-amino-4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate","Acta Crystallographica Section E","2004","60","12","o2460","o2461","10.1107/S1600536804030302","","","0.7107","MoKα","","0.0587","0.0498","","","0.1103","0.1148","","","","","","1.108","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204648","9.6864","0.0013","9.9047","0.0014","10.8332","0.0015","66.933","0.002","77.581","0.002","64.206","0.002","859.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-4-sulfonatobenzoato- κ^2^O^4^:O^1^]","","- C19 H14 Cu N2 O6 S -","- C19 H14 Cu N2 O6 S -","- C38 H28 Cu2 N4 O12 S2 -","2","1","CI6490","Fan, Sai-Rong; Xiao, Hong-Ping; Zhang, Li-Ping; Cai, Guo-Qiang; Zhu, Long-Guan","Poly[[aqua(1,10-phenanthroline-κ^2^<i>N,N</i>')copper(II)]-μ-4-sulfonatobenzoato-κ^2^<i>O</i>^4^:<i>O</i>^1^]","Acta Crystallographica Section E","2004","60","12","m1970","m1972","10.1107/S1600536804030697","","","0.71073","MoKα","","0.0282","0.0269","","","0.0743","0.0751","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204649","11.7547","0.0011","16.6566","0.0011","7.2986","0.0006","90","","101.722","0.007","90","","1399.2","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-amino-5-benzoyl-4-phenylpyrimidin-2(1H)-one","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","CI6491","Dege, Necmi; Şekerci, Memet; Çetin, Ahmet; Dinçer, Muharrem; Gülcan, Mehmet; Cansız, Ahmet; Büyükgüngör, Orhan","1-Amino-5-benzoyl-4-phenylpyrimidin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","12","o2476","o2478","10.1107/S1600536804030338","","","0.71073","MoKα","","0.0547","0.0373","","","0.0977","0.1047","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204650","9.1365","0.0002","9.3759","0.0002","10.9936","0.0003","113.675","0.001","92.35","0.001","93.164","0.002","859.11","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine","","- C19 H22 Cl N O3 -","- C19 H22 Cl N O3 -","- C38 H44 Cl2 N2 O6 -","2","1","CV6382","Yan, Jizhong; Cheng, Dongping","6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1<i>H</i>-3-benzazepine","Acta Crystallographica Section E","2004","60","12","o2268","o2269","10.1107/S1600536804026248","","","0.71069","MoKα","","0.0663","0.0441","","","0.0988","0.1066","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204651","11.0108","0.0006","7.8652","0.0004","27.999","0.001","90","","90","","90","","2424.8","0.2","105","2","105","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(2-Furyl)-3-hydroxy-1-phenylpenta-2,4-dien-1-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","CV6401","Arrieta, Antonio F.; Mostad, Arvid","5-(2-Furyl)-3-hydroxy-1-phenylpenta-2,4-dien-1-one","Acta Crystallographica Section E","2004","60","12","o2444","o2446","10.1107/S1600536804030193","","","0.71073","MoKα","","0.0678","0.0302","","","0.0586","0.0615","","","","","","0.742","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204652","7.111","0.001","7.14","0.001","12.765","0.003","87.77","0.03","75.86","0.03","77.36","0.03","613.2","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethylenediammonium bis(3-carboxy-4-hydroxybenzenesulfonate) tetrahydrate","","- C16 H28 N2 O16 S2 -","- C16 H28 N2 O16 S2 -","- C16 H28 N2 O16 S2 -","1","0.5","CV6403","Gao, Shan; Huo, Li- Hua; Ng, Seik Weng","Ethylenediammonium bis(3-carboxy-4-hydroxybenzenesulfonate) tetrahydrate","Acta Crystallographica Section E","2004","60","12","o2197","o2198","10.1107/S1600536804027278","","","0.71073","MoKα","","0.05","0.044","","","0.134","0.143","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204653","22.802","0.004","14.879","0.002","14.635","0.002","90","","109.69","0.01","90","","4674.9","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{2-[2'-(Diethylcarbamoylmethoxy)-1,1'-binaphthyl-2-yloxy]-N,N-diethylacetamide- κ^4^O}(2,4,6-trinitrophenolato)manganese(II)","","- C44 H40 Mn N8 O18 -","- C44 H40 Mn N8 O18 -","- C176 H160 Mn4 N32 O72 -","4","0.5","CV6404","Ya-Wen Wang; Yan-Ling Guo; Wei-Sheng Liu; Kai-Bei Yu","{2-[2'-(Diethylcarbamoylmethoxy)-1,1'-binaphth-2-yloxy]-<i>N</i>,<i>N</i>-diethylacetamide-κ^4^<i>O</i>}(2,4,6-trinitrophenolato)manganese(II)","Acta Crystallographica Section E","2004","60","12","m1801","m1802","10.1107/S1600536804028107","","","0.71073","MoKα","","0.0814","0.0399","","","0.0847","0.0937","","","","","","0.824","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204654","8.8214","0.0018","9.936","0.002","16.392","0.003","100.57","0.03","92.76","0.03","95.88","0.03","1401.6","0.5","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","tetra-μ-methacrylato-κ^8^O:O'-bis[(pyridine-κN)copper(II)]","","- C26 H30 Cu2 N2 O8 -","- C26 H30 Cu2 N2 O8 -","- C52 H60 Cu4 N4 O16 -","2","1","CV6405","Wu, Bin; Wang, Guocheng","Tetra-μ-methacrylato-κ^8^<i>O</i>:<i>O</i>'-bis[(pyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2004","60","12","m1764","m1765","10.1107/S160053680402759X","","","0.71069","MoKα","","0.0475","0.0333","","","0.0743","0.0792","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204655","7.3916","0.0003","15.7043","0.0007","13.735","0.0005","90","","102.436","0.0013","90","","1556.95","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzylideneacetone 2,4-dinitrophenylhydrazone","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C64 H56 N16 O16 -","4","1","CV6406","Shang Shan; Zheng Fan; Wei-Xiao Hu; Duan-Jun Xu","Benzylideneacetone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section E","2004","60","12","o2473","o2475","10.1107/S1600536804029873","","","0.71069","MoKα","","0.064","0.048","","","0.117","0.127","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204656","7.585","0.002","8.443","0.002","10.631","0.003","67.801","0.004","74.187","0.004","85.328","0.005","606.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,1',8,8'-Tetramethoxy-10,10'-bianthrone","1,1',8,8'-tetramethoxy-9,9'-bianthracene-10,10'(9H,9'H)-dione","","- C32 H26 O6 -","- C32 H26 O6 -","- C32 H26 O6 -","1","0.5","CV6407","Shi, Zheng-Wei; Li, Yi-Zhi; Li, Ying; Lu, Guo-Yuan; Liu, Shan-Hui","1,1',8,8'-Tetramethoxy-10,10'-bianthrone","Acta Crystallographica Section E","2004","60","12","o2275","o2277","10.1107/S1600536804028168","","","0.71073","MoKα","","0.0737","0.059","","","0.1068","0.1154","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204657","9.6148","0.0016","8.9986","0.0016","19.437","0.003","90","","101.399","0.005","90","","1648.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-[(2,4-Dichlorobenzoyl)methyl]-4-(N,N-dimethylamino)pyridinium bromide","","- C15 H15 Br Cl2 N2 O -","- C15 H15 Br Cl2 N2 O -","- C60 H60 Br4 Cl8 N8 O4 -","4","1","CV6408","Sundar, T. V.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Walfort,B.; Lang, H.","1-[(2,4-Dichlorobenzoyl)methyl]-4-(<i>N,N</i>-dimethylamino)pyridinium bromide","Acta Crystallographica Section E","2004","60","12","o2345","o2346","10.1107/S1600536804029083","","","0.71073","MoKα","","0.035","0.0265","","","0.0668","0.0708","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204658","7.3357","0.0001","12.1537","0.0002","20.3204","0.0001","90","","90","","90","","1811.68","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16α,17-epoxy-4-pregnene-3,20-dione","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","CV6409","Shi Wang; Yongli Wang; Qiang Nie; Lina Zhou; Jiehua Wu","16α,17-Epoxy-4-pregnene-3,20-dione","Acta Crystallographica Section E","2004","60","12","o2337","o2338","10.1107/S1600536804029095","","","0.71073","MoKα","","0.0774","0.0381","","","0.0812","0.0924","","","","","","0.834","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204659","18.99","0.006","5.829","0.002","8.839","0.003","90","","90","","90","","978.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(R,R)-N,N'-Bis(5-chloro-salicylidene)-1,2-cyclohexanediamine","(R,R)-4,4'-dichloro-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol","","- C20 H20 Cl2 N2 O2 -","- C20 H20 Cl2 N2 O2 -","- C40 H40 Cl4 N4 O4 -","2","0.5","CV6411","Yang, Ming-Hua; Li, Yi-Zhi; Zhu, Cheng-Jian; Pan, Yi; Liu, Shan-Hui","(<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>'-Bis(5-chlorosalicylidene)-1,2-cyclohexanediamine","Acta Crystallographica Section E","2004","60","12","o2397","o2398","10.1107/S1600536804029319","","","0.71073","MoKα","","0.0628","0.0538","","","0.1492","0.1549","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204660","7.6851","0.0014","8.8523","0.0016","25.104","0.004","86.897","0.003","88.293","0.003","72.739","0.003","1628.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorophenyl)3-(4-trifluoromethylbenzoylhydrazino)prop-2-en-1-one","","- C17 H12 Cl F3 N2 O2 -","- C17 H12 Cl F3 N2 O2 -","- C68 H48 Cl4 F12 N8 O8 -","4","2","CV6412","Li-Rong Wen; Wei-Si Guo; Ming Li; Xue-Mei Li; Shu-Sheng Zhang; Ping-Kai Ouyang; Zi-Qin Ke","1-(4-Chlorophenyl)-3-(4-trifluoromethylbenzoylhydrazino)-2-propenone","Acta Crystallographica Section E","2004","60","12","o2468","o2470","10.1107/S1600536804030223","","","0.71073","MoKα","","0.1031","0.0608","","","0.1556","0.189","","","","","","1.09","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204661","10.1244","0.0019","10.571","0.002","11.508","0.002","95.838","0.003","107.625","0.003","104.906","0.003","1112.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one","","- C11 H10 Cl N3 O -","- C11 H10 Cl N3 O -","- C44 H40 Cl4 N12 O4 -","4","2","CV6414","Liang-Zhong Xu; Hai-Bin Song; Jin-Hong Liu; Kai Li; Guo-Dong Shi","1-(4-Chlorophenyl)-3-(1<i>H</i>-1,2,4-triazol-1-yl)propan-1-one","Acta Crystallographica Section E","2004","60","12","o2404","o2405","10.1107/S160053680402985X","","","0.71073","MoKα","","0.0629","0.0395","","","0.0991","0.1148","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204662","10.567","0.008","6.674","0.005","19.427","0.015","90","","91.715","0.012","90","","1369.5","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Captafol","2-(1,1,2,2-Tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydro-1H-isoindole- 1,3(2H)-dione","","- C10 H9 Cl4 N O2 S -","- C10 H9 Cl4 N O2 S -","- C40 H36 Cl16 N4 O8 S4 -","4","1","CV6417","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","2-(1,1,2,2-Tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2004","60","12","o2406","o2407","10.1107/S1600536804029988","","","0.71073","MoKα","","0.1251","0.0967","","","0.2309","0.2309","","","","","","1.165","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204663","7.9107","0.0006","21.5276","0.0017","14.2691","0.0011","90","","94.573","0.002","90","","2422.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxycarbonyl-2-methyl-1H-benzimidazol-3-ium nitrate hemihydrate","","- C10 H12 N3 O5.5 -","- C10 H12 N3 O5.5 -","- C80 H96 N24 O44 -","8","2","CV6421","Cai-Feng Ding; Shu-Sheng Zhang; Xue-Mei Li; Hong Xu; Ping-Kai Ouyang","6-Methoxycarbonyl-2-methyl-1<i>H</i>-benzimidazol-3-ium nitrate hemihydrate","Acta Crystallographica Section E","2004","60","12","o2441","o2443","10.1107/S1600536804030235","","","0.71073","MoKα","","0.1924","0.0779","","","0.1911","0.2486","","","","","","0.974","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204664","5.82","0.0003","8.0891","0.0005","23.3254","0.0018","90","","90","","90","","1098.13","0.12","193","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","CV6422","Meltzer, Martin von; Marsch, Michael; Carell, Thomas; Harms, Klaus","(1<i>S</i>,2<i>R</i>,4<i>S</i>,5<i>R</i>)-<i>tert</i>-Butyl 7-oxo-3-oxa-6-azatricyclo[3.2.1.0^2,4^]octane-6-carboxylate","Acta Crystallographica Section E","2004","60","12","o2515","o2516","10.1107/S1600536804030879","","","0.71073","MoKα","","","0.0307","","","","0.0738","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204665","5.806","0.0018","13.25","0.004","18.81","0.006","90","","90.802","0.007","90","","1446.9","0.8","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-3-(4-chlorophenyl)-3,4-dihydroquinazolin-2(1H)-one‒acetone (2/1)","","- C15.5 H13 Cl2 N2 O1.5 -","- C15.5 H13 Cl2 N2 O1.5 -","- C62 H52 Cl8 N8 O6 -","4","1","DN6162","Da-Qing Shi; Zheng-Yi Li; Chunl-Ling Shi; Xiang-Shan Wang; Yong Zhang","6-Chloro-3-(4-chlorophenyl)-3,4-dihydroquinazolin-2(1<i>H</i>)-one acetone hemisolvate","Acta Crystallographica Section E","2004","60","12","o2465","o2467","10.1107/S160053680403020X","","","0.7107","MoKα","","0.0517","0.0471","","","0.1091","0.1119","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2204666","23.939","0.005","7.143","0.0014","22.029","0.004","90","","113.73","0.03","90","","3448.4","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(2-Fluoro-5-methylbenzoyl)-N-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanethioamide","","- C18 H15 F N4 O S -","- C18 H15 F N4 O S -","- C144 H120 F8 N32 O8 S8 -","8","1","DN6167","Liangzhong Xu; Yongqi Qin; Chongyi Zhu; Shuanghua Yang; Kai Li","2-(2-Fluoro-5-methylbenzoyl)-<i>N</i>-phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanethioamide","Acta Crystallographica Section E","2004","60","12","o2207","o2208","10.1107/S1600536804027436","","","0.71073","MoKα","","0.1686","0.0639","","","0.0881","0.1104","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204667","12.3833","0.0012","7.2297","0.0005","15.8926","0.0015","90","","95.488","0.007","90","","1416.3","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzyl-4-(4-methylphenyl)-1H-1,2,4-triazole-5(4H)-thione","","- C16 H15 N3 S -","- C16 H15 N3 S -","- C64 H60 N12 S4 -","4","1","DN6168","Sema Öztürk Yıldırım; Mehmet Akkurt; Metin Koparır; Ahmet Cansız; Memet Şekerci; Frank W. Heinemann","3-Benzyl-4-(4-methylphenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","12","o2281","o2283","10.1107/S1600536804028302","","","0.71069","MoKα","","0.0616","0.038","","","0.077","0.0835","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204668","9.9388","0.0011","12.3703","0.0013","14.4034","0.0017","97.105","0.013","90.644","0.013","105.358","0.012","1692.7","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Di-μ-chloro-bis[chloro(η^6^-1,2,4- trimethylbenzene)ruthenium(II)]‒dichloromethane (3/2)","","- C18.67 H35.33 Cl5.333 Ru2 -","- C18.6667 H25.3333 Cl5.33333 Ru2 -","- C56 H76 Cl16 Ru6 -","3","1.5","DN6170","Therrien, Bruno; Süss-Fink, Georg","Di-μ-chloro-bis[chloro(η^6^-1,2,4-trimethylbenzene)ruthenium(II)]‒dichloromethane (3/2)","Acta Crystallographica Section E","2004","60","12","m1766","m1768","10.1107/S160053680402745X","","","0.71073","MoKα","","0.0823","0.0525","","","0.1276","0.1356","","","","","","0.932","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204669","9.556","0.0003","15.4559","0.0005","12.0143","0.0003","90","","108.904","0.002","90","","1678.76","0.09","296","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 O P -","- C21 H17 O P -","- C84 H68 O4 P4 -","4","1","DN6171","Wei-Ming Xu; Xiu-Rong Hu; Jian-Ming Gu","[1-(Diphenylphosphinoyl)propa-1,2-dienyl]benzene","Acta Crystallographica Section E","2004","60","12","o2214","o2215","10.1107/S1600536804027710","","","0.7107","MoKα","","","0.051","","","","0.175","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204670","7.036","0.002","10.336","0.003","13.814","0.003","90","","90","","90","","1004.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,9S)-4-Hydroxymethyl-3,8-dioxa-1,6-diazaspiro[4.4]nonane-2,7-dithione monohydrate","","- C6 H10 N2 O4 S2 -","- C6 H10 N2 O4 S2 -","- C24 H40 N8 O16 S8 -","4","1","DN6173","Cioci, Gianluca; Leconte, Nicolas; Tatibouët, Arnaud; Rollin, Patrick; Pérez, Serge; Imberty, Anne","(4<i>R</i>,9<i>S</i>)-4-Hydroxymethyl-3,8-dioxa-1,6-diazaspiro[4.4]nonane-2,7-dithione monohydrate","Acta Crystallographica Section E","2004","60","12","o2399","o2401","10.1107/S1600536804029885","","","1.54178","CuKα","","0.0513","0.051","","","0.1297","0.1302","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204671","20.784","0.002","9.321","0.0006","11.9373","0.0011","90","","106.719","0.007","90","","2214.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Morpholinoethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)- 4-methylhex-4-enoate","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","DN6174","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Nagaraja, Padmarajaiah; Bolte, Michael","Mycophenolate mofetil","Acta Crystallographica Section E","2004","60","12","o2223","o2224","10.1107/S1600536804027539","","","0.71073","MoKα","","0.0576","0.0426","","","0.1136","0.1182","","","","","","0.968","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204672","12.0767","0.0011","19.3499","0.0012","7.8018","0.0007","90","","107.482","0.007","90","","1738.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N O3 -","- C18 H24 Cl N O3 -","- C72 H96 Cl4 N4 O12 -","4","1","DN6175","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Narasegowda, Rajenahally S.; Nagarajab, Padmarajaiah; Bolte, Michael","A monoclinic polymorph of isoxsuprine hydrochloride","Acta Crystallographica Section E","2004","60","12","o2228","o2229","10.1107/S1600536804027904","","","0.71073","MoKα","","0.0386","0.0332","","","0.0921","0.0949","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204673","11.4345","0.0007","11.4345","0.0007","9.8068","0.0012","90","","90","","90","","1282.22","0.19","295","2","295","2","","","","","","","","4","I 41","I 4bw","80","Diphenyltellurium dibromide","Dibromodiphenyltellurium","","- C12 H10 Br2 Te -","- C12 H10 Br2 Te -","- C48 H40 Br8 Te4 -","4","0.5","DN6177","Beckmann, Jens; Dakternieks, Dainis; Duthie, Andrew; Mitchell, Cassandra","Dibromodiphenyltellurium(IV)","Acta Crystallographica Section E","2004","60","12","o2511","o2512","10.1107/S1600536804028284","","","0.71073","MoKα","","0.0314","0.0287","","","0.0693","0.07","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204674","13.592","0.003","17.817","0.004","15.066","0.004","90","","100.238","0.003","90","","3590.4","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[η^6^-2-(2-Methylbenzoyloxy)ethyl methacrylate]bis(η^6^-1,2,4,5-tetramethylbenzene)tri-μ-hydrido-μ~3~-oxo- triruthenium(II)(3 Ru—Ru) tetrafluoroborate","","- C34 H47 B F4 O5 Ru3 -","- C34 H47 B F4 O5 Ru3 -","- C136 H188 B4 F16 O20 Ru12 -","4","1","DN6178","Vieille-Petit, Ludovic; Therrien, Bruno; Buryak, Andrey; Severin, Kay; Süss-Fink, Georg","[η^6^-2-(2-Methylbenzoyloxy)ethyl methacrylate]bis(η^6^-1,2,4,5-tetramethylbenzene)tri-μ-hydrido-μ~3~-oxo-triruthenium(II)(3 <i>Ru{—</i>Ru}) tetrafluoroborate","Acta Crystallographica Section E","2004","60","12","m1909","m1911","10.1107/S1600536804029642","","","0.71073","MoKα","","0.0882","0.0386","","","0.074","0.0868","","","","","","0.902","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204675","8.4613","0.0011","9.8923","0.0013","11.4305","0.0015","91.463","0.002","96.002","0.002","101.119","0.002","932.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","N-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzamide","","- C18 H9 Cl2 F3 N4 O -","- C18 H9 Cl2 F3 N4 O -","- C36 H18 Cl4 F6 N8 O2 -","2","1","DN6181","Zhong, Ping; Yang, Zhiping; Li, Shuyan; Tang, Riyuan","<i>N</i>-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5-yl}benzamide","Acta Crystallographica Section E","2004","60","12","o2395","o2396","10.1107/S1600536804029940","","","0.71073","MoKα","","0.0919","0.0664","","","0.1518","0.168","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204676","7.99","0.007","14.675","0.013","5.707","0.005","90","","104.271","0.013","90","","648.5","1","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[sodium(I)-μ~3~-bis(ethylenedioxy)borato]","","- C4 H8 B Na O4 -","- C4 H8 B Na O4 -","- C16 H32 B4 Na4 O16 -","4","0.5","ER6002","Gainsford, Graeme J.; Kemmitt, Tim","Poly[sodium(I)-μ~3~-bis(ethylenedioxy)borato]","Acta Crystallographica Section E","2004","60","12","m1943","m1944","10.1107/S160053680402999X","","","0.71073","MoKα","","0.0698","0.0491","","","0.1312","0.1405","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204677","8.3099","0.0017","9.896","0.002","16.986","0.003","75.95","0.03","75.93","0.03","87.62","0.03","1314.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","aqua[p-phenylenebis(dioxyacetato)-κO]tetrakis(1H-imidazole-κN^3^)nickel(II) monohydrate","","- C22 H28 N8 Ni O8 -","- C22 H28 N8 Ni O8 -","- C44 H56 N16 Ni2 O16 -","2","1","ER6004","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Aqua(benzene-1,3-dioxyacetato-κ<i>O</i>)tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) monohydrate","Acta Crystallographica Section E","2004","60","12","m1754","m1756","10.1107/S1600536804027709","","","0.71073","MoKα","","0.0714","0.046","","","0.1031","0.1116","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204678","10.0255","0.0003","10.1273","0.0004","19.4485","0.0006","90","","91.931","0.002","90","","1973.51","0.12","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-Butylbenzyl)-3-phenylinden-1-one","","- C26 H24 O -","- C26 H24 O -","- C104 H96 O4 -","4","1","ER6005","Karban, James W.; Morgan, Jennifer L.; Dees, Johnna M.; Klausmeyer, Kevin K.","2-(4-<i>tert</i>-Butylbenzyl)-3-phenylinden-1-one","Acta Crystallographica Section E","2004","60","12","o2304","o2305","10.1107/S1600536804028399","","","0.71073","MoKα","","0.0684","0.047","","","0.1252","0.137","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204679","17.7935","0.0004","10.2712","0.0003","32.8924","0.0008","90","","100.002","0.0011","90","","5920.1","0.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-Bipyridyl-2-ium aqua(2,2'-bipyridyl-κ^2^N,N')tetakis(nitrato-κ^2^O,O')praseodymium(III) 2,2'-bipyridyl solvate","","- C50 H46 N18 O26 Pr2 -","- C50 H46 N18 O26 Pr2 -","- C200 H184 N72 O104 Pr8 -","4","0.5","FL6127","Charushnikova, Iraida A.; Den Auwer, Christophe","2,2'-Bipyridyl-2-ium aqua(2,2'-bipyridyl-κ^2^<i>N,N</i>')tetakis(nitrato-κ^2^<i>O,O</i>')praseodymium(III) 2,2'-bipyridyl hemisolvate","Acta Crystallographica Section E","2004","60","12","m1775","m1777","10.1107/S160053680402762X","","","0.71073","MoKα","","0.0357","0.0292","","","0.0649","0.0673","","","","","","1.132","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2204680","6.8202","0.0014","25.024","0.005","6.1958","0.0012","90","","90","","90","","1057.4","0.4","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","catena-poly[[aquabis(p-nitrobenzoate-κO)copper(II)]- μ-1,4-diazabicyclo[2.2.2]octane-κ^2^N:N']","","- C20 H22 Cu N4 O9 -","- C20 H22 Cu N4 O9 -","- C40 H44 Cu2 N8 O18 -","2","0.25","FL6130","Zhi-Dong Lin; Lu, Jin-Yu","The infinite one-dimensional polymer <i>catena</i>-poly[[aquabis(<i>p</i>-nitrobenzoato-κ<i>O</i>)copper(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2004","60","12","m1798","m1800","10.1107/S1600536804027977","","","0.71073","MoKα","","0.0758","0.074","","","0.1635","0.1642","","","","","","1.377","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204681","8.703","0.002","13.791","0.003","19.623","0.004","90","","93.8","0.02","90","","2350","0.9","102","","102","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H27 N3 O8 Zn -","- C20 H27 N3 O8 Zn -","- C80 H108 N12 O32 Zn4 -","4","0.5","FL6131","R. Seth Baker; Richard E. Norman","Bis(acetato-κ<i>O</i>)[bis(2-pyridylmethyl)amine-κ^3^<i>N,N</i>',<i>N</i>'']zinc(II)‒acetic acid (1/2)","Acta Crystallographica Section E","2004","60","12","m1761","m1763","10.1107/S1600536804027618","","","0.7107","MoKα","","0.0765","0.0731","","0.1717","","0.1501","","","0.9898","","","1.0129","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204682","4.9589","0.0012","16.872","0.004","10.711","0.002","90","","94.53","0.005","90","","893.4","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[4-chloro-2-(2-hydroxyethyliminomethyl)phenolato-κ^2^N,O]copper(II)","","- C18 H18 Cl2 Cu N2 O4 -","- C18 H18 Cl2 Cu N2 O4 -","- C36 H36 Cl4 Cu2 N4 O8 -","2","0.5","FL6134","Huiyan Liu; Haiying Wang; Dezhong Niu; Zaisheng Lu","Bis[4-chloro-2-(2-hydroxyethyliminomethyl)phenolato-κ^2^<i>N,O</i>]copper(II)","Acta Crystallographica Section E","2004","60","12","m1941","m1942","10.1107/S1600536804029733","","","0.7107","MoKα","","0.0326","0.0293","","","0.0688","0.071","","","","","","1.122","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204683","7.7545","0.0002","23.8945","0.0006","9.4462","0.0002","90","","111.644","0.001","90","","1626.88","0.07","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro(tripyridyldiamine)cadmium(II)","(Tripyridyldiamino) Cadmium(II) chloride","","- C15 H13 Cd Cl2 N5 -","- C15 H13 Cd Cl2 N5 -","- C60 H52 Cd4 Cl8 N20 -","4","1","FL6135","Huang, Ling; Tang, Shi-Hua; Fang, Xiao-Niu; Zeng, Xi-Rui","[2,6-Bis(2-pyridylamino)pyridine]dichlorocadmium(II)","Acta Crystallographica Section E","2004","60","12","m1963","m1965","10.1107/S1600536804030351","","","0.71073","MoKα","","0.0364","0.0256","","","0.061","0.0638","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204684","14.9111","0.0015","8.7445","0.0009","10.4465","0.001","90","","90","","90","","1362.1","0.2","198","2","198","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-Hydroxy-2-phenyl-4,7-dihydroisophosphindolinium chloride","2-hydroxy-2-phenyl-1,3,4,7-tetrahydroisophosphindenium chloride","","- C14 H16 Cl O P -","- C14 H16 Cl O P -","- C56 H64 Cl4 O4 P4 -","4","1","GH6002","Andreas Decken; Erin D. Gill; Frank Bottomley","2-Hydroxy-2-phenyl-4,7-dihydroisophosphindolinium chloride","Acta Crystallographica Section E","2004","60","12","o2221","o2222","10.1107/S1600536804027606","","","0.71073","MoKα","","0.0264","0.0254","","","0.0649","0.0659","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204685","9.452","0.004","9.629","0.005","15.136","0.005","74.051","0.018","79.192","0.012","60.608","0.01","1151.8","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Diphenyl 2-(α,α,4-trichlorobenzyl)phenyl phosphate","","- C25 H18 Cl3 O4 P -","- C25 H18 Cl3 O4 P -","- C50 H36 Cl6 O8 P2 -","2","1","GH6003","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Meng, Lily Y. C.; Chang, Tsung C.","Diphenyl 2-(α,α,4-trichlorobenzyl)phenyl phosphate","Acta Crystallographica Section E","2004","60","12","o2230","o2231","10.1107/S1600536804026066","","","0.71073","MoKα","","0.035","0.0283","","","0.0704","0.0726","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204686","6.8504","0.0008","7.3247","0.0009","9.574","0.0011","87.965","0.002","85.299","0.002","64.705","0.002","432.87","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Pyridyl)pyrrolidine-2-thione","","- C9 H10 N2 S -","- C9 H10 N2 S -","- C18 H20 N4 S2 -","2","1","GH6004","Datt, Michael S.; Koning, Charles B. de; Fernandes, Manuel A.; Michael, Joseph P.","1-(2-Pyridyl)pyrrolidine-2-thione","Acta Crystallographica Section E","2004","60","12","o2298","o2300","10.1107/S160053680402820X","","","0.71073","MoKα","","0.0556","0.043","","","0.1219","0.1294","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204687","7.3827","0.0009","14.1462","0.0017","18.077","0.002","90","","90","","90","","1887.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Prop-2-ynyl 1,2,3,4-tetra-O-acetyl-β-D-glucopyranuronate","","- C17 H20 O11 -","- C17 H20 O11 -","- C68 H80 O44 -","4","1","GH6005","Temelkoff, David P.; Norris, Peter; Zeller, Matthias","Prop-2-ynyl 1,2,3,4-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranuronate","Acta Crystallographica Section E","2004","60","12","o2273","o2274","10.1107/S1600536804028405","","","0.71073","MoKα","","0.0435","0.043","","","0.1053","0.1056","","","","","","1.191","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204688","8.851","0.002","9.858","0.002","17.255","0.003","90","","94.99","0.03","90","","1499.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxyphenyl)-2-(2-nitrophenoxy)propan-1-one","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","GH6006","Vencato, Ivo; Ferri, Pedro H.; Santos, Suzana C.; Santos, Lourivaldo S.; Lariucci, Carlito; Napolitano, Hamilton B.","1-(4-Methoxyphenyl)-2-(2-nitrophenoxy)propan-1-one","Acta Crystallographica Section E","2004","60","12","o2498","o2500","10.1107/S1600536804030260","","","0.71073","MoKα","","0.059","0.042","","","0.118","0.129","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204689","9.354","0.003","6.7787","0.0012","9.566","0.003","90","","102.72","0.005","90","","591.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","N-tert-Butyl-4-chloro-5-methyl-2-nitroaniline","","- C11 H15 Cl N2 O2 -","- C11 H15 Cl N2 O2 -","- C22 H30 Cl2 N4 O4 -","2","0.5","GH6007","Zhang, Ying; Feng, Tian-Yang; Li, Shu-Yi","<i>N</i>-<i>tert</i>-Butyl-4-chloro-5-methyl-2-nitroaniline","Acta Crystallographica Section E","2004","60","12","o2501","o2502","10.1107/S1600536804030570","","","0.71073","MoKα","","0.0634","0.036","","","0.0855","0.0985","","","","","","1.052","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204690","8.4851","0.0002","8.6566","0.0002","13.6425","0.0003","106.36","0.003","91.712","0.002","92.95","0.003","959.19","0.04","293","","293","","","","","","","","","4","P -1","-P 1","2","Trimethoprim hydrogenmalonate","2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium hydrogen malonate","","- C17 H22 N4 O7 -","- C17 H22 N4 O7 -","- C34 H44 N8 O14 -","2","1","HB6113","Madhukar Hemamalini; Packianathan Thomas Muthiah; Ray J. Butcher","Trimethoprim‒hydrogen malonate (1/1)","Acta Crystallographica Section E","2004","60","12","o2350","o2352","10.1107/S1600536804028867","","","1.54178","CuKα","","0.0567","0.054","","","0.1503","0.1555","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204691","10.9455","0.0007","12.1212","0.0008","15.5145","0.0011","67.355","0.005","74.854","0.005","74.044","0.005","1798.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,10-phenanthroline)(pyridine-2,6-dicarboxylato)cadmium(II)‒pyridine-2,6- dicarboxylic acid‒water (1/1/4)","","- C38 H32 Cd N6 O12 -","- C38 H29 Cd N6 O12 -","- C76 H58 Cd2 N12 O24 -","2","1","HB6114","Ramezanipour, Farshid; Aghabozorg, Hossein; Sheshmani, Shabnam; Moghimi, Abolghasem; Stoeckli-Evans, Helen","Bis(1,10-phenanthroline)(pyridine-2,6-dicarboxylato)cadmium(II)‒pyridine‒2,6-dicarboxylic acid‒water (1/1/4)","Acta Crystallographica Section E","2004","60","12","m1803","m1805","10.1107/S160053680402803X","","","0.71073","MoKα","","0.0341","0.0273","","","0.068","0.07","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204692","15.4635","0.0008","24.1703","0.0011","28.5358","0.0011","90","","105.181","0.001","90","","10293.3","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","tetrakis(tetraphenylphosphonium) dodecacyano-hexahedro-tetratelluriumtetrarhenium(IV) trihydrate","","- C108 H86 N12 O3 P4 Re4 Te4 -","- C108 H80 N12 O3 P4 Re4 Te4 -","- C432 H320 N48 O12 P16 Re16 Te16 -","4","1","HB6116","Efremova, Olga A.; Mironov, Yuri V.; Kuratieva, Natalia V.; Fedorov, Vladimir E.","A new chalcocyanide cubane rhenium salt: tetrakis(tetraphenylphosphonium) dodecacyano-<i>hexahedro</i>-tetratelluriumtetrarhenate(IV) trihydrate","Acta Crystallographica Section E","2004","60","12","m1817","m1818","10.1107/S1600536804028454","","","0.71073","MoKα","","0.1489","0.0524","","","0.087","0.1031","","","","","","0.795","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204693","12.837","0.003","27.526","0.006","8.14","0.002","90","","90","","90","","2876.3","1.2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","Bis(pyridine-2-thione)dichlorocadmium(II)","Dichlorobis(pyridinium-2-thiolato)cadmium(II)","","- C10 H10 Cd Cl2 N2 S2 -","- C10 H10 Cd Cl2 N2 S2 -","- C80 H80 Cd8 Cl16 N16 S16 -","8","0.5","HB6120","Xiu-Jian Wang; Qing-Ling Ni; Xian-Shu Bi; Hong-Xia Jian","Dichlorobis(pyridinium-2-thiolato)cadmium(II)","Acta Crystallographica Section E","2004","60","12","m1859","m1860","10.1107/S1600536804029071","","","0.71073","MoKα","","0.0194","0.0183","","","0.0404","0.0407","","","","","","1.022","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204694","8.2685","0.0017","11.949","0.002","17.525","0.004","90","","103.64","0.03","90","","1682.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis(4-carboxy-1H-imidazole-5-carboxylato-κ^2^N,O)calcium(II) monohydrate","","- C10 H16 Ca N4 O13 -","- C10 H16 Ca N4 O13 -","- C40 H64 Ca4 N16 O52 -","4","0.5","HB6121","Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui","Tetraaquabis(4-carboxy-1<i>H</i>-imidazole-5-carboxylato-κ^2^<i>N,O</i>)calcium(II) monohydrate","Acta Crystallographica Section E","2004","60","12","m1790","m1792","10.1107/S1600536804028132","","","0.71073","MoKα","","0.041","0.035","","","0.094","0.097","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204695","10.266","0.002","26.359","0.005","13.462","0.003","90","","91.62","0.03","90","","3641.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(9-hydroxyfluorene-9-carboxylato-κ^2^O,O')tripyridinecadmium(II)","","- C43 H33 Cd N3 O6 -","- C43 H33 Cd N3 O6 -","- C172 H132 Cd4 N12 O24 -","4","1","HB6122","Gao, Shan; Huo, Li-Hua; Lu, Zhen-Zhong; Zhao, Hui","Bis(9-hydroxyfluorene-9-carboxylato-κ^2^<i>O,O</i>')tripyridinecadmium(II)","Acta Crystallographica Section E","2004","60","12","m1793","m1795","10.1107/S1600536804028181","","","0.71073","MoKα","","0.0414","0.0374","","","0.0997","0.1024","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204696","9.4084","0.0019","10.062","0.002","11.13","0.002","108.46","0.03","111.04","0.03","95.46","0.03","906.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Poly[[bis(1H-imidazole-κN^3^)cadmium(II)]-μ~3~-benzene-1,3-dioxyacetato]","poly[[bis(1H-imidazole-κN^3^)cadmium(II)]-μ~3~-m-phenylenebis(oxyacetato)]","","- C16 H16 Cd N4 O6 -","- C16 H16 Cd N4 O6 -","- C32 H32 Cd2 N8 O12 -","2","1","HB6123","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Poly[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium(II)]-μ~3~-benzene-1,3-dioxyacetato]","Acta Crystallographica Section E","2004","60","12","m1878","m1880","10.1107/S160053680402923X","","","0.71073","MoKα","","0.03","0.029","","","0.07","0.071","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204697","15.713","0.003","12.798","0.002","13.806","0.003","90","","109.468","0.009","90","","2617.6","0.9","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquapentakis(1H-imidazole-κN^3^)cobalt(II) dibromosuccinate","","- C19 H24 Br2 Co N10 O5 -","- C19 H24 Br2 Co N10 O5 -","- C76 H96 Br8 Co4 N40 O20 -","4","0.5","HB6124","Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu","Aquapentakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) dibromosuccinate","Acta Crystallographica Section E","2004","60","12","m1892","m1894","10.1107/S1600536804029381","","","0.71073","MoKα","","0.055","0.037","","","0.084","0.089","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204698","13.05","0.003","28.521","0.006","8.065","0.002","90","","90","","90","","3001.8","1.2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Dibromobis(pyridinium-2-thiolato-κS)cadmium(II)","","- C10 H10 Br2 Cd N2 S2 -","- C10 H10 Br2 Cd N2 S2 -","- C80 H80 Br16 Cd8 N16 S16 -","8","0.5","HB6128","Xiu-Jian Wang; Qing-Ling Ni; Zhong-Shu Shen","Dibromobis[pyridine-2(1<i>H</i>)-thione-κ<i>S</i>]cadmium(II)","Acta Crystallographica Section E","2004","60","12","m1918","m1919","10.1107/S1600536804029903","","","0.71073","MoKα","","0.0218","0.0199","","","0.046","0.0465","","","","","","0.993","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204699","11.53","0.002","17.118","0.002","15.285","0.002","90","","90","","90","","3016.8","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","t-Butyl diphenylphosphinate","","- C16 H19 O2 P -","- C16 H19 O2 P -","- C128 H152 O16 P8 -","8","1","HG6097","I. Darren Grice; Ian D. Jenkins; W. Ken Busfield; Karl A. Byriel; Colin H. L. Kennard","<i>tert</i>-Butyl diphenylphosphinate","Acta Crystallographica Section E","2004","60","12","o2384","o2385","10.1107/S1600536804029435","","","0.71073","MoKα","","0.2419","0.0393","","","0.0872","0.142","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204700","8.49","0.004","13.971","0.002","18.552","0.008","90","","90.15","0.02","90","","2200.5","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-1-(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxy) 2-dimethoxy-phosphinoyl-1-phenylethene","trans-1-(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxy) -2-dimethoxy-phosphinoyl-1-phenylethene","","- C22 H28 N O4 P -","- C22 H28 N O4 P -","- C88 H112 N4 O16 P4 -","4","1","HG6099","I. Darren Grice; Ian D. Jenkins; W. Ken Busfield; Karl A. Byriel; Colin H. L. Kennard","<i>trans</i>-2-(Dimethoxyphosphinoyl)-1-phenyl-1-(1,1,3,3-tetramethyl-2,3-dihydro-1<i>H</i>-isoindol-2-yloxy)ethene","Acta Crystallographica Section E","2004","60","12","o2386","o2387","10.1107/S1600536804029447","","","0.71073","Mokα","","0.0985","0.0569","","","0.1806","0.1997","","","","","","1.368","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204701","9.165","0.002","12.03","0.004","9.812","0.004","90","","98.69","0.03","90","","1069.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-(4-pyridyl)-4-phenyl-4H-1,2,4-triazole","3-(4-pyridyl)-4-phenyl-4H-1,2,4-triazole","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","HG6100","Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena","C—H···N contacts in 4-phenyl-3-(4-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","12","o2287","o2289","10.1107/S1600536804028417","","","1.54178","CuKα","","0.2608","0.0568","","","0.087","0.1257","","","","","","0.955","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204702","7.741","0.002","7.053","0.001","21.945","0.004","90","","96.99","0.03","90","","1189.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-(4-methylphenyl)-3-(4-pyridyl)-4H-1,2,4-triazole","4-(4-methylphenyl)-3-(4-pyridyl)-4H-1,2,4-triazole","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","HG6101","Mazur, Liliana; Koziol, Anna E.; Modzelewska-Banachiewicz, Bozena","4-(4-Methylphenyl)-3-(4-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","12","o2244","o2246","10.1107/S160053680402776X","","","1.54178","CuKα","","0.1617","0.0561","","","0.1274","0.1698","","","","","","0.991","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204703","10.262","0.009","10.767","0.01","13.437","0.012","81.79","0.014","82.515","0.013","84.724","0.014","1453","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","catena-poly[[[μ-di-4-pyridyldiazene-κ^2^N^4^:N^4'^-bis[(triphenylphosphine- κP)copper(I)]]-μ-pyridine-2-carbaldehyde azine-κN^2^,N:N',N^2'^] bis(tetrafluoroborate)]","","- C58 H48 B2 Cu2 F8 N8 P2 -","- C58 H48 B2 Cu2 F8 N8 P2 -","- C58 H48 B2 Cu2 F8 N8 P2 -","1","0.5","HG6102","Ming-Ming, Yu; Wen-Fu, Fu; Zhan-Xian, Li; Zu-Fu, Yao; Lin-Fang, Jia","<i>catena</i>-Poly[[[μ-di-4-pyridyldiazene-κ^2^<i>N</i>^4^:<i>N</i>^4'^-bis[(triphenylphosphine-κ<i>P</i>)copper(I)]]-μ-pyridine-2-carbaldehyde azine-κ<i>N</i>^2^,<i>N</i>:<i>N</i>',<i>N</i>^2'^] bis(tetrafluoroborate)]","Acta Crystallographica Section E","2004","60","12","m1897","m1899","10.1107/S1600536804029253","","","0.71073","MoKα","","0.0986","0.0669","","","0.1855","0.2102","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204704","10.979","0.005","11.48","0.005","11.694","0.006","90","","103.508","0.008","90","","1433.1","1.2","273","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(2-pyridylsulfanyl)butane","","- C14 H16 N2 S2 -","- C14 H16 N2 S2 -","- C56 H64 N8 S8 -","4","1","HG6103","Xie, Ya-Bo; Li, Jian-Rong","1,4-Bis(2-pyridylsulfanyl)butane","Acta Crystallographica Section E","2004","60","12","o2311","o2312","10.1107/S1600536804027230","","","0.71073","MoKα","","0.146","0.0486","","","0.0634","0.0804","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204705","15.4067","0.0015","13.3329","0.0013","7.7173","0.0007","90","","103.117","0.002","90","","1543.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(2,4-Difluorophenyl)-3-(2-methylphenyl)-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine","","- C17 H12 F2 N4 S -","- C17 H12 F2 N4 S -","- C68 H48 F8 N16 S4 -","4","1","HG6104","Guang-Qi Xiang; Li-Xue Zhang; An-Jiang Zhang; Xiao-Qing Cai; Mao-Lin Hu","6-(2,4-Difluorophenyl)-3-(3-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2004","60","12","o2249","o2251","10.1107/S1600536804027771","","","0.71073","MoKα","","0.0958","0.0795","","","0.1801","0.1949","","","","","","1.286","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204706","7.3373","0.0004","9.5498","0.0005","23.9163","0.0012","90","","97.498","0.001","90","","1661.48","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(η^6^-fluorene)(η^5^-cyclopentadienyl) iron hexafluorophosphate","(η^5^-Cyclopentadienyl)(η^6^-9H-fluorene)iron hexafluorophosphate","","- C18 H15 F6 Fe P -","- C18 H15 F6 Fe P -","- C72 H60 F24 Fe4 P4 -","4","1","HG6105","Andreas Decken","(η^5^-Cyclopentadienyl)(η^6^-9<i>H</i>-fluorene)iron(II) hexafluorophosphate","Acta Crystallographica Section E","2004","60","12","m1796","m1797","10.1107/S1600536804028077","","","0.71073","MoKα","","0.0546","0.0346","","","0.0878","0.0922","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204707","7.646","0.003","8.325","0.003","12.803","0.005","73.321","0.006","79.042","0.007","68.23","0.006","721.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-(2,6-Dihydroxyphenyl)ethanone","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","2","HG6106","Hua-Rong Huang; Xue-Kui Xia; Zhi-Gang She; Yong-Cheng Lin; L. L. P. Vrijmoed; E. B. Gareth Jones","1-(2,6-Dihydroxyphenyl)ethanone","Acta Crystallographica Section E","2004","60","12","o2509","o2510","10.1107/S1600536804030600","","","0.71073","MoKα","","0.0693","0.0413","","","0.1053","0.1217","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204708","8.0662","0.0002","11.0937","0.0002","12.7589","0.0003","101.626","0.0009","90.1675","0.001","103.4","0.0011","1086.37","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","Di-μ-chloro-bis[(N-tert-butylimido)chlorobis(pyridine-κN)titanium(IV)] benzene disolvate","","- C40 H38 Cl4 D12 N6 Ti2 -","- C40 H50 Cl4 N6 Ti2 -","- C40 H50 Cl4 N6 Ti2 -","1","0.5","HG6108","Nilay Hazari; Andrew R. Cowley; Philip Mountford","Di-μ-chloro-bis[(<i>N</i>-<i>tert</i>-butylimido)chlorobis(pyridine-κ<i>N</i>)titanium(IV)] perdeuterobenzene disolvate","Acta Crystallographica Section E","2004","60","12","m1844","m1846","10.1107/S160053680402865X","","","0.71073","MoKα","","0.0418","0.0301","","0.0455","0.0365","0.0365","","","","","","1.0289","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204709","7.8474","0.0012","8.466","0.0014","14.033","0.003","90","","90","","90","","932.3","0.3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","HG6109","Baumer, Vyacheslav N.; Shishkin, Oleg V.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Samer A. El Kayal","1-Ethyl-4-hydroxyquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","12","o2356","o2358","10.1107/S1600536804029241","","","0.71073","MoKα","","","0.036","","","","0.103","","","","","","0.97","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204710","7.0789","0.0006","8.465","0.0006","21.4774","0.0013","90","","96.492","0.005","90","","1278.74","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-Furyl)-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C52 H44 N12 O8 S4 -","4","1","HG6110","Sema Öztürk Yıldırım; Mehmet Akkurt; Metin Koparır; Ahmet Cansız; Memet Şekerci; Frank W. Heinemann","3-(2-Furyl)-4-(4-methoxyphenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","12","o2368","o2370","10.1107/S1600536804029423","","","0.71069","MoKα","","0.0505","0.0355","","","0.079","0.084","","","","","","1.024","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204711","4.629","0.0001","5.703","0.0001","21.711","0.0006","87.494","0.001","85.631","0.001","78.312","0.002","559.4","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[2-(6-bromohexyl)-2H-tetrazol-5-yl]benzene","","- C20 H28 Br2 N8 -","- C20 H28 Br2 N8 -","- C20 H28 Br2 N8 -","1","0.5","HG6111","Fleming, Adrienne F. M.; Fintan Kelleher; Mahon, Mary F.; McGinley, John; Molloy, Kieran C.; Prajapati, Vipa","1,4-Bis[2-(6-bromohexyl)-2<i>H</i>-tetrazol-5-yl]benzene","Acta Crystallographica Section E","2004","60","12","o2388","o2389","10.1107/S1600536804029770","","","0.71073","MoKα","","0.0583","0.0478","","","0.1222","0.1307","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204712","17.336","0.002","16.587","0.0019","21.125","0.003","90","","91.127","0.01","90","","6073.4","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[cis-Re(CO)~2~(PPh~3~)(dpkO,OH)].0.5dmso","cis-Tris(carbonyl-κC)(triphenylphosphine-κP)[hydroxytris(2-pyridyl) methanolato-κ^3^N,O,N']rhenium(I)] dimethyl sulfoxide hemisolvate","","- C32 H27 N2 O4.5 P Re S0.5 -","- C32 H27 N2 O4.5 P Re S0.5 -","- C256 H216 N16 O36 P8 Re8 S4 -","8","2","HG6115","Bakir, Mohammed; Hassan, Ishmael","<i>cis</i>-Dicarbonyl(hydroxydi-2-pyridylmethanolato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')(triphenylphosphine-κ<i>P</i>)rhenium(I) dimethyl sulfoxide hemisolvate","Acta Crystallographica Section E","2004","60","12","m1966","m1969","10.1107/S160053680403034X","","","0.71073","MoKα","","0.047","0.0337","","","0.0745","0.0797","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204713","8.9885","0.0015","5.7445","0.0012","15.471","0.003","90","","98.749","0.015","90","","789.5","0.3","302","","302","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N4 O4 -","- C14 H14 Cl2 N4 O4 -","- C28 H28 Cl4 N8 O8 -","2","0.5","HG6117","Hiroyuki Ishida","Bis(3-methylpyrazolium) chloranilate","Acta Crystallographica Section E","2004","60","12","o2506","o2508","10.1107/S1600536804030648","","","0.71073","MoKα","","0.101","0.043","","","0.089","0.103","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204714","8.8828","0.0017","10.271","0.002","14.408","0.003","90","","104.306","0.017","90","","1273.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","(cis-syn-cis-Dicyclohexano-18-crown-6)potassium chlorochromate","cis-syn-cis- icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin)potassium chlorochromate","","- C20 H36 Cl Cr K O9 -","- C20 H36 Cl Cr K O9 -","- C40 H72 Cl2 Cr2 K2 O18 -","2","1","IS6008","Kotlyar, Sergey A.; Zubatyuk, Roman I.; Zhigalko, Marina V.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.","(<i>cis</i>-<i>syn</i>-<i>cis</i>-Dicyclohexano-18-crown-6)potassium chlorochromate","Acta Crystallographica Section E","2004","60","12","m1847","m1848","10.1107/S1600536804028090","","","0.71073","MoKα","","0.0714","0.0376","","","0.0852","0.0906","","","","","","0.928","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204715","6.215","0.007","7.491","0.007","14.461","0.015","90","","98.68","0.08","90","","665.5","1.2","95","2","95","2","","","","","","","","3","P 1 21 1","P 2yb","4","Hyperolactone C","(5S,9S)-9-methyl-2-phenyl-9-vinyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","IS6009","Sara L. Crockett; Wolfgang Schühly; Ferdinand Belaj; Ikhlas A. Khan","Hyperolactone C","Acta Crystallographica Section E","2004","60","12","o2174","o2176","10.1107/S1600536804026819","","","0.71069","MoKα","","0.0992","0.0677","","","0.1363","0.1535","","","","","","1.08","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204716","6.359","0.002","21.158","0.005","15.374","0.005","90","","95.43","0.02","90","","2059.2","1.1","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-butoxycarbonyl-L-allo-isoleucyl-N-α-methyl-L-valine","","- C17 H32 N2 O5 -","- C17 H32 N2 O5 -","- C68 H128 N8 O20 -","4","2","IS6011","Oku, Hiroyuki; Naito, Ryo; Yamada, Keiichi; Katakai, Ryoichi","A synthetic fragment of a cyclic depsipeptide, aureobasidine A: <i>tert</i>-butoxycarbonyl-<small>L</small>-<i>allo</i>-isoleucyl-<i>N</i>-methyl-<small>L</small>-valine (Boc-<small>L</small>-<i>allo</i>-Ile-<small>L</small>-MeVal-OH)","Acta Crystallographica Section E","2004","60","12","o2261","o2263","10.1107/S1600536804028089","","","1.5418","CuKα","","","0.058","","","","0.116","","","","","","1.017","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204717","10.1833","0.0009","21.535","0.0016","11.5029","0.0011","90","","107.725","0.007","90","","2402.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4,5-Tetrakis(2-tert-butyl-4-methylphenoxymethyl)benzene","","- C54 H70 O4 -","- C54 H70 O4 -","- C108 H140 O8 -","2","0.5","IS6012","Burcu Arslan; Canan Kazak; Nesuhi Akdemir; Cihan Kantar; Erbil Aǧar","1,2,4,5-Tetrakis(2-<i>tert</i>-butyl-4-methylphenoxymethyl)benzene","Acta Crystallographica Section E","2004","60","12","o2378","o2379","10.1107/S1600536804029617","","","0.71073","MoKα","","0.1357","0.0721","","","0.1382","0.161","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204718","9.833","0.008","18.994","0.017","6.713","0.008","90","","90","","90","","1254","2","173.1","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(2R)-2-N-(tert-Butoxycarbonyl)-Amino-3-Methyl-1,3-Butanediol","","- C10 H21 N O4 -","- C10 H21 N O4 -","- C40 H84 N4 O16 -","4","1","IS6014","Oku, Hiroyuki; Naito, Ryo; Yamada, Keiichi; Katakai, Ryoichi","A synthetic intermediate of enantiopure <i>N</i>-protected β-hydroxyvaline, (2<i>R</i>)-2-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)amino]-3-methylbutane-1,3-diol","Acta Crystallographica Section E","2004","60","12","o2462","o2464","10.1107/S1600536804030363","","","1.5418","CuKα","","","0.085","","","","0.244","","","","","","1.067","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2204719","10.36","0.002","9.6427","0.0019","14.352","0.003","90","","91.36","0.03","90","","1433.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ- 4-carboxyimidazole-5-carboxylato(2-)-κ^4^N,O:N,O']","","- C17 H10 Cu N4 O4 -","- C17 H10 Cu N4 O4 -","- C68 H40 Cu4 N16 O16 -","4","1","IS6015","Gu, Chang-Sheng; Gao, Shan; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N,N</i>')copper(II)]-μ-4-carboxyimidazole-5-carboxylato(2‒)-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>']","Acta Crystallographica Section E","2004","60","12","m1852","m1854","10.1107/S1600536804029149","","","0.71073","MoKα","","0.1115","0.055","","","0.1038","0.1235","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204720","7.842","0.002","11.324","0.003","14.84","0.004","90","","90","","90","","1317.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-4-(2,5-dichlorophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-thiazole","","- C11 H7 Cl2 N5 S -","- C11 H7 Cl2 N5 S -","- C44 H28 Cl8 N20 S4 -","4","1","IS6016","Shao, ling; Jin, Zhong; Liu, Jian-Bing; Zhou, Xin; Zhang, Qing; Hu, Yan; Fang, Jian-Xin","2-Amino-4-(2,5-dichlorophenyl)-5-(1<i>H</i>-1,2,4-triazol-1-yl)-1,3-thiazole","Acta Crystallographica Section E","2004","60","12","o2517","o2519","10.1107/S160053680403079X","","","0.71073","MoKα","","0.0335","0.0264","","","0.0587","0.0625","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204721","10.0472","0.0004","11.309","0.0005","14.9321","0.0005","90","","90","","90","","1696.64","0.12","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-Poly[[[diaquacobalt(II)]-μ-tartarato-κ^4^O,O':O'',O'''] monohydrate]","","- C4 H10 Co O9 -","- C4 H10 Co O9 -","- C32 H80 Co8 O72 -","8","1","IS6017","Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu","<i>catena</i>-Poly[[[diaquacobalt(II)]-μ-tartrato-κ^4^<i>O,O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]","Acta Crystallographica Section E","2004","60","12","m1982","m1984","10.1107/S1600536804030806","","","0.71073","MoKα","","0.035","0.03","","","0.072","0.074","","","","","","1.138","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204722","9.4614","0.0008","10.0012","0.0009","8.4042","0.0007","90","","93.028","0.002","90","","794.14","0.12","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[chloro(4-amino-1,2,4-triazole-5-thione)]copper(II) dihydrate","","- C6 H16 Cl2 Cu N8 O2 S2 -","- C6 H16 Cl2 Cu N8 O2 S2 -","- C12 H32 Cl4 Cu2 N16 O4 S4 -","2","0.5","IS6019","Xiao-Qing Cai; Li-Xue Zhang; Guang-qi Xiang; An-Jiang Zhang; Mao-Lin Hu","Bis[4-amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione]dichlorocopper(II) dihydrate","Acta Crystallographica Section E","2004","60","12","m1980","m1981","10.1107/S1600536804030818","","","0.71073","MoKα","","0.0265","0.0252","","","0.0657","0.0665","","","","","","1.115","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204723","14.606","0.002","5.8056","0.0006","27.037","0.004","90","","99.032","0.011","90","","2264.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile","","- C15 H10 F N O -","- C15 H10 F N O -","- C120 H80 F8 N8 O8 -","8","2","KP6010","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Nagaraja, Padmarajaiah; Bolte, Michael","1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile","Acta Crystallographica Section E","2004","60","12","o2225","o2227","10.1107/S1600536804027485","","","0.71073","MoKα","","0.0622","0.0391","","","0.0888","0.0969","","","","","","0.879","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204724","12.3571","0.0001","12.3571","0.0001","38.6211","0.0006","90","","90","","90","","5897.36","0.11","180","2","180","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Bis(2,2':6',2''-terpyridyl-κ^3^N)manganese(II) bis(nitrate) dihydrate","","- C30 H26 Mn N8 O8 -","- C30 H26 Mn N8 O8 -","- C240 H208 Mn8 N64 O64 -","8","0.5","KP6011","Rompel, Annette; Bond, Andrew D.; McKenzie, Christine J.","Bis(2,2':6',2''-terpyridyl-κ^3^<i>N</i>)manganese(II) dinitrate dihydrate","Acta Crystallographica Section E","2004","60","12","m1759","m1760","10.1107/S1600536804027643","","","0.71073","MoKα","","0.0703","0.0495","","","0.1398","0.1528","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204725","16.1111","0.0006","13.7316","0.0005","20.1356","0.001","90","","111.277","0.001","90","","4151","0.3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-oxo-bis(μ-2-furancarboxylato)bis(N-methyl-N,N-bis(2-pyridylmethyl)amine) diiron(III) bis(perchlorate) methanol solvate","","- C37 H40 Cl2 Fe2 N6 O16 -","- C37 H40 Cl2 Fe2 N6 O16 -","- C148 H160 Cl8 Fe8 N24 O64 -","4","0.5","KP6012","Nielsen, Anne.; Bond, Andrew D.; McKenzie, Christine J.","μ-Oxo-bis(μ-2-furancarboxylato)bis{[<i>N</i>-methyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)amine]iron(III)} bis(perchlorate) methanol solvate","Acta Crystallographica Section E","2004","60","12","m1959","m1960","10.1107/S1600536804030375","","","0.71073","MoKα","","0.07","0.0434","","","0.1072","0.12","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204726","18.627","0.0003","7.316","0.0001","21.234","0.0005","90","","93.184","0.0007","90","","2889.2","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,5-Trichloro-1λ^6^,2,4,6-thiatriazin-1-one","","- C2 Cl3 N3 O S -","- C2 Cl3 N3 O S -","- C32 Cl48 N48 O16 S16 -","16","4","KP6013","Clark, Timothy J.; Lough, Alan J.; Chivers, Tristram; Manners, Ian","1,3,5-Trichloro-1λ^6^,2,4,6-thiatriazin-1-one","Acta Crystallographica Section E","2004","60","12","o2402","o2403","10.1107/S160053680402971X","","","0.71073","MoKα","","0.0504","0.0324","","","0.0684","0.0749","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204727","17.877","0.0007","7.4072","0.0003","16.4214","0.0006","90","","94.187","0.004","90","","2168.69","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Benzylamino-2-(2-hydroxyethylamino)-9-methylpurin-1,7-ium diperchlorate monohydrate","","- C15 H22 Cl2 N6 O10 -","- C15 H22 Cl2 N6 O10 -","- C60 H88 Cl8 N24 O40 -","4","1","KP6016","Trávníček, Zdeněk; Kryštof, Vladimír","6-Benzylamino-2-(2-hydroxyethylamino)-9-methylpurine-1,7-diium bis(perchlorate) monohydrate","Acta Crystallographica Section E","2004","60","12","o2324","o2327","10.1107/S160053680402896X","","","0.71073","MoKα","","0.0476","0.0456","","","0.1181","0.12","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204728","15.291","0.004","18.973","0.004","9.831","0.002","90","","97.92","0.018","90","","2824.9","1.1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,3-diphenyl-1,3-propanedionato-κ^2^O,O')oxo(pyridine-κN)vanadium(IV)","","- C35 H27 N O5 V -","- C35 H27 N O5 V -","- C140 H108 N4 O20 V4 -","4","1","KP6017","Meštrović, Ernest; Bučar, Dejan-Krešimir; Halasz, Ivan; Stilinović, Vladimir","The first adduct of bis(1,3-diphenyl-1,3-propanedionato)oxovanadium(IV)","Acta Crystallographica Section E","2004","60","12","m1920","m1922","10.1107/S1600536804029915","","","0.71073","MoKα","","0.0646","0.0379","","","0.0726","0.0805","","","","","","0.943","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204729","13.031","0.001","11.0503","0.0009","17.358","0.001","90","","104.654","0.001","90","","2418.2","0.3","120","0.2","120","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","asc9o","ascidiacyclamide analogue No.9 cyclo(Ile-D-aThr(3R)-D-Val-Thz-Ile-D-Oxz(3S)-D-Val-Thz) isoleucyl-D-","","- C42 H68 N10 O9 S2 -","- C42 H68 N10 O9 S2 -","- C84 H136 N20 O18 S4 -","2","1","KP6018","Akiko Asano; Mitsunobu Doi","Turn-over of an oxazoline ring induced by chiral change of a folded ascidiacyclamide analogue: cyclo(Ile-<small>D</small>‒aThr‒<small>D</small>-Val‒Thz‒Ile‒<small>D</small>-Oxz‒<small>D</small>-Val‒Thz) <i>N,N</i>-dimethylformamide disolvate","Acta Crystallographica Section E","2004","60","12","o2449","o2451","10.1107/S1600536804030247","","","0.71073","MoKα","","0.063","0.0522","","","0.1386","0.1479","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204730","16.324","0.002","9.478","0.001","11.062","0.002","90","","103.69","0.01","90","","1662.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl [(Z)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidenemethyl)- 1-methyl-3-oxo-but-1-enylamino]acetate","","- C16 H21 N O7 -","- C16 H21 N O7 -","- C64 H84 N4 O28 -","4","1","KP6019","Vencato, Ivo; Cunha, Silvio; Ferrari, Jailton; Napolitano, Hamilton B.; Lariucci, Carlito","The polyfunctionalized enaminone ethyl [(<i>Z</i>)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidenemethyl)-1-methyl-3-oxo-but-1-enylamino]acetate","Acta Crystallographica Section E","2004","60","12","o2479","o2481","10.1107/S1600536804030211","","","1.5418","CuKα","","0.0759","0.0561","","","0.1475","0.1625","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204731","7.905","0.002","9.441","0.002","10.974","0.003","76.37","0.02","101.29","0.03","105.96","0.03","757.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H24 N4 O8 P2 -","- C6 H24 N4 O8 P2 -","- C12 H48 N8 O16 P4 -","2","1","LH6292","Amel Dakhlaoui; Leila Samia Smiri; Ahmed Driss","A new amine phosphate templated by tris(2-aminoethyl)amine","Acta Crystallographica Section E","2004","60","12","o2241","o2243","10.1107/S1600536804027540","","","0.71073","MoKα","","0.0445","0.0351","","","0.0973","0.1033","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204732","6.963","0.0014","7.2888","0.0015","8.0319","0.0016","80.3","0.03","77.48","0.03","70.66","0.03","373.41","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyridazinic dicarboxylic acid","pyridazine-3,6-dicarboxylic acid monohydrate","","- C6 H6 N2 O5 -","- C6 H6 N2 O5 -","- C12 H12 N4 O10 -","2","1","LH6293","Starosta Wojciech; Leciejewicz Janusz","Pyridazine-3,6-dicarboxylic acid monohydrate","Acta Crystallographica Section E","2004","60","12","o2219","o2220","10.1107/S1600536804027527","","","0.71073","MoKα","","0.0525","0.0461","","","0.1264","0.1314","","","","","","1.051","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204733","6.706","0.003","6.706","0.003","21.834","0.016","90","","90","","90","","981.9","1","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","catena-Poly[[aquanitritosilver(I)]μ-1,4-diazabicyclo[2,2,2]octane-κ^2^N:N']","","- C6 H14 Ag N3 O3 -","- C6 H14 Ag N3 O3 -","- C24 H56 Ag4 N12 O12 -","4","1","LH6294","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>catena</i>-Poly[[aquanitritosilver(I)]-μ-1,4-diazabicyclo[2,2,2]octane-κ^2^<i>N:N</i>']","Acta Crystallographica Section E","2004","60","12","m1744","m1746","10.1107/S1600536804026650","","","0.71073","MoKα","","0.0409","0.0404","","","0.0953","0.0957","","","","","","1.285","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204734","27.387","0.002","5.504","0.003","17.879","0.002","90","","103.63","0.002","90","","2619.1","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(μ-4-chlorobenzoato-κ^2^O:O')bis[(2-aminopyridine-κN)silver(I)](Ag—Ag) monohydrate","","- C24 H22 Ag2 Cl2 N4 O5 -","- C24 H22 Ag2 Cl2 N4 O5 -","- C96 H88 Ag8 Cl8 N16 O20 -","4","0.5","LH6295","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","Bis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(2-aminopyridine-κ<i>N</i>)silver(I)](<i>Ag{—</i>Ag}) monohydrate","Acta Crystallographica Section E","2004","60","12","m1863","m1865","10.1107/S1600536804029101","","","0.71073","MoKα","","0.0588","0.053","","","0.1158","0.1191","","","","","","1.232","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204735","9.193","0.009","16.726","0.017","12.729","0.013","90","","95.314","0.018","90","","1949","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-μ-acetato-1:2κ^2^O:O';2:3κ^2^O:O'-bis{2,2'-[1,4- butanediylbis(nitrilomethylidyne)]diphenolato}- 1:2κ^6^O,N,N,O':O,O';2,3κ^6^O,O':O,N,N,O'-tricobalt(II)","","- C40 H42 Co3 N4 O8 -","- C40 H42 Co3 N4 O8 -","- C80 H84 Co6 N8 O16 -","2","0.5","LH6297","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","A linear trinuclear Co^II^‒Co^II^‒Co^II^ complex with μ-acetate bridges: di-μ-acetato-bis[μ-<i>N,N</i>'-bis(salicylidene)-1,4-butanediaminato]tricobalt(II)","Acta Crystallographica Section E","2004","60","12","m1900","m1902","10.1107/S1600536804029605","","","0.71073","MoKα","","0.1097","0.0695","","","0.1516","0.171","","","","","","0.909","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204736","5.922","0.0008","24.946","0.003","11.1751","0.0014","90","","97.761","0.002","90","","1635.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ-Biphenyl-4,4'-dicarboxylato)bis[(2-aminopyridine)silver(I)]","","- C34 H32 Ag2 N8 O4 -","- C34 H32 Ag2 N8 O4 -","- C68 H64 Ag4 N16 O8 -","2","0.5","LH6298","Liu, Zhao-Di; Zhu, Hai-Liang","(μ-Biphenyl-4,4'-dicarboxylato)bis[(2-aminopyridine)silver(I)]","Acta Crystallographica Section E","2004","60","12","m1866","m1868","10.1107/S1600536804028624","","","0.71073","MoKα","","0.0587","0.0464","","","0.1204","0.1286","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204737","18.8439","0.0013","16.3922","0.0009","10.8561","0.0007","90","","90","","90","","3353.4","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N,N-Tris(3-methylphenyl)amine","","- C21 H21 N -","- C21 H21 N -","- C168 H168 N8 -","8","1","LH6300","Manifar, Touraj; Rohani, Sohrab; Jennings, Michael, C.","<i>N,N,N</i>-Tris(3-methylphenyl)amine","Acta Crystallographica Section E","2004","60","12","o2301","o2303","10.1107/S1600536804028247","","","0.71073","MoKα","","0.1799","0.0655","","","0.162","0.2203","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204738","11.1715","0.0007","24.1173","0.001","23.0286","0.0009","90","","95.19","0.004","90","","6179.1","0.5","297","1","297","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","rac-bis[2,2'-bis(1-ethyl-1H-benzimidazol-2-yl)biphenyl]copper(I) trifluoromethanesulfonate toluene solvate dihydrate","","- C68 H64 Cu F3 N8 O5 S -","- C68 H62 Cu F3 N8 O4 S -","- C272 H248 Cu4 F12 N32 O16 S4 -","4","1","LH6301","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","The sterically crowded four-coordinate copper(I) complex <i>rac</i>-bis[2,2'-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)biphenyl]copper(I) trifluoromethanesulfonate toluene solvate dihydrate","Acta Crystallographica Section E","2004","60","12","m1836","m1840","10.1107/S1600536804028259","","","0.71073","MoKα","","0.0849","0.0591","","","0.1568","0.1713","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204739","8.7755","0.0002","7.6452","0.0002","12.2232","0.0003","90","","106.966","0.0011","90","","784.37","0.03","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Azido-3-deoxy-2,2':5,6-di-O-isopropylidene-2-C-hydroxmethyl-D- gulono-1,4-lactone","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C26 H38 N6 O12 -","2","1","LH6302","Christopher C. Harding; Howard Shallard-Brown; David J. Watkin; Raquel Soengas; George W. J. Fleet","3-Azido-3-deoxy-2,2':5,6-di-<i>O</i>-isopropylidene-2-<i>C</i>-hydroxmethyl-<small>D</small>-gulono-1,4-lactone","Acta Crystallographica Section E","2004","60","12","o2334","o2336","10.1107/S1600536804029113","","","0.71073","MoKα","","0.0518","0.0448","","0.1085","0.1051","0.1085","","","","","","0.9324","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204740","11.2238","0.0003","14.7826","0.0005","19.9333","0.0007","99.08","0.0012","99.966","0.002","101.187","0.002","3132.16","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis(tetraphenylarsonium) tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV) acetone solvate","","- C60 H46 As2 O S15 Sn -","- C60 H46 As2 O S15 Sn -","- C120 H92 As4 O2 S30 Sn2 -","2","1","LH6303","Comerlato, Nadia M.; Ferreira, Glaucio B.; Howie, R. Alan; Wardell, James L.","Bis(tetraphenylarsonium) tris(2-thioxo-1,3-dithiole-4,5-dithiolato)stannate(IV) acetone solvate at 120K","Acta Crystallographica Section E","2004","60","12","m1781","m1783","10.1107/S1600536804027424","","","0.71073","MoKα","","0.1074","0.0453","","","0.0668","0.0793","","","","","","0.927","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204741","9.868","0.001","9.868","0.001","12.801","0.002","90","","90","","90","","1246.6","0.3","213","2","213","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","TERPYRIDINE TRIOXIDE","2,2':6',2''-Terpyridine N,N',N''-trioxide","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","0.5","LH6304","McKay, Scott E.; Wheeler, Kraig A.; Blackstock, Silas C.","2,2':6',2''-Terpyridine N,N',N''-trioxide","Acta Crystallographica, Section E","2004","60","12","2258","2260","10.1107/S160053680402793X","","","0.71073","MoKα","","0.0359","0.0326","","","0.0805","0.0822","","","","","","1.07","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204742","20.886","0.004","10.959","0.002","11.263","0.002","90","","115.09","0.03","90","","2334.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(4-hydroxyphenyl) disulfide","4,4'-Dithiodiphenol","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C96 H80 O16 S16 -","8","1","LH6305","Qing-ling Ni; Xiu-Jian Wang; Jian-Qiang Zeng; Hong-Xia Jian","4,4'-Dithiodiphenol: a chain of rings generated by two pairs of O—H···O hydrogen bonds","Acta Crystallographica Section E","2004","60","12","o2318","o2320","10.1107/S1600536804028636","","","0.71073","MoKα","","0.0409","0.0329","","","0.0885","0.0939","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204743","35.646","0.0006","5.2036","0.0001","19.1402","0.0003","90","","116.094","0.0008","90","","3188.39","0.1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,5-Bis(benzoylsulfanyl)-1,3-dithiol-2-one","","- C17 H10 O3 S4 -","- C17 H10 O3 S4 -","- C136 H80 O24 S32 -","8","1","LH6308","Nadia M. Comerlato; Gláucio B. Ferreira; Janet M. S. Skakle; James L. Wardell","4,5-Bis(benzoylsulfanyl)-1,3-dithiol-2-one","Acta Crystallographica Section E","2004","60","12","o2284","o2286","10.1107/S1600536804028387","","","0.71073","MoKα","","0.0314","0.0251","","","0.0618","0.0652","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204744","9.997","0.002","16.422","0.003","10.857","0.002","90","","98.2","0.03","90","","1764.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-3-carboxylatophenoxyacetato)bis[(1H-imidazole)copper(II)] dihydrate","","- C30 H32 Cu2 N8 O12 -","- C30 H32 Cu2 N8 O12 -","- C60 H64 Cu4 N16 O24 -","2","0.5","LH6310","Gao, Shan; Gu, Chang-Sheng; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Jing-Gui","Bis(μ-3-carboxylatophenoxyacetato)bis[(1<i>H</i>-imidazole)copper(II)] dihydrate","Acta Crystallographica Section E","2004","60","12","m1933","m1935","10.1107/S1600536804029976","","","0.71073","MoKα","","0.0477","0.0382","","","0.0949","0.0994","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204745","11.8742","0.0004","10.0738","0.0003","13.355","0.0004","90","","96.375","0.001","90","","1587.62","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3'-Isopropyl-8',8'-dimethyl-2-benzofuran-1-spiro-7'-bicyclo[4.2.0]octa- 1'(6'),2',4'-trien-3-one","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","LH6311","Singh, Pradeep N. D.; Pika, Jana; Krause Bauer, Jeanette A.; Gudmundsdóttir, Anna D.","3'-Isopropyl-8',8'-dimethyl-2-benzofuran-1-spiro-7'-bicyclo[4.2.0]octa-1'(6'),2',4'-trien-3-one","Acta Crystallographica Section E","2004","60","12","o2390","o2392","10.1107/S160053680402940X","","","0.71073","MoKα","","0.0732","0.0597","","","0.1248","0.1299","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204746","5.192","0.0003","10.685","0.0006","13.5535","0.0008","90","","90","","90","","751.9","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cis-bis(glycinato)copper(II)monohydrate","cis-aquabis(glycinatoκ^2^N,O)copper(II)","","- C4 H10 Cu N2 O5 -","- C4 H10 Cu N2 O5 -","- C16 H40 Cu4 N8 O20 -","4","1","LH6313","Casari, Barbara M.; Mahmoudkhani, Amir H.; Langer, Vratislav","A redetermination of <i>cis</i>-aquabis(glycinato-κ^2^<i>N,O</i>)copper(II)","Acta Crystallographica Section E","2004","60","12","m1949","m1951","10.1107/S1600536804030041","","","0.71073","MoKα","","0.077","0.046","","","0.085","0.097","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204747","8.776","0.003","11.78","0.005","10.645","0.004","90","","90","","90","","1100.5","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Acetamiprid","(E)-N^1^-[(6-Chloropyridin-3-yl)methyl]-N^2^-cyano-N^1^-methylacetamidine","","- C10 H11 Cl N4 -","- C10 H11 Cl N4 -","- C40 H44 Cl4 N16 -","4","1","LH6316","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","(<i>E</i>)-<i>N</i>^1^-[(6-Chloropyridin-3-yl)methyl]-<i>N</i>^2^-cyano-<i>N</i>^1^-methylacetamidine","Acta Crystallographica Section E","2004","60","12","o2374","o2375","10.1107/S1600536804029411","","","0.71073","MoKα","","0.0606","0.0484","","","0.108","0.1139","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204748","11.0671","0.001","14.0481","0.001","14.8625","0.0012","90","","90","","90","","2310.7","0.3","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","Aqua(pyridine N-oxide-κO)[tris(2-hydroxyaminopropyl)amine-κ^4^N]nickel(II) dinitrate","","- C14 H25 N7 Ni O11 -","- C14 H25 N7 Ni O11 -","- C56 H100 N28 Ni4 O44 -","4","0.5","LH6317","Edison, Sara E.; Krause Bauer, Jeanette A.; Baldwin, Michael J.","Aqua(pyridine <i>N</i>-oxide-κ<i>O</i>)[tris(2-hydroxyaminopropyl)amine-κ^4^<i>N</i>]nickel(II) dinitrate","Acta Crystallographica Section E","2004","60","12","m1930","m1932","10.1107/S160053680403003X","","","0.71073","MoKα","","0.0322","0.0299","","","0.0702","0.0712","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204749","3.9015","0.0006","12.324","0.002","13.503","0.002","90","","90.57","0.01","90","","649.22","0.17","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyridine hydrogen nitrate","pyridinium nitrate","","- C5 H6 N2 O3 -","- C5 H6 N2 O3 -","- C20 H24 N8 O12 -","4","1","LH6318","Batsanov, Andrei S.","Pyridinium nitrate at 290K","Acta Crystallographica Section E","2004","60","12","o2424","o2425","10.1107/S1600536804030168","","","0.71073","MoKα","","0.0803","0.0496","","","0.1408","0.1574","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204750","3.7756","0.0009","12.336","0.003","13.353","0.003","90","","88.6","0.01","90","","621.7","0.3","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyridine hydrogen nitrate","pyridinium nitrate","","- C5 H6 N2 O3 -","- C5 H6 N2 O3 -","- C20 H24 N8 O12 -","4","1","LH6319","Batsanov, Andrei S.","Pyridinium nitrate at 120K","Acta Crystallographica Section E","2004","60","12","o2426","o2428","10.1107/S160053680403017X","","","0.71073","MoKα","","0.079","0.0494","","","0.1119","0.128","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204751","7.1985","0.0005","16.372","0.0014","17.244","0.002","90","","90","","90","","2032.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[1-methylimidazole-2(3H)-thione-2κS]dioxo-1κ^2^O-di-μ-sulfido-1:2κ^4^S:S- copper(I)tungstate(VI)","","- C12 H26 Cu N3 O2 S3 W -","- C12 H26 Cu N3 O2 S3 W -","- C48 H104 Cu4 N12 O8 S12 W4 -","4","1","LH6320","Beheshti, Azizolla; Brooks, Neil R.; Clegg, William; Khorrmdin, Rahman","Tetraethylammonium [1-methylimidazole-2(3<i>H</i>)-thione]copper(I)-di-μ-sulfido-dioxotungstate(VI)","Acta Crystallographica Section E","2004","60","12","m1923","m1926","10.1107/S1600536804030132","","","0.71073","MoKα","","0.0961","0.0924","","","0.2311","0.2329","","","","","","1.237","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204752","13.3652","0.0005","13.3652","0.0005","13.668","0.002","90","","90","","90","","2441.5","0.4","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Bis(tetra-n-butylammonium) tetrakis[chloro(μ~3~-sulfido)copper(I)]tungstate(VI)","","- C32 H72 Cl4 Cu4 N2 S4 W -","- C32 H72 Cl4 Cu4 N2 S4 W -","- C64 H144 Cl8 Cu8 N4 S8 W2 -","2","0.25","LH6324","Hossaini Sadr, Moayad; Seyed Ahmadian, Seyed Masoud; Brooks, Neil R.; Clegg, William","Bis(tetra-<i>n</i>-butylammonium) tetrakis[chloro(μ~3~-sulfido)copper(I)]tungstate(VI): a second polymorph","Acta Crystallographica Section E","2004","60","12","m1952","m1954","10.1107/S1600536804030582","","","0.71073","MoKα","","0.0304","0.0216","","","0.0501","0.0558","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204753","8.5942","0.0012","42.288","0.006","13.8795","0.0019","90","","101.839","0.003","90","","4936.9","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bis[(2,2':6',2''-terpyridin-4-yl)ethynyl]-2,2'- (3,6,9-trioxaundecane-1,11-diyldioxy)-1,1'-biphenyl ethyl acetate solvate","","- C58 H50 N6 O7 -","- C58 H50 N6 O7 -","- C232 H200 N24 O28 -","4","1","LH6325","Benniston, Andrew C.; Clegg, William; Harrington, Ross W.; Li, Peiyi","A sterically constrained bis(2,2':6',2''-terpyridine) ligand","Acta Crystallographica Section E","2004","60","12","o2452","o2454","10.1107/S1600536804030594","","","0.6948","synchrotron","","0.0596","0.0514","","","0.13","0.138","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204754","6.087","0.0014","9.529","0.002","12.021","0.003","93.682","0.004","96.977","0.004","103.543","0.004","669.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N-Cyclohexyl-2-oxo-2H-1-benzopyran-3-carboxamide","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","NC6004","Nancy E. Magaña-Vergara; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez; Herbert Höpfl; Efrén V. García-Báez","<i>N</i>-Cyclohexyl-2-oxo-2<i>H</i>-1-benzopyran-3-carboxamide","Acta Crystallographica Section E","2004","60","12","o2306","o2308","10.1107/S160053680402851X","","","0.71073","MoKα","","0.066","0.056","","","0.1351","0.1421","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204755","13.279","0.013","10.857","0.009","14.061","0.012","90","","101.02","0.07","90","","1990","3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(3,3',4,4'-tetramethyl-1,1'-diphosphaferrocene-κP)tungsten(0)","","- C17 H16 Fe O5 P2 W -","- C17 H16 Fe O5 P2 W -","- C68 H64 Fe4 O20 P8 W4 -","4","1","NC6008","Sieroń, Lesław; Tosik, Anita","Pentacarbonyl(3,3',4,4'-tetramethyl-1,1'-diphosphaferrocene-κ<i>P</i>)tungsten(0)","Acta Crystallographica Section E","2004","60","12","m1828","m1829","10.1107/S1600536804028910","","","0.71073","MoKα","","0.0358","0.0257","","","0.0571","0.0593","","","","","","1.026","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204756","11.921","0.0011","6.6042","0.0006","12.9122","0.0012","90","","108.951","0.001","90","","961.46","0.15","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","4,4'-Bipyridinium hexaaquacobalt(II) disulfate","","- C10 H22 Co N2 O14 S2 -","- C10 H22 Co N2 O14 S2 -","- C20 H44 Co2 N4 O28 S4 -","2","0.25","NG6056","Xin-Hua Li; Qian Miao; Hong-Ping Xiao; Mao-Lin Hu","4,4'-Bipyridinium hexaaquacobalt(II) disulfate","Acta Crystallographica Section E","2004","60","12","m1784","m1785","10.1107/S1600536804027783","","","0.71073","MoKα","","0.0344","0.0336","","","0.0893","0.09","","","","","","1.193","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2204757","13.121","0.005","8.731","0.003","16.205","0.006","90","","97.56","0.006","90","","1840.3","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 Cu N6 -","- C16 H16 Br2 Cu N6 -","- C64 H64 Br8 Cu4 N24 -","4","1","NG6059","Feng-Yi Xia; Xin-Hua Li; Xin-Xiang Lei","(2,2'-Bipyridine)bromodiimidazolecopper(II) bromide","Acta Crystallographica Section E","2004","60","12","m1955","m1956","10.1107/S1600536804030284","","","0.71073","MoKα","","0.0475","0.0343","","","0.0909","0.1084","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204758","12.486","0.003","12.904","0.003","6.8131","0.0014","90","","99.21","0.03","90","","1083.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquamagnesium(II) bis[(4-oxo-4H-pyridin-1-yl)acetate] dihydrate","","- C14 H28 Mg N2 O14 -","- C14 H28 Mg N2 O14 -","- C28 H56 Mg2 N4 O28 -","2","0.5","NG6065","Zhao, Jing-Gui; Zhang, Zhu-Yan; Huo, Li-Hua; Gao, Shan","Hexaaquamagnesium(II) bis[(4-oxo-4<i>H</i>-pyridin-1-yl)acetate] dihydrate","Acta Crystallographica Section E","2004","60","12","m1987","m1988","10.1107/S1600536804031113","","","0.71073","MoKα","","0.0604","0.0549","","","0.1726","0.1769","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204759","12.472","0.003","13.003","0.003","13.62","0.003","99.799","0.004","95.399","0.004","104.785","0.005","2082.5","0.8","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile N,N-dimethylformamide solvate","","- C23 H21 N3 O5 -","- C23 H21 N3 O5 -","- C92 H84 N12 O20 -","4","2","OB6421","Daqing Shi; Nan Wu; Qiya Zhuang; Yong Zhang","2-Amino-4-(4-methoxyphenyl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carbonitrile <i>N,N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2004","60","12","o2359","o2361","10.1107/S1600536804029356","","","0.7107","MoKα","","0.0627","0.0489","","","0.1112","0.1189","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204760","10.72","0.004","8.934","0.003","18.167","0.006","90","","94.636","0.007","90","","1734.2","1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxopyrano[3,2-c]pyran-3-carboxylate","","- C19 H19 N O6 -","- C19 H14 N O6 -","- C76 H56 N4 O24 -","4","1","OB6422","Daqing Shi; Lihui Niu; Xiangshan Wang; Qiya Zhuang; Yong Zhang","Ethyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxopyrano[3,2-<i>c</i>]pyran-3-carboxylate","Acta Crystallographica Section E","2004","60","12","o2362","o2364","10.1107/S1600536804029332","","","0.7107","MoKα","","0.0652","0.0594","","","0.1582","0.1634","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204761","10.598","0.002","6.2646","0.001","14.153","0.003","90","","102.06","0.02","90","","918.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3,6-Diethynyl-3,6-dihydroxycyclohexa-1,4-diene","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","1","OB6423","Arkasish Bandyopadhyay; Babu Varghese; Sankararaman, Sethuraman","(<i>Z</i>)-3,6-Diethynyl-3,6-dihydroxycyclohexa-1,4-diene","Acta Crystallographica Section E","2004","60","12","o2247","o2248","10.1107/S1600536804027631","","","0.71073","MoKα","","0.1702","0.0592","","","0.121","0.1538","","","","","","0.998","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204762","14.4742","0.0007","9.5767","0.0007","11.2075","0.0006","90","","90","","90","","1553.53","0.16","296","1","","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H19 O P -","- C18 H19 O P -","- C72 H76 O4 P4 -","4","0.5","OB6424","Jian-Ming Gu; Mao-Sheng Xu; Xiu-Rong Hu","1-(Diphenylphosphinoyl)-3,3-dimethylbut-1-yne","Acta Crystallographica Section E","2004","60","12","o2177","o2178","10.1107/S1600536804027217","","","0.7107","MoKα","","","0.036","","","","0.088","","","","","","1.002","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204763","6.7513","0.0018","11.01","0.003","13.74","0.004","107.117","0.005","93.142","0.003","104.813","0.005","934.2","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-7-methyl-4-(3,4-methylenedioxyphenyl)-5-oxopyrano[3,2-c]pyran-3- carbonitrile N,N-dimethylformamide solvate","","- C20 H19 N3 O6 -","- C20 H19 N3 O6 -","- C40 H38 N6 O12 -","2","1","OB6426","Daqing Shi; Lihui Niu; Xiangshan Wang; Qiya Zhuang; Yong Zhang","2-Amino-7-methyl-4-(3,4-methylenedioxyphenyl)-5-oxopyrano[3,2-<i>c</i>]pyran-3-carbonitrile <i>N,N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2004","60","12","o2371","o2373","10.1107/S1600536804029289","","","0.7107","MoKα","","0.0446","0.0392","","","0.0974","0.1018","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204764","28.126","0.006","7.8824","0.0013","22.096","0.005","90","","122.493","0.003","90","","4131.8","1.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-Amino-4-(3,4-dichlorophenyl)-4H-pyrano[3,2-c]coumarin-3-carbonitrile N,N-dimethylformamide solvate","2-amino-4-(3,4-dichlorophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile N,N-dimethylformamide solvate","","- C22 H17 Cl2 N3 O4 -","- C22 H17 Cl2 N3 O4 -","- C176 H136 Cl16 N24 O32 -","8","1","OB6427","Daqing Shi; Nan Wu; Qiya Zhuang; Yong Zhang","2-Amino-4-(3,4-dichlorophenyl)-4<i>H</i>-pyrano[3,2-<i>c</i>]coumarin-3-carbonitrile <i>N,N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2004","60","12","o2339","o2341","10.1107/S1600536804028995","","","0.7107","MoKα","","0.0426","0.0387","","","0.0916","0.0938","","","","","","1.109","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204765","12.9","0.003","7.8312","0.0019","14.722","0.004","90","","90","","90","","1487.3","0.6","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","Poly[[terachlorogold(III)potassium(I)(Au—K)]-μ-4,4'-bipyridine]","","- C10 H8 Au Cl4 K N2 -","- C10 H8 Au Cl4 K N2 -","- C40 H32 Au4 Cl16 K4 N8 -","4","0.25","OB6430","Song, Cheng; Li, Yi-Zhi; Chen, Ya-Qing; Xiao, Shou-Jun; You, Xiao-Zeng","Poly[[terachlorogold(III)potassium(I)(<i>Au{—</i>K})]-μ-4,4'-bipyridine]","Acta Crystallographica Section E","2004","60","12","m1741","m1743","10.1107/S1600536804026996","","","0.71073","MoKα","","0.0653","0.0399","","","0.0942","0.0994","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204766","9.268","0.002","14.595","0.002","14.466","0.002","90","","90.09","0.01","90","","1956.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[Ethoxy(quinolin-8-ylamino)methyl]anthracene","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C104 H88 N8 O4 -","4","1","OB6431","Huang, Bin; Li, Yi-Zhi; Zhou, Jian-Hao; Chen, Xue-Tai; Liu, Shan-Hui","9-[Ethoxy(8-quinolylamino)methyl]anthracene","Acta Crystallographica Section E","2004","60","12","o2365","o2367","10.1107/S1600536804029307","","","0.71073","MoKα","","0.0704","0.0497","","","0.1404","0.152","","","","","","1.069","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204767","9.978","0.005","9.918","0.004","15.426","0.007","90","","102.31","0.007","90","","1491.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Diaquamalonato(1,10-phenanthroline)manganese(II)","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C60 H56 Mn4 N8 O24 -","4","1","OB6432","Zhang, Quan-Zheng; Lu, Can-Zhong","<i>cis</i>-Diaquamalonato(1,10-phenanthroline)manganese(II)","Acta Crystallographica Section E","2004","60","12","m1778","m1780","10.1107/S1600536804027953","","","0.71073","MoKα","","0.0283","0.0265","","","0.0697","0.0709","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204768","4.77","0.001","5.797","0.002","22.923","0.007","83.65","0.02","84.16","0.01","84.92","0.01","624.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Poly[triaqua(μ-benzene-1,3-dioxyacetato)manganese(II)]","Poly[triaqua[μ-m-phenylenebis(oxyacetato)]manganese(II)]","","- C10 H14 Mn O9 -","- C10 H14 Mn O9 -","- C20 H28 Mn2 O18 -","2","1","OB6433","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Poly[triaqua(μ-benzene-1,3-dioxyacetato)manganese(II)]: a two-dimensional manganese(II) coordination polymer","Acta Crystallographica Section E","2004","60","12","m1849","m1851","10.1107/S1600536804029137","","","0.71073","MoKα","","0.059","0.043","","","0.121","0.133","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204769","8.2104","0.0016","5.9881","0.0012","19.473","0.004","90","","90.21","0.03","90","","957.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Poly[cadmium(II)-μ~4~-benzene-1,3-dioxyacetato]","poly[cadmium(II)-μ~4~-m-phenylenebis(oxyacetato)]","","- C10 H8 Cd O6 -","- C10 H8 Cd O6 -","- C40 H32 Cd4 O24 -","4","1","OB6434","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Poly[cadmium(II)-μ~4~-benzene-1,3-dioxyacetato]: a two-dimensional layer cadmium(II) coordination polymer","Acta Crystallographica Section E","2004","60","12","m1875","m1877","10.1107/S1600536804029265","","","0.71073","MoKα","","0.024","0.023","","","0.064","0.064","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204770","14.234","0.003","13.21","0.003","19.522","0.004","90","","104.56","0.03","90","","3552.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')zinc(II)]-μ-4- carboxylatophenoxyacetato-κ^3^O,O':O'']","","- C19 H16 N2 O6 Zn -","- C19 H16 N2 O6 Zn -","- C152 H128 N16 O48 Zn8 -","8","1","OB6435","Gao, Shan; Gu, Chang-Sheng; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Jing-Gui","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N,N</i>')zinc(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O,O</i>':<i>O</i>'']","Acta Crystallographica Section E","2004","60","12","m1906","m1908","10.1107/S1600536804029654","","","0.71073","MoKα","","0.0703","0.0442","","","0.0903","0.0985","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204771","14.175","0.003","5.0634","0.0009","19.912","0.003","90","","102.794","0.004","90","","1393.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3-fluorophenyl)-9H-xanthen-9-ylideneamine","","- C19 H12 F N O -","- C19 H12 F N O -","- C76 H48 F4 N4 O4 -","4","1","OB6436","Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.","<i>N</i>-(3-Fluorophenyl)-9<i>H</i>-xanthen-9-ylideneamine","Acta Crystallographica Section E","2004","60","12","o2376","o2377","10.1107/S1600536804029666","","","0.71073","MoKa","","0.1557","0.0819","","","0.1346","0.157","","","","","","1.117","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204772","20.052","0.004","10.3835","0.0019","7.5229","0.0014","90","","99.375","0.003","90","","1545.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[(9E)-2-Chloro-9-thia-9H-xanthen-9-ylidene]-N-(4-fluorophenyl)amine","","- C19 H11 Cl F N S -","- C19 H11 Cl F N S -","- C76 H44 Cl4 F4 N4 S4 -","4","1","OB6437","Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.","<i>N</i>-[(9<i>E</i>)-2-Chloro-9-thia-9<i>H</i>-xanthen-9-ylidene]-<i>N</i>-(4-fluorophenyl)amine","Acta Crystallographica Section E","2004","60","12","o2408","o2409","10.1107/S1600536804029794","","","0.71073","MoKα","","0.135","0.0922","","","0.2175","0.244","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204773","10.895","0.006","11.006","0.006","13.595","0.008","90","","106.526","0.009","90","","1562.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol","","- C14 H17 Cl2 N3 O -","- C14 H17 Cl2 N3 O -","- C56 H68 Cl8 N12 O4 -","4","1","OB6438","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","2-(2,4-Dichlorophenyl)-1-(1<i>H</i>-1,2,4-triazol-1-yl)hexan-2-ol (hexaconazole)","Acta Crystallographica Section E","2004","60","12","o2410","o2412","10.1107/S1600536804029800","","","0.71073","MoKα","","0.0431","0.0376","","","0.0959","0.1001","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204774","6.493","0.005","28.74","0.02","6.812","0.005","90","","105.486","0.012","90","","1225","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Thiamethaxam","(4E)-3-[(2-Chloro-4,5-dihydro-1,3-thiazol-5-yl)methyl]-5-methyl-N-nitro- 1,3,5-oxadiazinan-4-imine","","- C8 H10 Cl N5 O3 S -","- C8 H10 Cl N5 O3 S -","- C32 H40 Cl4 N20 O12 S4 -","4","1","OB6439","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","(4<i>E</i>)-3-[(2-Chloro-4,5-dihydro-1,3-thiazol-5-yl)methyl]-5-methyl-<i>N</i>-nitro-1,3,5-oxadiazinan-4-imine (thiamethaxam)","Acta Crystallographica Section E","2004","60","12","o2413","o2414","10.1107/S1600536804029812","","","0.71073","MoKα","","0.0768","0.0655","","","0.1693","0.1763","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204775","19.29","0.008","4.839","0.002","11.784","0.005","90","","99.22","0.006","90","","1085.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Imidachloprid","(2E)-1-[(6-Chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine (imidachloprid)","","- C9 H10 Cl N5 O2 -","- C9 H10 Cl N5 O2 -","- C36 H40 Cl4 N20 O8 -","4","1","OB6440","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","(2<i>E</i>)-1-[(6-Chloropyridin-3-yl)methyl]-<i>N</i>-nitroimidazolidin-2-imine (imidachloprid)","Acta Crystallographica Section E","2004","60","12","o2415","o2417","10.1107/S1600536804029824","","","0.71073","MoKα","","0.0765","0.0584","","","0.1513","0.1619","","","","","","1.121","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204776","9.263","0.003","14.038","0.004","15.137","0.005","90","","105.294","0.005","90","","1898.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyrazosulfuron-ethyl","Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl]-1-methyl-1H-pyrazole- 4-carboxylate","","- C14 H18 N6 O7 S -","- C14 H18 N6 O7 S -","- C56 H72 N24 O28 S4 -","4","1","OB6441","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl]-1-methyl-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2004","60","12","o2418","o2420","10.1107/S1600536804029836","","","0.71073","MoKα","","0.0585","0.0489","","","0.1457","0.1587","","","","","","0.838","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204777","16.843","0.016","15.48","0.014","13.728","0.013","90","","114.337","0.014","90","","3261","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","kresoxim methyl","Methyl 2(E)-methoxyimino-2-[2-(2-methylphenoxymethyl)phenyl]acetate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","1","OB6442","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","Methyl 2(<i>E</i>)-methoxyimino-2-[2-(2-methylphenoxymethyl)phenyl]acetate","Acta Crystallographica Section E","2004","60","12","o2421","o2423","10.1107/S1600536804029848","","","0.71073","MoKα","","0.0748","0.0498","","","0.1316","0.1489","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204778","10.738","0.005","19.953","0.01","19.498","0.009","90","","91.863","0.005","90","","4175","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetra-n-butlyammonium μ-bromo-di-μ-cyclohexanethiolato-bis[tricarbonylmolybdenum(I)]","","- C34 H58 Br Mo2 N O6 S2 -","- C34 H58 Br Mo2 N O6 S2 -","- C136 H232 Br4 Mo8 N4 O24 S8 -","4","1","RN6026","Zhang-Feng Zhou; Yong-Qin Wei; Bo-Tao Zhuang; Ke-Chen Wu; Chao-Yong Mang; Tao Hong; Ming-Xi Zhang","Tetra-<i>n</i>-butylammonium μ-bromo-di-μ-cyclohexanethiolato-bis[tricarbonylmolybdenum(I)]","Acta Crystallographica Section E","2004","60","12","m1857","m1858","10.1107/S1600536804029010","","","0.71073","MoKα","","0.0312","0.0282","","","0.0725","0.0746","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204779","9.0034","0.001","19.4609","0.0019","12.7448","0.0013","90","","93.005","0.005","90","","2230","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","catena-Poly[[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]- μ-benzene-1,3-dioxyacetato-κ^2^O:O'] dihydrate]","catena-poly[[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]- μ-phenylenebis(oxyacetato)-κ^2^O:O'] dihydrate]","","- C22 H22 Cu N2 O9 -","- C22 H22 Cu N2 O9 -","- C88 H88 Cu4 N8 O36 -","4","1","RN6028","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","<i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-benzene-1,3-dioxyacetato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]","Acta Crystallographica Section E","2004","60","12","m1769","m1771","10.1107/S1600536804027758","","","0.71073","MoKα","","0.048","0.04","","","0.101","0.105","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204780","8.047","0.003","14.384","0.005","14.386","0.005","90","","98.311","0.005","90","","1647.7","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro{2-[(5-nitrosalicylidene)aminoethyl]-1H-benzimidazole}copper(II)","","- C16 H13 Cl Cu N4 O3 -","- C16 H13 Cl Cu N4 O3 -","- C64 H52 Cl4 Cu4 N16 O12 -","4","1","RN6029","Xiao-Hang, Qiu; Hong-Yan, Wu","Chloro{2-[(5-nitrosalicylidene)aminoethyl]-1<i>H</i>-benzimidazole}copper(II)","Acta Crystallographica Section E","2004","60","12","m1855","m1856","10.1107/S1600536804029034","","","0.71073","MoKα","","0.068","0.038","","","0.078","0.088","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204781","6.1452","0.0014","9.731","0.002","14.69","0.003","98.711","0.004","93.971","0.004","104.444","0.004","835.6","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Morpholinoethyl)-3-(3-phenylacryloyl)thiourea","","- C16 H21 N3 O2 S -","- C16 H21 N3 O2 S -","- C32 H42 N6 O4 S2 -","2","1","RN6031","Yamin, Bohari M.; Hassan, Ibrahim N.","1-(2-Morpholinoethyl)-3-(3-phenylacryloyl)thiourea","Acta Crystallographica Section E","2004","60","12","o2513","o2514","10.1107/S1600536804030831","","","0.71073","MoKα","","0.065","0.053","","","0.125","0.131","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204782","10.2015","0.0017","10.621","0.0013","14.872","0.002","90","","106.838","0.008","90","","1542.3","0.4","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-4,4'-Bipyridine-bis[aqua(N-salicylideneaspartato)copper(II)]","","- C32 H30 Cu2 N4 O12 -","- C32 H30 Cu2 N4 O12 -","- C64 H60 Cu4 N8 O24 -","2","0.5","RN6032","Lou, Ben-Yong; Yuan, Da-Qiang; Wu, Ben-Lai; Hong, Mao-Chun","μ-4,4'-Bipyridine-bis[aqua(<i>N</i>-salicylideneaspartato)copper(II)]","Acta Crystallographica Section E","2004","60","12","m1976","m1977","10.1107/S1600536804030855","","","0.71073","MoKα","","0.055","0.0445","","","0.1041","0.1129","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204783","9.1248","0.0007","12.0366","0.001","14.2666","0.0011","90","","90","","90","","1566.9","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-tolyl 2,3-anhydro-5,6-O-isopropylidene-1-thio-β-D-talofuranoside","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C64 H80 O16 S4 -","4","1","RZ6011","Bai, Yu; Lowary, Todd L.; Ferguson, Michael J.","<i>p</i>-Tolyl 2,3-anhydro-5,6-<i>O</i>-isopropylidene-1-thio-β-<small>D</small>-gulofuranoside","Acta Crystallographica Section E","2004","60","12","o2201","o2203","10.1107/S1600536804027266","","","0.71073","MoKα","","0.0414","0.0327","","","0.0753","0.0795","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204784","5.3003","0.0003","10.354","0.0005","8.5137","0.0004","90","","96.127","0.001","90","","464.56","0.04","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aS,8aS,9R,9aS)-9-Hydroxy-2,3,3a,7,8,8a,9,9a-octahydrofuro[3,2-f]indolizin- 6(4H)-one","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C20 H30 N2 O6 -","2","1","RZ6013","Vrábel, Viktor; Kožíšek, Jozef; Langer, Vratislav; Marchalín, Štefan; Szemes, Fridrich","(3a<i>S</i>,8a<i>S</i>,9<i>R</i>,9a<i>S</i>)-9-Hydroxy-2,3,3a,7,8,8a,9,9a-octahydrofuro[3,2-<i>f</i>]indolizin-6(4<i>H</i>)-one","Acta Crystallographica Section E","2004","60","12","o2211","o2213","10.1107/S1600536804027515","","","0.71073","MoKα","","0.0924","0.0674","","","0.152","0.1664","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204785","8.303","0.0017","10.334","0.002","13.251","0.003","83.74","0.03","86.98","0.03","69.58","0.03","1059","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diazidobis(2,2'-bipyridine)zinc(II) monohydrate","","- C20 H18 N10 O Zn -","- C20 H18 N10 O Zn -","- C40 H36 N20 O2 Zn2 -","2","1","RZ6014","Fangfang Jian; Chunlei Li; Pingping Sun; Hailian Xiao","Diazidobis(2,2'-bipyridine)zinc(II) monohydrate","Acta Crystallographica Section E","2004","60","12","m1811","m1812","10.1107/S1600536804028466","","","0.71073","MoKα","","0.0709","0.0392","","","0.0749","0.0845","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204786","9.748","0.002","19.923","0.004","14.598","0.003","90","","95.92","0.03","90","","2819.9","1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[tris(pyridine-κN)cadmium(II)]-μ-{2-[3-(1-carboxylatomethyl)- 4-nitrophenyl]propionato-κ^2^O,O'} dihydrate]","","- C26 H28 Cd N4 O8 -","- C26 H28 Cd N4 O8 -","- C104 H112 Cd4 N16 O32 -","4","1","RZ6015","Gao, Shan; Huo, Li-Hua; Zhang, Xian-Fa; Ng, Seik Weng","<i>catena</i>-Poly[[[tris(pyridine-κ<i>N</i>)cadmium(II)]-μ-{2-[3-(1-carboxylatomethyl)-4-nitrophenyl]propionato-κ^2^<i>O,O</i>'}] dihydrate]","Acta Crystallographica Section E","2004","60","12","m1788","m1789","10.1107/S1600536804027795","","","0.71073","MoKα","","0.053","0.037","","","0.088","0.094","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204787","6.3388","0.0013","12.79","0.003","10.196","0.002","90","","103.74","0.03","90","","803","0.3","301","2","301","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloro[(4S,4'S)-4,4'-diisopropyl-2,2'-bi-1,3-oxazoline]palladium(II)","","- C12 H20 Cl2 N2 O2 Pd -","- C12 H20 Cl2 N2 O2 Pd -","- C24 H40 Cl4 N4 O4 Pd2 -","2","1","RZ6016","Kožíšek, Jozef; Fronc, Marek; Svoboda, Ingrid; Kapitán, Peter; Gracza, Tibor","Dichloro[(4<i>S</i>,4'<i>S</i>)-4,4'-diisopropyl-2,2'-bi-1,3-oxazoline]palladium(II)","Acta Crystallographica Section E","2004","60","12","m1895","m1896","10.1107/S1600536804029290","","","0.71073","MoKα","","0.0266","0.0255","","","0.0589","0.0599","","","1.082","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204788","9.2662","0.0019","9.6794","0.0016","10.854","0.002","90","","90.061","0.017","90","","973.5","0.3","291","2","291","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Urotropinium perchlorate","3,5,7-Triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane perchlorate","","- C6 H13 Cl N4 O4 -","- C6 H13 Cl N4 O4 -","- C24 H52 Cl4 N16 O16 -","4","1","RZ6017","Kruszynski, Rafal; Trzesowska, Agata","3,5,7-Triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane perchlorate","Acta Crystallographica, Section E","2004","60","12","o2347","o2349","10.1107/S1600536804029320","","","0.71073","MoKα","","0.0818","0.0764","","","0.1932","0.2016","","","","","","1.11","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204789","19.651","0.006","5.6123","0.0011","17.187","0.003","90","","103.76","0.03","90","","1841.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F N4 O S -","- C19 H17 F N4 O S -","- C76 H68 F4 N16 O4 S4 -","4","1","RZ6019","Liangzhong Xu; Chongyi Zhu; Guodong Si; Yongqi Qin; Kai Li","3-Anilino-1-(2-fluoro-5-methylphenyl)-3-(methylsulfanyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2004","60","12","o2471","o2472","10.1107/S160053680403048X","","","0.71073","MoKα","","0.0651","0.0424","","","0.1068","0.1246","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204790","7.888","0.0016","16.006","0.003","11.579","0.004","90","","115.38","0.02","90","","1320.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Fe O2 -","- C17 H14 Fe O2 -","- C68 H56 Fe4 O8 -","4","1","RZ6020","Fangfang Jian; Huaibo Ma; Pingping Sun; Hailian Xiao","Ferrocenylbenzoic acid","Acta Crystallographica Section E","2004","60","12","m1961","m1962","10.1107/S1600536804030491","","","0.71073","MoKα","","0.1722","0.055","","","0.1142","0.15","","","","","","0.961","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204791","27.3044","0.0005","27.3044","0.0005","8.3804","0.0002","90","","90","","120","","5410.79","0.19","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","[1,5-Dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl]imidazolium chloride","","- C7 H13 Cl N6 O -","- C7 H13 Cl N6 O -","- C126 H234 Cl18 N108 O18 -","18","1","RZ6022","Mills, Allison M.; Wu, Jian-Zhong; Bouwman, Elisabeth; Reedijk, Jan; Spek, Anthony L.","(1,5-Dimethyl-6-oxo-1,2,4,5-tetrazinan-3-yl)imidazolium chloride","Acta Crystallographica Section E","2004","60","12","o2482","o2484","10.1107/S1600536804030545","","","0.71073","MoKα","","0.0597","0.0403","","","0.1003","0.1061","","","","","","1.057","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204792","7.6861","0.0003","10.8182","0.0004","7.8238","0.0003","90","","91.469","0.0016","90","","650.33","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Dimethyl-1,2,4,5-tetrazinane-3,6-dione","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C16 H32 N16 O8 -","4","1","RZ6023","Mills, Allison M.; Wu, Jian-Zhong; Bouwman, Elisabeth; Reedijk, Jan; Spek, Anthony L.","1,5-Dimethyl-1,2,4,5-tetrazinane-3,6-dione","Acta Crystallographica Section E","2004","60","12","o2485","o2487","10.1107/S1600536804030557","","","0.71073","MoKα","","0.0549","0.0384","","","0.0995","0.1098","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204793","6.2289","0.0006","10.024","0.001","7.8351","0.0008","90","","97.987","0.002","90","","484.47","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,1'-Dibromoferrocene","","- C10 H8 Br2 Fe -","- C10 H8 Br2 Fe -","- C20 H16 Br4 Fe2 -","2","1","SJ6016","Hnetinka, Chrissy A.; Hunter, Allen D.; Zeller, Matthias; Lesley, M. J. Gerald","1,1'-Dibromoferrocene","Acta Crystallographica Section E","2004","60","12","m1806","m1807","10.1107/S1600536804028429","","","0.71073","MoKα","","0.037","0.0367","","","0.0943","0.0945","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204794","9.9739","0.0014","20.116","0.002","17.033","0.004","90","","90.86","0.016","90","","3417","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)cadmium(II)","","- C22 H40 Cd N2 S10 -","- C22 H40 Cd N2 S10 -","- C88 H160 Cd4 N8 S40 -","4","1","SJ6018","Li, Ting Bin; Yu, Wen Tao; Xu, Dong; Wang, Xin Qiang; Zhang, Guang Hui","Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)cadmium(II)","Acta Crystallographica Section E","2004","60","12","m1886","m1888","10.1107/S1600536804029277","","","0.71073","MoKα","","0.0555","0.0376","","","0.0874","0.0949","","","","","","1.015","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204795","7.646","0.003","11.07","0.004","13.815","0.004","90","","90","","90","","1169.3","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(1,3-dioxoisoindolin-2-yl)benzaldehyde","","- C15 H9 N O3 -","- C15 H9 N O3 -","- C60 H36 N4 O12 -","4","1","SJ6020","Liu, Xin-Gang; Feng, Ya-Qing; Wu, Peng; Chen, Xue; Li, Fei","4-(1,3-Dioxoisoindolin-2-yl)benzaldehyde","Acta Crystallographica Section E","2004","60","12","o2293","o2294","10.1107/S1600536804028272","","","0.71073","MoKα","","0.0591","0.0372","","","","0.0915","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204796","8.842","0.003","9.519","0.003","11.996","0.003","99.095","0.019","103.42","0.02","90.85","0.02","968.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis{μ-1-[4-(carbodiimido)phenyl]tetrazolato-κ^2^N:C^5^} bis[bis(trimethylphosphine-κP)palladium(II)]","","- C28 H44 N12 P4 Pd2 -","- C28 H44 N12 P4 Pd2 -","- C28 H44 N12 P4 Pd2 -","1","0.5","SJ6022","Han, Won Seok; Lee, Hee Keun; Kim, Yong-Joo; Lee, Soon W.","A cyclic dipalladium compound formed by concomitant N‒C coupling and [2+3]-cycloaddition: bis{μ-1-[4-(carbodiimido)phenyl]tetrazolato-κ^2^<i>N</i>:<i>C</i>^5^}bis[bis(trimethylphosphine-κ<i>P</i>)palladium(II)]","Acta Crystallographica Section E","2004","60","12","m1813","m1814","10.1107/S1600536804028260","","","0.71073","MoKα","","0.0393","0.0348","","","0.0903","0.0939","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204797","7.559","0.0015","10.862","0.002","13.144","0.003","72.12","0.03","80.82","0.03","84.33","0.03","1012.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[diaquabis(3-hydroxypyridine-κN)cobalt(II)]-μ- (4-carboxylatophenoxyacetato-κ^2^O:O'] monohydrate]","","- C19 H22 Co N2 O10 -","- C19 H22 Co N2 O10 -","- C38 H44 Co2 N4 O20 -","2","1","SJ6024","Gao, Shan; Gu, Chang-Sheng; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Jing-Gui","<i>catena</i>-Poly[[[diaquabis(3-hydroxypyridine-κ<i>N</i>)cobalt(II)]-μ-(4-carboxylatophenoxy)acetato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2004","60","12","m1830","m1832","10.1107/S1600536804028673","","","0.71073","MoKα","","0.043","0.0387","","","0.1023","0.105","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204798","8.769","0.006","11.178","0.008","12.418","0.009","71.074","0.009","77.684","0.009","88.014","0.009","1124.1","1.4","163","2","163","2","","","","","","","","4","P -1","-P 1","2","6-Isopropoxy-5-isopropyl-1H-pyrimidine-2,4-dione","6-Isopropoxy-5-isopropylpyrimidine-2,4(1H,3H)-dione","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C40 H64 N8 O12 -","4","2","SJ6029","Lewis, William; McKeown, Robert H.; Robinson, Ward T.","6-Isopropoxy-5-isopropylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2004","60","12","o2429","o2431","10.1107/S1600536804030077","","","0.71073","MoKα","","0.1251","0.0769","","","0.1828","0.1979","","","","","","0.912","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204799","7.5678","0.0008","14.4964","0.0016","5.9874","0.0005","90","","108.607","0.006","90","","622.52","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-dinitrodibenzyl","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","SJ6030","Hemmige S. Yathirajan; Basavegowda Nagaraj; Padmarajaiah Nagaraja; Daniel E. Lynch","2,2'-Dinitrodibenzyl","Acta Crystallographica Section E","2004","60","12","o2455","o2456","10.1107/S1600536804030326","","","0.71073","MoKα","","0.1084","0.0606","","","0.1432","0.1652","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204800","5.9572","0.0004","12.9894","0.0009","12.1234","0.0009","90","","98.169","0.001","90","","928.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate","","- C9 H9 N O2 S -","- C9 H9 N O2 S -","- C36 H36 N4 O8 S4 -","4","1","SJ6031","Chantson, Janine T; Liles, David C","Ethyl 4<i>H</i>-thieno[3,2-<i>b</i>]pyrrole-5-carboxylate","Acta Crystallographica Section E","2004","60","12","o2493","o2494","10.1107/S1600536804030569","","","0.71073","MoKα","","0.0438","0.0395","","","0.106","0.1133","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204801","9.642","0.002","11.103","0.002","13.272","0.003","90","","91.01","0.03","90","","1420.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(dimethylammonium) terephtalate","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","1","TK6190","Karpova, Elena V.; Zakharov, Maxim A.; Gutnikov, Sergey I.; Alekseyev, Roman S.","Bis(dimethylammonium) terephthalate","Acta Crystallographica Section E","2004","60","12","o2491","o2492","10.1107/S1600536804028685","","","0.71073","MoKα","","0.097","0.053","","","0.121","0.134","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204802","13.27","0.003","12.861","0.003","8.77","0.002","90","","115.791","0.004","90","","1347.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(3,5-dimethyl-1,2,4-triazolato-κN^4^)bis(pivalic acid-κO)copper(II) dihydrate","","- C18 H36 Cu N6 O6 -","- C18 H36 Cu N6 O6 -","- C36 H72 Cu2 N12 O12 -","2","0.25","TK6192","Zhou, Jian-Hao; Li, Yi-Zhi; Huang, Bin; Chen, Xue-Tai","Bis(3,5-dimethyl-1,2,4-triazolato-κ<i>N</i>^4^)bis(pivalic acid-κ<i>O</i>)copper(II) dihydrate","Acta Crystallographica Section E","2004","60","12","m1889","m1891","10.1107/S1600536804028697","","","0.71073","MoKα","","0.07","0.062","","","0.161","0.164","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204803","14.4124","0.0006","12.583","0.0006","17.9361","0.0008","90","","104.833","0.001","90","","3144.3","0.2","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","μ-3,4,5,6-Tetrafluorophthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]","","- C68 H78 F4 O4 Sn2 -","- C68 H78 F4 O4 Sn2 -","- C136 H156 F8 O8 Sn4 -","2","0.5","TK6194","Tian, Lai-Jin; Sun, Yu-Xi; Ng, Seik Weng","μ-3,4,5,6-Tetrafluorophthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]","Acta Crystallographica Section E","2004","60","12","m1752","m1753","10.1107/S1600536804027229","","","0.71073","MoKα","","0.032","0.028","","","0.065","0.068","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204804","16.541","0.002","16.541","","25.154","0.007","90","","90","","120","","5960.2","1.8","295","2","295","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","tris(dimethylammonium) dodecamolybdophosphate","","- C6 H24 Mo12 N3 O40 P -","- C6 H24 Mo12 N3 O40 P -","- C36 H144 Mo72 N18 O240 P6 -","6","0.166667","TK6195","Ng, Seik Weng","Rerefinement of tris(dimethylammonium) dodecamolybdophosphate in the space group <i>R</i>øverline 3<i>m</i>","Acta Crystallographica Section E","2004","60","12","m1786","m1787","10.1107/S1600536804027941","","","0.71073","MoKα","","0.033","0.027","","","0.067","0.069","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204805","5.9624","0.0001","10.5889","0.0002","10.7089","0.0002","90","","90","","90","","676.11","0.02","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,5S,8R)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one","","- C6 H9 N O4 -","- C6 H9 N O4 -","- C24 H36 N4 O16 -","4","1","TK6196","Punzo, Francesco; Watkin, David J.; Iezzi Simone, Michela; Fleet, George W. J.","(1<i>R</i>,5<i>S</i>,8<i>R</i>)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one","Acta Crystallographica Section E","2004","60","12","o2315","o2317","10.1107/S1600536804028983","","","0.71073","MoKα","","0.028","0.028","","0.069","0.069","0.069","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204806","11.824","0.001","6.9357","0.0006","14.4896","0.0012","90","","90.423","0.002","90","","1188.23","0.17","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(2-pyrimidinyl)disulfide dihydrate","Bis(2-pyrimidinyl) disulfide dihydrate","","- C8 H10 N4 O2 S2 -","- C8 H10 N4 O2 S2 -","- C32 H40 N16 O8 S8 -","4","1","TK6197","Jensen, Gayleen B.; Smith, Graham; Sagatys, Dalius S.; Healy, Peter C.; White, Jonathan M.","Bis(2-pyrimidinyl) disulfide dihydrate: a redetermination","Acta Crystallographica Section E","2004","60","12","o2438","o2440","10.1107/S1600536804029782","","","0.71069","MoKα","","0.044","0.037","","","0.098","0.103","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204807","29.0545","0.0014","42.7251","0.0015","4.784","0.001","90","","90","","90","","5938.6","1.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","poly[[(1H-benzimidazole-κN^3^)copper(II)]-μ~3~-(3-carboxylatophenoxyacetato- κ^4^O,O':O'':O''')]","","- C16 H12 Cu N2 O5 -","- C16 H12 Cu N2 O5 -","- C256 H192 Cu16 N32 O80 -","16","1","TK6198","Gao, Shan; Gu, Chang-Sheng; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Jing-Gui","A two-dimensional coordination polymer containing copper(II): poly[[(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II)]-μ~3~-3-carboxylatophenoxyacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''']","Acta Crystallographica Section E","2004","60","12","m1936","m1938","10.1107/S1600536804030065","","","0.71073","MoKα","","0.052","0.041","","","0.095","0.102","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204808","8.3007","0.0005","12.2295","0.0006","16.5605","0.001","103.42","0.004","95.561","0.003","106.758","0.003","1541.35","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Butyl-4-chloro-1-(4-nitrobenzyl)-1H-imidazole-5-carboxaldehyde","","- C15 H16 Cl N3 O3 -","- C15 H16 Cl N3 O3 -","- C60 H64 Cl4 N12 O12 -","4","2","TK6201","Gaonkar, Santhosh L.; Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Narasegowda, Rajenahally S.; Lynch, Daniel E.","2-Butyl-4-chloro-1-(4-nitrobenzyl)-1<i>H</i>-imidazole-5-carboxaldehyde","Acta Crystallographica Section E","2004","60","12","o2520","o2521","10.1107/S1600536804031162","","","0.71073","MoKα","","0.121","0.057","","","0.114","0.139","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204809","12.6214","0.0006","6.2949","0.0002","9.3973","0.0004","90","","98.254","0.002","90","","738.89","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentafluoroboronic acid","","- C6 H2 B F5 O2 -","- C6 H2 B F5 O2 -","- C24 H8 B4 F20 O8 -","4","1","WK6027","Horton, Peter N.; Hursthouse, Michael B.; Beckett, Michael A.; Rugen-Hankey, Martin P.","Pentafluorophenylboronic acid","Acta Crystallographica Section E","2004","60","12","o2204","o2206","10.1107/S1600536804022408","","","0.71073","MoKα","","0.073","0.044","","","0.102","0.116","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204810","13.302","0.003","11.707","0.002","14.412","0.003","90","","91.76","0.03","90","","2243.3","0.8","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","substituted isoxazole carboxylic acid ethyl ester","Ethyl 5-(5-oxo-2,3-dihydro-5H-oxazolo[2,3-a]isoindol-9b-ylmethyl)-4-(2,5,5-trimethyl- 1,3-dioxan-2-yl)isoxazole-3-carboxylate","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C96 H112 N8 O28 -","4","1","WK6034","Nelson, Jared; Twamley, Brendan; Natale, Nicholas R.","Ethyl 5-(5-oxo-2,3-dihydro-5<i>H</i>-oxazolo[2,3-<i>a</i>]isoindol-9b-ylmethyl)-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylate: the product of a novel synthetic method","Acta Crystallographica Section E","2004","60","12","o2255","o2257","10.1107/S1600536804027655","","","0.71073","MoKα","","0.07","0.048","","","0.107","0.117","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204811","28.352","0.004","9.1532","0.0011","12.1556","0.0015","90","","102.178","0.002","90","","3083.5","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(pabtp)Ni","{4,4'-Di-tert-butyl-6,6'-bis(dimethoxymethyl)-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]bis(thiophenolato)-κ^4^S,N,N',S'}nickel(II)","","- C31 H44 N2 Ni O4 S2 -","- C31 H44 N2 Ni O4 S2 -","- C124 H176 N8 Ni4 O16 S8 -","4","0.5","WK6035","Bjernemose, Jens K.; McKenzie, Christine J.; Raithby, Paul R.; Teat, Simon J.","{4,4'-Di-<i>tert</i>-butyl-6,6'-bis(dimethoxymethyl)-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]bis(thiophenolato)-κ^4^<i>S,N,N</i>',<i>S</i>'}nickel(II)","Acta Crystallographica Section E","2004","60","12","m1841","m1843","10.1107/S1600536804028879","","","0.6881","Synchrotron","","0.098","0.084","","","0.213","0.228","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2204812","9.2004","0.0018","8","0.0016","12.735","0.003","90","","92.95","0.03","90","","936.1","0.3","150","2","150","2","","","","","","","","1","P 1 21/c 1","-P 2ybc","14","","beta-monoclinic cyclooctaselenium","","- Se8 -","- Se8 -","- Se32 -","4","1","WM6031","Tiina Maaninen; Jari Konu; Risto S. Laitinen","A low-temperature redetermination of the monoclinic β-form of cyclooctaselenium","Acta Crystallographica Section E","2004","60","12","o2235","o2237","10.1107/S1600536804024055","","","0.71073","MoKα","","0.0584","0.04","","","0.0874","0.0954","","","","","","1.091","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204813","24.392","0.008","9.278","0.003","28.403","0.01","90","","94.979","0.007","90","","6404","4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Monopotassium octapyridinium tris[hexachlorobismuthate(III)]","","- C40 H48 Bi3 Cl18 K N8 -","- C40 H48 Bi3 Cl18 K N8 -","- C160 H192 Bi12 Cl72 K4 N32 -","4","1","WM6037","Zhang, Hui; Fang, Liang","Monopotassium octapyridinium tris[hexachlorobismuthate(III)]","Acta Crystallographica Section E","2004","60","12","m1819","m1821","10.1107/S1600536804028521","","","0.71073","MoKα","","0.0516","0.032","","","0.064","0.0782","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204814","17.6404","0.0003","6.70735","0.00008","6.99525","0.00008","90","","109.157","0.001","90","","781.846","0.019","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gallium borophosphate","gallium catena-[monohydrogenborate-dihydrogenborate-bis(monohydrogenphosphate)]","","- B2 Ga H5 O12 P2 -","- B2 Ga O12 P2 -","- B8 Ga4 O48 P8 -","4","0.5","WM6038","Shao-Yu Mao; Jin-Xiao Mi; Liev G. Akselrud; Ya-Xi Huang; Jing-Tai Zhao; Rüdiger Kniep","The layered gallium borophosphate Ga[B~2~P~2~O~7~(OH)~5~] refined from X-ray powder data","Acta Crystallographica Section E","2004","60","12","i149","i151","10.1107/S1600536804029150","","","1.5406","CuKα~1~","","0.033","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204815","13.122","0.003","13.122","0.003","9.0964","0.0018","90","","90","","120","","1356.4","0.5","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","dicerium triruthenium pentadecaaluminium","","- Al15 Ce2 Ru3 -","- Al15 Ce2 Ru3 -","- Al60 Ce8 Ru12 -","4","0.166667","WM6039","Tursina, Anna I.; Nesterenko, Sergei N.; Murashova, Elena V.; Chernyshev, Ilia V.; Noël, Henri; Seropegin, Yuri D.","Ce~2~Ru~3~Al~15~, an intermetallic compound of a new structure type","Acta Crystallographica Section E","2004","60","12","i145","i146","10.1107/S1600536804030119","","","0.71073","MoKα","","0.0958","0.0294","","","0.082","0.1268","","","","","","0.74","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204816","9.9205","0.0008","11.507","0.001","9.9406","0.0009","90","","90","","90","","1134.77","0.17","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Tricesium tantalum tetrasulfide","Tricesium tantalum tetrasulfide","","- Cs3 S4 Ta -","- Cs3 S4 Ta -","- Cs12 S16 Ta4 -","4","0.5","WM6040","Deng, Bin; Ibers, James A.","Cs~3~TaS~4~","Acta Crystallographica Section E","2004","60","12","i147","i148","10.1107/S1600536804029927","","","0.71073","MoKα","","0.0257","0.0255","","","0.0705","0.0707","","","","","","1.198","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204817","11.6509","0.001","18.0743","0.0017","16.5092","0.0016","90","","128.36","0.002","90","","2726","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloro[2-(1-ethyl-1H-benzoimidazol-2-yl)phenol-κN]o[2-(1-ethyl-1H- benzoimidazol-2-yl)phenolato-κ^2^N^3^,O]zinc(II)","","- C30 H27 Cl N4 O2 Zn -","- C30 H27 Cl N4 O2 Zn -","- C120 H108 Cl4 N16 O8 Zn4 -","4","1","WN6291","Tong, Yi-Ping; Ye, Bao-Hui","Chloro[2-(1-ethyl-1<i>H</i>-benzimidazol-2-yl)phenol-κ<i>N</i>^3^][2-(1-ethyl-1<i>H</i>-benzimidazol-2-yl)phenolato-κ^2^<i>N</i>^3^,<i>O</i>]zinc(II)","Acta Crystallographica Section E","2004","60","12","m1927","m1929","10.1107/S1600536804028880","","","0.71073","MoKα","","0.1239","0.0628","","","0.1375","0.1625","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204818","7.8909","0.001","10.2693","0.0014","13.2831","0.0018","86.49","0.002","72.899","0.002","78.974","0.003","1009.8","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","[2-(Dimethylamino)benzyl][(N‒B)-2-(dimethylammonio)benzyl]phenylborate","","- C24 H29 B N2 -","- C24 H29 B N2 -","- C48 H58 B2 N4 -","2","1","WN6293","Tong, Hong-Bo; Wei, Xue-Hong; Liu, Dian-Sheng; Huang, Shu-Ping","[2-(Dimethylamino)benzyl][(<i>N</i>‒<i>B</i>)-2-(dimethylammonio)benzyl]phenylborate","Acta Crystallographica Section E","2004","60","12","o2270","o2272","10.1107/S1600536804028065","","","0.71073","MoKα","","0.1205","0.0871","","","0.1607","0.1759","","","","","","1.16","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204819","7.3236","0.001","7.6535","0.001","18.761","0.003","90","","100.312","0.002","90","","1034.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[(4-Bromo-2-thienyl)methylenehydrazinocarboxyl]-1H-1,2,4-triazole","","- C8 H6 Br N5 O S -","- C8 H6 Br N5 O S -","- C32 H24 Br4 N20 O4 S4 -","4","1","WN6294","Jian-Guo Yang; Fu-You Pan","3-[(4-Bromo-2-thienyl)methylenehydrazinocarbonyl]-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","12","o2342","o2344","10.1107/S1600536804026613","","","0.71073","MoKα","","0.0604","0.0483","","","0.1243","0.1281","","","","","","0.967","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204820","9.8626","0.0008","10.4697","0.0009","12.5629","0.0011","114.049","0.001","103.946","0.001","92.633","0.002","1134.39","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1'-Methyl-2''-phenylcyclohexane-1-spiro-4'-[acenapthene-1-spiro-2'- pyrrolidine-3'-spiro-4''-[1,3]oxazole]-2,5''-dione","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C58 H52 N4 O6 -","2","1","WN6300","S. Selvanayagam; D. Velmurugan; K. Ravikumar; J. Jayashankaran; R. Rathna Durga; R. Raghunathan","1'-Methyl-2''-phenylcyclohexane-1-spiro-4'-[acenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-4''(5''<i>H</i>)-[1,3]oxazole]-2,5''-dione","Acta Crystallographica Section E","2004","60","12","o2216","o2218","10.1107/S1600536804027503","","","0.71073","MoKα","","0.0498","0.0437","","","0.1267","0.1339","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204821","10.071","0.002","12.016","0.002","12.966","0.003","102.92","0.03","98.52","0.03","113.49","0.03","1352.3","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(N-Benzoyl-N-phenylhydroxlaminato-κ^2^O,O')oxo(salicylaldehyde isonicotinoylhydrazonato-κ^3^O,N,N')vanadium(IV) hexane hemisolvate","","- C29 H27 N4 O5 V -","- C29 H27 N4 O5 V -","- C58 H54 N8 O10 V2 -","2","1","WN6302","Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng","(<i>N</i>-Benzoyl-<i>N</i>-phenylhydroxaminato-κ^2^<i>O,O</i>')(salicylaldehyde isonicotinoylhydrazonato-κ^3^<i>O,N,N</i>')vanadium(IV) hexane hemisolvate","Acta Crystallographica Section E","2004","60","12","m1757","m1758","10.1107/S1600536804027497","","","0.71073","MoKα","","0.1083","0.0578","","","0.1241","0.141","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204822","10.553","0.012","8.948","0.01","30.84","0.03","90","","90","","90","","2912","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Chloro-10-(dimethoxymethyl)anthracene","","- C17 H15 Cl O2 -","- C17 H15 Cl O2 -","- C136 H120 Cl8 O16 -","8","1","WN6305","Wen-Bing Yuan; Lan Yan; Ru-Dong Yang","9-Chloro-10-(dimethoxymethyl)anthracene","Acta Crystallographica Section E","2004","60","12","o2447","o2448","10.1107/S1600536804030028","","","0.71073","MoKα","","0.1627","0.0713","","","0.1891","0.255","","","","","","0.952","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204823","10.455","0.0009","7.8954","0.0004","14.796","0.0012","90","","93.724","0.007","90","","1218.78","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-Chlorobenzoyl)-1,3-benzoxazol-2(3H)-one","","- C14 H8 Cl N O3 -","- C14 H8 Cl N O3 -","- C56 H32 Cl4 N4 O12 -","4","1","WN6306","Şamil Işık; Yavuz Köysal; Metin Yavuz; Merç Köksal; Hakkı Erdog̃an","5-(2-Chlorobenzoyl)-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2004","60","12","o2321","o2323","10.1107/S1600536804029162","","","0.71073","MoKα","","0.057","0.0417","","","0.117","0.1254","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204824","19.712","0.003","9.823","0.003","15.805","0.002","90","","90","","90","","3060.3","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","3-[2-Methoxy-5-(1-phenylethyl)phenyl]-2,5-diphenyl tetrahydro-4-isoxazolyl(2-thienyl)methanone","3-[2-Methoxy-5-(1-phenylethyl)phenyl]-2,5-diphenyl tetrahydro-4-isoxazolyl(2-thienyl)methanone","","- C36 H33 N O3 S -","- C36 H33 N O3 S -","- C144 H132 N4 O12 S4 -","4","1","WN6307","Sridharan, V.; Pon Saravanakumar, S.; Muthusubramanian, S.; Anitha, K.; Sridhar, B.","{3-[2-Methoxy-5-(1-methyl-1-phenylethyl)phenyl]-2,5-diphenyl-1,2,3,4-tetrahydro-4-isoxazol-4-yl}(2-thienyl)methanone","Acta Crystallographica Section E","2004","60","12","o2503","o2505","10.1107/S1600536804030296","","","0.71073","MoKα","","0.1105","0.0378","","","0.0828","0.1043","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204825","12.7169","0.0017","7.5317","0.0013","11.2959","0.0012","90","","93.381","0.012","90","","1080","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(p-Nitrophenylsulfonyl)-1H-pyrrole","","- C10 H8 N2 O4 S -","- C10 H8 N2 O4 S -","- C40 H32 N8 O16 S4 -","4","1","WN6310","Gültekin, Zeynep; Frey, Wolfgang; Hökelek, Tuncer","<i>N</i>-(<i>p</i>-Nitrophenylsulfonyl)-1<i>H</i>-pyrrole","Acta Crystallographica Section E","2004","60","12","o2488","o2490","10.1107/S1600536804030867","","","0.71073","MoKα","","0.0726","0.0534","","","0.1376","0.1525","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204826","8.248","0.003","10.097","0.003","14.786","0.005","79.404","0.005","74.292","0.005","75.089","0.004","1136.8","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,1-tris[(4-cyanophenoxy)methyl]ethane","","- C26 H21 N3 O3 -","- C26 H21 N3 O3 -","- C52 H42 N6 O6 -","2","1","WW6294","Wei Xu; Zhen-Guang Zou; Peng Guo; Yin-Xiang Lu","Conformational chirality of chemically symmetric molecules and a superlattice through enantioselective self-assembly: 1,1,1-tris[(4-cyanophenoxy)methyl]ethane","Acta Crystallographica Section E","2004","60","12","o2434","o2437","10.1107/S1600536804029939","","","0.71073","MoKα","","0.0625","0.0523","","","0.1264","0.1338","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204827","6.886","0.001","10.017","0.002","11.272","0.002","89.258","0.009","84.168","0.008","85.447","0.008","771","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","7-Chloro-2,2-dimethyl-3-(4-methylphenyl)-1,2-dihydroquinazolin-4(3H)-one","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C34 H34 Cl2 N4 O2 -","2","1","WW6303","Shi, Daqing; Shi, Chunling; Zhuang, Qiya; Zhang, Yong","7-Chloro-2,2-dimethyl-3-(4-methylphenyl)-1,2-dihydroquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2004","60","12","o2495","o2497","10.1107/S1600536804030661","","","0.7107","MoKα","","0.0774","0.0512","","","0.1203","0.1373","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204828","5.4595","0.0005","10.1947","0.0014","15.8862","0.0015","90","","93.979","0.008","90","","882.06","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,6-Dimethyl-4H-1-benzopyran-4-one","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","YA6220","Burcu Arslan; Canan Kazak; Hakan Göker","2,6-Dimethyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section E","2004","60","12","o2238","o2240","10.1107/S1600536804027989","","","0.71073","MoKα","","0.066","0.054","","","0.175","0.184","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204829","11.513","0.003","6.783","0.0017","12.176","0.003","90","","102.94","0.02","90","","926.7","0.4","293","2","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4-(Dimethylamino)pyridinium 2-butoxy-3-dicyanomethylene-4-oxocyclobut-1-en-1-olate","","- C18 H20 N4 O3 -","- C18 H20 N4 O3 -","- C36 H40 N8 O6 -","2","0.5","YA6225","Roman I. Zubatyuk; Vyacheslav N. Baumer; Anatoliy L. Tatarets; Leonid D. Patsenker; Oleg V. Shishkin","4-(Dimethylamino)pyridinium 2-butoxy-3-dicyanomethylene-4-oxocyclobut-1-en-1-olate","Acta Crystallographica Section E","2004","60","12","o2252","o2254","10.1107/S1600536804027965","","","0.71073","MoKα","","","0.04","","","","0.101","","","","","","0.82","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204830","8.743","0.001","17.0087","0.0019","16.3138","0.0017","90","","98.982","0.003","90","","2396.2","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(ethylenediamine-κ^2^N,N')zinc(II) bis(1,2-dicyanoethylenedithiolato-κ^2^S,S')nickelate(II)","","- C14 H24 N10 Ni S4 Zn -","- C14 H24 N10 Ni S4 Zn -","- C56 H96 N40 Ni4 S16 Zn4 -","4","0.5","YA6227","Ai-Yun Fu; Da-Qi Wang; Yu, Tao","Tris(ethylenediamine-κ^2^<i>N,N</i>')zinc(II) bis(1,2-dicyanoethylenedithiolato-κ^2^<i>S,S</i>')nickelate(II)","Acta Crystallographica Section E","2004","60","12","m1939","m1940","10.1107/S1600536804029629","","","0.71073","MoKα","","0.114","0.049","","","0.064","0.07","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204831","10.038","0.003","11.559","0.004","12.74","0.004","103.203","0.006","90.14","0.006","102.247","0.006","1404.4","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Isonicotinamide‒propionic acid (1:2)","Isonicotinamide‒propionic acid (1:2)","","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","- C48 H72 N8 O20 -","4","2","YA6228","Iain D.H. Oswald; W. D. Sam Motherwell; Simon Parsons","A 1:2 co-crystal of isonicotinamide and propionic acid","Acta Crystallographica Section E","2004","60","12","o2380","o2383","10.1107/S1600536804028776","","","0.71073","MoKα","","0.174","0.088","","","0.164","0.198","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2300002","2.7954","","6.3078","","10.6017","","90","","90","","90","","186.938","","","","","","","","","","","","","4","?P?","","","","","","- Ca0.816 Co0.28 Cu0.72 O2 -","","","4","","","Dominique Grebille; Sebastien Lambert; Francoise Bouree; Vaclav Petricek","Contribution of powder diffraction for structure refinements of aperiodic misfit cobalt oxides","Journal of Applied Crystallography","2004","37","5","823","831","10.1107/S0021889804018096","","neutron","1.2251","neutron","","0.0287","0.0269","","","0.0241","0.0243","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300003","5.7491","0.0008","6.4104","0.0009","12.1002","0.0017","93.56","0.012","95.542","0.012","114.013","0.011","402.91","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- H6 O9 P2 Sr -","- H2 O9 P2 Sr -","- H4 O18 P4 Sr2 -","2","1","","Bolte, Michael","<i>TWINLAW</i> and <i>HKLF</i>5: two programs for the handling of non-merohedral twins","Journal of Applied Crystallography","2004","37","1","162","165","10.1107/S0021889803027146","","","0.71073","MoKα","","0.0563","0.0539","","","0.152","0.1532","","","","","","1.096","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300020","13.2272","0.0007","8.1692","0.0005","14.892","0.0008","90","","109.164","0.001","90","","1520","0.2","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","gamma-HNIW, gamma-CL20","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","0.0411","","","0.1047","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300021","13.167","0.0003","8.1676","0.0001","14.8436","0.0001","90","","109.001","0.001","90","","1509.34","0.04","250","1","250","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","gamma-HNIW, gamma-CL20","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","0.0387","","","0.0985","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300022","13.1156","0.0007","8.1713","0.0004","14.8059","0.0008","90","","108.841","0.001","90","","1501.75","0.14","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","gamma-HNIW, gamma-CL20","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","0.0369","","","0.0932","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300023","13.0698","0.0004","8.1737","0.0003","14.7718","0.0005","90","","108.696","0.001","90","","1494.78","0.09","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","gamma-HNIW, gamma-CL20","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","0.0351","","","0.0894","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300024","13.0342","0.0003","8.1773","0.0002","14.7465","0.0002","90","","108.566","0.001","90","","1489.95","0.05","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","gamma-HNIW, gamma-CL20","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","0.034","","","0.088","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300025","8.8628","0.0011","12.5928","0.0016","13.3947","0.0017","90","","106.92","0.002","90","","1430.2","0.3","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300026","8.8408","0.0009","12.5622","0.0012","13.3577","0.0013","90","","106.82","0.002","90","","1420","0.2","250","1","250","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300027","8.8212","0.001","12.5368","0.0014","13.333","0.0015","90","","106.74","0.002","90","","1412","0.3","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300028","8.8004","0.001","12.4992","0.0014","13.2985","0.0015","90","","106.622","0.002","90","","1401.7","0.3","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300029","8.791","0.0018","12.481","0.003","13.285","0.003","90","","106.55","0.03","90","","1397.2","0.5","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","","","Journal of Applied Crystallography","2004","37","","791","797","10.1107/S0021889804017832","","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300041","9.955","0.006","9.955","0.006","9.955","0.006","90","","90","","90","","986.5","1","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag7 Cl O12 -","- Ag7 Cl O11.9 -","- Ag28 Cl4 O47.6 -","4","0.0208333","","","","Journal of Applied Crystallography","2004","37","","318","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2300042","3.9447","0.0006","13.028","0.002","5.6407","0.0009","90","","93.177","0.012","90","","289.44","0.08","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","acetic acid","","- C2 H4 O2 -","- C2 H4 O2 -","- C8 H16 O8 -","4","1","","Dawson, Alice; Allan, David R.; Parsons, Simon; Ruf, Michael","Use of a CCD diffractometer in crystal structure determinations at high pressure","Journal of Applied Crystallography","2004","37","3","410","416","10.1107/S0021889804007149","","","0.71073","MoKα","","0.0585","0.0379","","0.0892","0.0828","0.0892","","","","","","1.0384","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300046","24.30122","0.00017","20.57261","0.00014","4.86719","0.00003","90","","90","","90","","2433.3","0.03","293","","295","","","","","","","","","3","P 21 21 2","P 2 2ab","18","Gamma Sorbitol","","","- C6 H14 O6 -","- C6 H14 O6 -","- C72 H168 O72 -","12","3","","Rukiah, Mwaffak; Lefebvre, Jacques; Hernandez, Olivier; van Beek, Wouter; Serpelloni, Michel","Ab initiostructure determination of the Γ form of D-sorbitol (D-glucitol) by powder synchrotron X-ray diffraction","Journal of Applied Crystallography","2004","37","5","766","772","10.1107/s0021889804016206","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:47",""
"2300047","29.033","0.002","5.943","0.002","16.753","0.002","90","","90.562","0.007","90","","2890.5","1.1","296","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 Fe O -","- C18 H18 Fe O -","- C144 H144 Fe8 O8 -","8","2","","T. Koganezawa; K. Uno; H. Iwasaki; N. Nakamura; Y. Yoshimura; T. Shoji","A wide-bandpass multilayer monochromator and its application to the determination of absolute structure","Journal of Applied Crystallography","2004","37","1","136","142","10.1107/S002188980302630X","","","1.54178","CuKα","","","0.029","","","","0.066","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2300048","29.042","0.002","5.946","0.003","16.753","0.002","90","","90.587","0.008","90","","2892.8","1.5","296","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 Fe O -","- C18 H18 Fe O -","- C144 H144 Fe8 O8 -","8","2","","T. Koganezawa; K. Uno; H. Iwasaki; N. Nakamura; Y. Yoshimura; T. Shoji","A wide-bandpass multilayer monochromator and its application to the determination of absolute structure","Journal of Applied Crystallography","2004","37","1","136","142","10.1107/S002188980302630X","","","1.54178","CuKα","","","0.035","","","","0.077","","","","","","1.004","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2300051","10.8429","0.0007","10.8429","0.0007","31.607","0.003","90","0.005","90","0.005","120","0.005","3218.1","0.5","10","1","10","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Zn -","- C24 H48 B2 F8 N24 Zn -","- C72 H144 B6 F24 N72 Zn3 -","3","0.166667","","Hartmunt Spiering; Philipp Gutlich","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0263","0.0257","","0.0613","0.061","","","","1.091","1.101","1.101","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300052","10.881","0.002","10.881","0.002","31.48","0.008","90","0.005","90","0.005","120","0.005","3227.8","1.2","10","1","10","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C72 H144 B6 F24 Fe3 N72 -","3","0.166667","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0468","0.0323","","0.076","0.0722","","","","1.075","1.146","1.146","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300053","10.701","0.002","10.701","0.002","31.9","0.008","90","0.005","90","0.005","120","0.005","3163.5","1.2","10","1","10","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe N24 -","- C24 H48 B2 F8 Fe N24 -","- C72 H144 B6 F24 Fe3 N72 -","3","0.166667","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0446","0.0359","","0.0875","0.0851","","","","1.105","1.176","1.176","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300054","10.8575","0.0005","10.8575","0.0005","31.56","0.003","90","0.005","90","0.005","120","0.005","3222","0.4","10","1","10","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.46 N24 Zn0.54 -","- C24 H48 B2 F8 Fe0.46 N24 Zn0.54 -","- C72 H144 B6 F24 Fe1.38 N72 Zn1.62 -","3","0.166667","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0275","0.0269","","0.072","0.0716","","","","1.103","1.113","1.113","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300055","10.7719","0.0006","10.7719","0.0006","31.763","0.003","90","0.005","90","0.005","120","0.005","3191.8","0.4","10","1","10","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.46 N24 Zn0.54 -","- C24 H48 B2 F8 Fe0.46 N24 Zn0.54 -","- C72 H144 B6 F24 Fe1.38 N72 Zn1.62 -","3","0.166667","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","The deformation tensor ε of the spin transition in the mixed crystal [Fe~0.46~Zn~0.54~(ptz)~6~](BF~4~)~2~","Journal of Applied Crystallography","2004","37","4","589","595","10.1107/S0021889804011720","","","0.71073","MoKα","","0.0272","0.0266","","0.0697","0.0694","","","","1.061","1.068","1.068","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300059","20.2906","0.0004","6.9952","0.0001","20.1137","0.0004","90","","109.663","0.001","90","","2688.4","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C112 H88 Cl16 N8 O16 -","8","1","","Muangsin, Nongnuj; Prajuabsook, Malee; Chimsook, Pitiporn; Chantarasiri, Nuanphun; Siraleartmukul, Krisana; Chaichit, Narongsak; Hannongbua, Supot","Structure determination of diclofenac in a diclofenac-containing chitosan matrix using conventional X-ray powder diffraction data","Journal of Applied Crystallography","2004","37","2","288","294","10.1107/S0021889804002353","","","0.71073","MoKα","","0.0399","0.0338","","","0.0904","0.0942","","","","","","1.021","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300060","20.298","0.004","6.993","0.004","20.107","0.004","90","0.02","109.6","0.02","90","0.02","2688.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cl2 N O2 -","- C14 H7 Cl2 N O2 -","- C112 H56 Cl16 N8 O16 -","8","1","","Muangsin, Nongnuj; Prajuabsook, Malee; Chimsook, Pitiporn; Chantarasiri, Nuanphun; Siraleartmukul, Krisana; Chaichit, Narongsak; Hannongbua, Supot","Structure determination of diclofenac in a diclofenac-containing chitosan matrix using conventional X-ray powder diffraction data","Journal of Applied Crystallography","2004","37","2","288","294","10.1107/S0021889804002353","","","0.71073","MoKα","","0.0886","0.0596","","","0.1189","0.1349","","","","","","0.81","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300061","5.08493","0.00014","6.73631","0.00018","4.514","0.00012","90","","90","","90","","154.621","","4.2","","4.2","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300062","5.08524","0.00017","6.7362","0.0002","4.51431","0.00013","90","","90","","90","","154.638","","20","","20","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300063","5.08475","0.00016","6.7367","0.0002","4.51394","0.00013","90","","90","","90","","154.622","","40","","40","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300064","5.08442","0.00016","6.7376","0.0002","4.51384","0.00013","90","","90","","90","","154.63","0.008","60","","60","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300065","5.08429","0.00017","6.7387","0.0002","4.51363","0.00013","90","","90","","90","","154.644","0.008","80","","80","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300066","5.08412","0.00016","6.7404","0.0002","4.51364","0.00013","90","","90","","90","","154.678","0.008","100","","100","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300067","5.08394","0.00017","6.7418","0.0002","4.51359","0.00013","90","","90","","90","","154.703","0.008","120","","120","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300068","5.08396","0.00016","6.7433","0.0002","4.51368","0.00013","90","","90","","90","","154.741","0.008","140","","140","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300069","5.08416","0.00017","6.7453","0.0002","4.51394","0.00013","90","","90","","90","","154.802","0.008","160","","160","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300070","5.084","0.00017","6.7469","0.0002","4.51405","0.00013","90","","90","","90","","154.838","0.008","180","","180","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300071","5.08411","0.00016","6.7483","0.0002","4.51457","0.00013","90","","90","","90","","154.891","0.008","200","","200","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300072","5.08426","0.00017","6.7498","0.0002","4.51509","0.00013","90","","90","","90","","154.948","0.008","220","","220","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300073","5.0843","0.00017","6.7513","0.0002","4.51556","0.00013","90","","90","","90","","154.999","0.008","240","","240","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300074","5.0842","0.00017","6.753","0.0002","4.51621","0.00013","90","","90","","90","","155.058","0.008","260","","260","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300075","5.08398","0.00016","6.7547","0.0002","4.5165","0.00013","90","","90","","90","","155.1","0.008","280","","280","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300076","5.08395","0.00017","6.7558","0.0002","4.51728","0.00013","90","","90","","90","","155.151","0.008","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300077","5.08369","0.00016","6.7574","0.0002","4.51789","0.00013","90","","90","","90","","155.201","0.008","320","","320","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300078","5.0837","0.00017","6.7589","0.0002","4.51839","0.00014","90","","90","","90","","155.253","0.008","340","","340","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300079","5.08334","0.00016","6.7599","0.0002","4.51926","0.00013","90","","90","","90","","155.295","0.008","360","","360","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300080","5.08324","0.00017","6.7615","0.0002","4.51937","0.00014","90","","90","","90","","155.332","0.008","380","","380","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300081","5.08247","0.00017","6.7626","0.0002","4.52013","0.00014","90","","90","","90","","155.36","0.008","400","","400","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300082","5.08223","0.00017","6.7638","0.0002","4.52058","0.00014","90","","90","","90","","155.396","0.008","420","","420","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300083","5.08134","0.00017","6.7655","0.0002","4.52039","0.00014","90","","90","","90","","155.401","0.008","440","","440","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300084","5.08071","0.00017","6.767","0.0002","4.52047","0.00014","90","","90","","90","","155.419","0.008","460","","460","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300085","5.08104","0.00017","6.7689","0.0002","4.52139","0.00014","90","","90","","90","","155.504","0.008","480","","480","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300086","5.08233","0.00017","6.7704","0.0002","4.52219","0.00014","90","","90","","90","","155.606","0.008","500","","500","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300087","5.08326","0.00017","6.7732","0.0002","4.52326","0.00014","90","","90","","90","","155.736","0.008","520","","520","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300088","5.08468","0.00016","6.7749","0.0002","4.52433","0.00013","90","","90","","90","","155.855","0.008","540","","540","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300089","5.08644","0.00016","6.7772","0.0002","4.52559","0.00013","90","","90","","90","","156.005","0.008","560","","560","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300090","5.08801","0.00016","6.7791","0.0002","4.52694","0.00013","90","","90","","90","","156.144","0.008","580","","580","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300091","5.0899","0.00016","6.781","0.0002","4.52797","0.00013","90","","90","","90","","156.281","0.008","600","","600","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John","Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction","Journal of Applied Crystallography","2004","37","1","82","90","10.1107/S0021889803024695","","","","","","","","","","","","","","","","","","","","","has coordinates","282477","2023-04-06","11:50:26",""
"2300092","6.6298","0.0002","8.9515","0.0002","7.3502","0.0001","90","","113.792","0.001","90","","399.139","0.016","170","3","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al Ca O5 Ta -","- Al Ca O5 Ta -","- Al4 Ca4 O20 Ta4 -","4","1","","Malcherek, Thomas; Borowski, Markus; Bosenick, Anne","Structure and phase transitions of CaTaOAlO~4~","Journal of Applied Crystallography","2004","37","1","117","122","10.1107/S002188980302689X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300100","24.8727","0.0006","5.80729","0.00017","8.7615","0.0003","90","","100.062","0.0017","90","","1246.07","0.07","150","0.5","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","meta-toluidine","","","- C7 H9 N -","- C7 H9 N -","- C56 H72 N8 -","8","2","","Lefebvre, Jacques; Descamps, Marc; Hemon, Stephanie; Dzyabchenko, Alexander","Ab initio structure determination of meta-toluidine by powder X-ray diffraction","Journal of Applied Crystallography","2004","37","","464","471","10.1107/S0021889804006478","","","","","","","","","","","","","","","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300101","5.11635","0.0001","5.11635","0.0001","8.3673","0.0002","90","","90","","120","","189.687","0.007","297","","297","","","","","","","","","4","P 63 2 2","P 6c 2c","182","strontium europium aluminate","strontium europium aluminate","","- Al2 Eu0.136 O4 Sr0.864 -","- Al2 Eu0.136 O3.999 Sr0.864 -","- Al4 Eu0.272 O7.998 Sr1.728 -","2","0.166667","","Chao-Nan, Xu; Wen-Sheng Shi","Observation of orientational disorder in the hexagonal stuffed tridymite Sr~0.864~Eu~0.136~Al~2~O~4~ by the maximum-entropy method","Journal of Applied Crystallography","2004","37","5","698","702","10.1107/S002188980401430X","","","0.77571","","","","","","","","","","","1.8","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2300103","20.695","0.007","8.054","0.002","15.157","0.004","90","","112.09","0.002","90","","2340.9","1.2","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cu N8 O6 S2 -","- C18 H22 Cu N8 O6 S2 -","- C72 H88 Cu4 N32 O24 S8 -","4","1","","García-Cuesta, M. C.; Lozano, A. M.; Meléndez-Martínez, J. J.; Luna-Giles, F.; Ortiz, A. L.; González-Méndez, L. M.; Cumbrera, F. L.","Structure determination of nitrato-κ<i>O</i>-bis[2-(2-pyridyl-κ<i>N</i>)amino-5,6-dihydro-4<i>H</i>-1,3-thiazine-κ<i>N</i>]copper(II) nitrate <i>via</i> molecular modelling coupled with X-ray powder diffractometry","Journal of Applied Crystallography","2004","37","6","993","999","10.1107/S0021889804024653","","","1.54183","CuKα","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300389","8.5627","0.0002","10.4508","0.0006","35.5429","0.0017","90","","94.294","0.003","90","","3171.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O6 Pd S3 -","- C33 H33 N3 O6 Pd S3 -","- C132 H132 N12 O24 Pd4 S12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.","Focusing optics for molybdenum radiation: a bright laboratory source for small-molecule crystallography","Journal of Applied Crystallography","2004","37","6","988","","10.1107/S0021889804025166","","","0.71073","MoKα","","0.0461","0.0388","","","0.0982","0.1104","","","","","","1.811","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300390","8.5467","0.0004","10.4343","0.0006","35.4794","0.0017","90","","94.325","0.003","90","","3155","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O6 Pd S3 -","- C33 H33 N3 O6 Pd S3 -","- C132 H132 N12 O24 Pd4 S12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.","Focusing optics for molybdenum radiation: a bright laboratory source for small-molecule crystallography","Journal of Applied Crystallography","2004","37","6","988","","10.1107/S0021889804025166","","","0.71073","MoKα","","0.1382","0.0598","","","0.0919","0.1098","","","","","","0.978","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300545","6.69648","","8.97659","","7.36705","","90","","114.139","","90","","404.121","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ca (Ta O) (Al O4)","","- Al Ca O5 Ta -","- Al Ca O5 Ta -","- Al4 Ca4 O20 Ta4 -","4","0.5","","Malcherek, T.; Borowski, M.; Bosenick, A.","Structure and phase transition of Ca Ta O Al O4","Journal of Applied Crystallography","2004","37","","117","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310631","9.0509","","5.6381","","7.3582","","90","","90","","90","","375.488","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Bahariyaite","- K Mn O4 -","- K Mn O4 -","- K4 Mn4 O16 -","4","0.5","","Marabello, D.; Bianchi, R.; Cargnoni, F.; Gervasio, G.","An experimental (120 K) and theoretical electron-density study of KMnO~4~ and KClO~4~","Acta Crystallographica Section A","2004","60","5","494","501","10.1107/S0108767304015260","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2310711","5.45","","5.45","","5.45","","90","","90","","90","","161.879","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","U4 O8.94","","- O8.94 U4 -","- O8.944 U4 -","- O8.944 U4 -","1","0.0104167","","Cooper, R. I.; Willis, B. T. M.","Refinement of the structure of β-U~4~O~9~","Acta Crystallographica Section A","2004","60","4","322","325","10.1107/S010876730401219X","","","","","","","","","","","","","","","","","","","","","has coordinates","174946","2020-10-21","18:00:00",""
"2310712","21.805","","21.805","","21.805","","90","","90","","90","","10367.4","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","U4 O8.938","","- O8.938 U4 -","- O8.9375 U4 -","- O572 U256 -","64","1.33333","","Cooper, R. I.; Willis, B. T. M.","Refinement of the structure of β-U~4~O~9~","Acta Crystallographica Section A","2004","60","4","322","325","10.1107/S010876730401219X","","","","","","","","","","","","","","","","","","","","","has coordinates","174946","2020-10-21","18:00:00",""
"2310713","25.56","","3.44","","19.7","","90","","122.7","","90","","1457.62","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti8 Se3","","- Se3 Ti8 -","- Se3 Ti8 -","- Se24 Ti64 -","8","1","","Weirich, T. E.","First-principles calculations as a tool for structure validation in electron crystallography","Acta Crystallographica Section A","2004","60","1","75","81","10.1107/S0108767303025042","","","","","","","","","","","","","","","","","","","","","has coordinates","174947","2020-10-21","18:00:00",""
"2310714","25.51","","3.43","","19.19","","90","","117.9","","90","","1483.94","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti11 Se4","","- Se4 Ti11 -","- Se4 Ti11 -","- Se24 Ti66 -","6","0.75","","Weirich, T. E.","First-principles calculations as a tool for structure validation in electron crystallography","Acta Crystallographica Section A","2004","60","1","75","81","10.1107/S0108767303025042","","","","","","","","","","","","","","","","","","","","","has coordinates","174947","2020-10-21","18:00:00",""
"2310715","36.31","","3.45","","16.59","","90","","92.1","","90","","2076.82","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti45 Se16","","- Se16 Ti45 -","- Se16 Ti45 -","- Se32 Ti90 -","2","0.25","","Weirich, T. E.","First-principles calculations as a tool for structure validation in electron crystallography","Acta Crystallographica Section A","2004","60","1","75","81","10.1107/S0108767303025042","","","","","","","","","","","","","","","","","","","","","has coordinates","174947","2020-10-21","18:00:00",""
"4000346","7.2778","0.0012","8.4129","0.0014","52.322","0.008","90.188","0.003","92.688","0.004","108.799","0.003","3028.8","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H37 Cl N2 O -","- C18 H35 Cl N1.99867 O -","- C108 H210 Cl6 N11.992 O6 -","6","3","","","","Chemistry of Materials","2004","","","","","10.1021/cm034344a","","","0.71073","MoKα","","0.1587","0.0793","","","0.1981","0.2579","","","","","","0.909","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000347","5.317","0.003","7.694","0.005","24.809","0.015","92.633","0.01","94.194","0.011","101.821","0.011","988.8","1.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H37 Cl N2 O -","- C18 H37 Cl N2 O -","- C36 H74 Cl2 N4 O2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034344a","","","0.71073","MoKα","","0.0731","0.0466","","","0.1112","0.1392","","","","","","0.98","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000348","5.3009","0.0002","24.0823","0.001","13.0444","0.0006","90","","90.3582","0.0016","90","","1665.19","0.12","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","E,E-2,5-Bis[2-hydroxyethoxy]-1,4- bis[2-(3,4,5-trimethoxyphenyl)ethoxy]benzene","","","- C34 H44 O11 S -","- C34 H44 O11 S -","- C68 H88 O22 S2 -","2","0.5","","","E,E-2,5-Bis[2-hydroxyethoxy]-1,4- bis[2-(3,4,5-trimethoxyphenyl)ethoxy]benzene","Chemistry of Materials","2004","","","","","10.1021/cm034708z","","","0.71073","MoKα","","0.06","0.0498","","","0.1126","0.1183","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000349","11.08476","0.00023","8.44413","0.00018","9.44187","0.00014","90","","104.537","0.0014","90","","855.475","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 Ga N0.5 O7 P2 -","- C3.5 Ga N0.5 O7 P2 -","- C14 Ga4 N2 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034745q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000350","22.1628","0.0008","8.57244","0.00018","9.44553","0.00016","90","","95.4863","0.003","90","","1786.33","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 Ga2 N O14 P4 -","- C6 Ga2 N O14 P4 -","- C24 Ga8 N4 O56 P16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm034745q","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000351","9.5721","0.0007","8.614","0.0006","12.894","0.001","90","","99.961","0.003","90","","1047.1","0.1","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Ga N O7 P2 -","- C6 H10 Ga N O7 P2 -","- C24 H40 Ga4 N4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034745q","","x-ray","0.71073","MoKα","","0.1129","0.07","","","0.1762","0.1897","","","","","","1.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000352","5.7081","0.0007","7.6036","0.0003","52.869","0.007","90","","97.147","0.006","90","","2276.8","0.4","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 S2 -","- C32 H22 S2 -","- C128 H88 S8 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","1.5418","CuKα","","","0.0646","","","","0.0796","","","","","","1.408","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000353","7.5262","0.0009","5.7856","0.0007","59.997","0.007","90","","92.818","0.006","90","","2609.3","0.5","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 S3 -","- C36 H24 S3 -","- C144 H96 S12 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","1.5418","CuKα","","","0.0711","","","","0.0958","","","","","","2.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000354","5.6824","0.0007","7.585","0.0005","67.907","0.006","90","","91.475","0.005","90","","2925.9","0.5","273.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 S4 -","- C40 H26 S4 -","- C160 H104 S16 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","1.5418","CuKα","","","0.0604","","","","0.0873","","","","","","1.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000355","5.98","0.002","7.828","0.001","61.88","0.02","90","","92.35","0.01","90","","2894","1","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 S6 -","- C36 H22 S6 -","- C144 H88 S24 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","1.5418","CuKα","","","0.0862","","","","0.1202","","","","","","2.281","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000356","7.2688","0.0003","11.7627","0.0004","15.8656","0.0007","90","","92.2424","0.0012","90","","1355.48","0.09","120","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N4 O3 -","- C12 H18 N4 O3 -","- C48 H72 N16 O12 -","4","1","","V. Enkelmann","Imi-2","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0517","","","","0.0559","","","","","","1.1035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000357","11.8366","0.0003","25.055","0.001","13.3242","0.0003","90","","102.942","0.001","90","","3851.08","0.0003","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N5 O10 -","- C15 H19 N5 O10 -","- C120 H152 N40 O80 -","8","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0746","","","","0.0723","","","","","","0.9826","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000358","8.4815","0.0006","10.3948","0.0007","13.2348","0.0009","108.763","0.006","97.664","0.006","90.375","0.006","1093.43","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 In N3 O3 -","- C27 H18 In N3 O3 -","- C54 H36 In2 N6 O6 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034709r","single crystal","","0.7107","MoKα","","0.0525","0.0457","","","0.1156","0.1259","","","","","","1.05","","","","has coordinates","158826","2020-10-21","18:00:00",""
"4000361","7.4459","0.0001","9.216","0.0001","9.3199","0.0002","90","","104.281","0.001","90","","619.78","0.02","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H2 K0.5 O7.5 P1.5 V Zn0.5 -","- K0.5 O7.5 P1.5 V Zn0.5 -","- K2 O30 P6 V4 Zn2 -","4","1","","","Crystal structures and magnetic properties of the new alkaline zinc oxovanadium phosphates MZn(H2O)(VO)2(PO4)2(H2PO4) with M = K+, Rb+ and Cs+.","Chemistry of Materials","2004","","","","","10.1021/cm031090k","","","0.71073","MoKα","","0.0636","0.0475","","","0.0926","0.0946","","","","","","2.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000362","10.8586","0.0002","9.1973","0.0002","13.1673","0.0003","90","","103.501","0.001","90","","1278.68","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H4 O15 P3 Rb V2 Zn -","- O15 P3 Rb V2 Zn -","- O60 P12 Rb4 V8 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm031090k","","","0.71073","MoKα","","0.0721","0.0468","","","0.0929","0.0963","","","","","","1.661","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000363","7.5159","0.0001","9.1994","0.0001","9.5465","0.0002","90","","99.912","0.001","90","","650.21","0.02","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Cs0.5 H2 O7.5 P1.5 V Zn0.5 -","- Cs0.5 O7.5 P1.5 V Zn0.5 -","- Cs2 O30 P6 V4 Zn2 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm031090k","","","0.71073","MoKα","","0.0565","0.0491","","","0.1064","0.1082","","","","","","2.477","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000364","15.1898","0.0011","10.0913","0.0008","40.111","0.003","90","","91.345","0.002","90","","6146.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis[(N-docdecyl)imidazolium]tetrachloropalladate(II)","","- C54 H106 Cl4 N4 Pd -","- C54 H106 Cl4 N4 Pd -","- C216 H424 Cl16 N16 Pd4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030296i","","","0.71073","MoKα","","0.1028","0.0865","","","0.2096","0.2288","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000365","83.357","0.003","8.5867","0.0003","16.8486","0.0004","90","","97.468","0.001","90","","11957.2","0.7","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(C12H25)2-im]2[CuCl4]H2O","bis[(N-docdecyl)imidazolium]tetrachlorocuprate(II)","","- C54 H108 Cl4 Cu N4 O -","- C54 H108 Cl4 Cu N4 O -","- C432 H864 Cl32 Cu8 N32 O8 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm030296i","","","0.71073","MoKα","","0.081","0.055","","0.1395","0.1277","","","","1.055","1.112","1.112","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000366","13.4487","0.0002","17.921","0.0002","19.9026","0.0003","90","","90.9833","0.0007","90","","4796.1","0.11","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 F2 N4 O42 P6 U6 -","- C12 H44 F2 N4 O42 P6 U6 -","- C48 H176 F8 N16 O168 P24 U24 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0350838","","","0.71073","MoKα","","0.051","0.0399","","0.1045","0.0988","0.0988","","","","","","0.8746","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000367","12.156","0.003","13.96","0.004","14.258","0.004","90","","90","","90","","2419.6","1.1","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C2.5 H10 Ge4.5 N2.5 O11 -","- C2.5 H9 Ge4.5 N2.5 O11 -","- C20 H72 Ge36 N20 O88 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0346879","","","0.71073","MoKα","","0.0416","0.0392","","","0.0973","0.0987","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000368","9.5645","0.0002","16.1754","0.0002","29.7612","0.0007","90","","90.421","0.001","90","","4604.2","0.2","151","2","151","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H78 Mo2 N4 O8 Si2 -","- C32 H78 Mo2 N4 O8 Si2 -","- C128 H312 Mo8 N16 O32 Si8 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0565","0.0352","","0.0877","0.0818","","","","0.958","1.074","1.074","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000369","12.7732","0.0005","12.4173","0.0005","17.3864","0.0007","90","","102.3","","90","","2694.3","0.2","293","2","154","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H90 Mo2 O12 Si2 -","- C40 H90 Mo2 O12 Si2 -","- C80 H180 Mo4 O24 Si4 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0518","0.0333","","0.0828","0.0785","","","","0.931","1.06","1.06","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000370","15.6091","0.0002","13.3064","0.0003","19.4502","0.0004","90","","93.721","0.001","90","","4031.31","0.13","293","2","145","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H132 B2 Mo2 N4 O18 Si4 -","- C56 H132 B2 Mo2 N4 O18 Si4 -","- C112 H264 B4 Mo4 N8 O36 Si8 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0727","0.0381","","0.1165","0.0861","","","","1.008","0.911","0.911","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000371","10.6499","0.0002","19.0944","0.0005","15.0019","0.0003","90","","105.227","0.001","90","","2943.59","0.11","146","2","146","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H90 Mo2 N2 O16 P4 -","- C42 H90 Mo2 N2 O16 P4 -","- C84 H180 Mo4 N4 O32 P8 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0812","0.0461","","0.1127","0.1041","","","","0.909","1.07","1.07","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000372","15.6706","0.0001","16.8518","0.0003","24.3821","0.0003","90","","90","","90","","6438.77","0.15","142","2","142","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C41 H96 Mo2 N2 O16 P4 -","- C41.04 H84 Mo2 N2 O16 P4 -","- C164.16 H336 Mo8 N8 O64 P16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0708","0.0384","","0.1103","0.1018","","","","1.014","1.159","1.159","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000373","15.7641","0.0013","20.947","0.002","10.0739","0.0008","90","","106.907","0.002","90","","3182.8","0.4","129","2","129","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C44 H102 Mo2 N2 O16 P2 Si2 -","- C44 H102 Mo2 N2 O16 P2 Si2 -","- C88 H204 Mo4 N4 O32 P4 Si4 -","2","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0661","0.0437","","0.1103","0.1027","","","","0.974","1.051","1.051","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000374","12.714","0.006","21.769","0.009","24.999","0.011","81.542","0.007","76.19","0.007","88.013","0.008","6645.6","4.9","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.5 H108 Mo2 N2 O16 P2 Si2 -","- C46.5 H94.5 Mo2 N2 O16 P2 Si2 -","- C186 H378 Mo8 N8 O64 P8 Si8 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.192","0.0586","","0.1373","0.1066","","","","0.805","1.087","1.087","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000375","13.3363","0.0002","14.4157","0.0001","24.8246","0.0001","94.539","0.001","92.367","0.001","93.16","","4745.37","0.08","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H156 B2 Mo2 N2 O26 P2 Si4 -","- C68 H156 B2 Mo2 N2 O26 P2 Si4 -","- C136 H312 B4 Mo4 N4 O52 P4 Si8 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0947","0.047","","0.1221","0.1067","","","","0.903","1.062","1.062","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4000376","16.0068","0.0015","14.5129","0.0008","7.0231","0.0005","90","","90","","90","","1631.5","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sodium Vanadyl Phosphate","Sodium Vanadium Oxide Phosphate","","- Na4 O9 P2 V -","- Na4 O9 P2 V -","- Na32 O72 P16 V8 -","8","1","","Rodion V. Panin; Roman V. Shpanchenko; Andrey V. Mironov; Yuri A. Velikodny; Evgeny V. Antipov; Joke Hadermann; Vasily A. Tarnopolsky; Andrey B. Yaroslavtsev","Crystal Structure, Polymorphism and Properties of the New Vanadylphosphate Na4VO(PO4)2","Chemistry of Materials","2004","","","","","10.1021/cm0351543","","","0.71069","MoKα","","0.0294","0.0294","","","0.0405","0.0405","","","","1.71","1.71","1.71","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000377","12.8307","0.0013","7.3349","0.0008","13.319","0.0014","90","","98.724","0.002","90","","1239","0.2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C3 H5 F1.5 Fe0.75 N O2.27 S0.5 -","- C3 H5 F1.5 Fe0.75 N O2.273 S0.5 -","- C24 H40 F12 Fe6 N8 O18.184 S4 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035304+","","","0.71073","MoKα","","0.0336","0.027","","0.0856","0.0837","","","","1.12","1.154","1.154","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000378","8.5539","0.0004","8.6099","0.0004","11.9825","0.0005","90","","90.002","0.007","90","","882.495","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Li2.5 O12 P3 V2 -","- Li2.5 O12 P3 V2 -","- Li10 O48 P12 V8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034802f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000379","8.45678","","8.62076","","11.89577","","90","","90.2366","","90","","867.24","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Li2 O12 P3 V2 -","- Li2 O12 P3 V2 -","- Li8 O48 P12 V8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034802f","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000380","3.9919","0.0007","17.836","0.003","13.888","0.002","90","","95.901","0.007","90","","983.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N3 S4 -","- C7 H6 N3 S4 -","- C28 H24 N12 S16 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035191u","","","1.54178","CuKα","","0.1181","0.0685","","","0.1549","0.1692","","","","","","0.915","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000381","16.182","0.003","16.182","0.003","4.2947","0.0012","90","","90","","120","","974","0.4","298","2","298","2","","","","","","","","4","P 31 2 1","P 31 2""","152","PhBPMe","4-Methyl-4-phenyl-bis[1,2,3]dithiazolo[4,5-b:5',4'-e]pyridin-yl","","- C12 H8 N3 S4 -","- C12 H8 N3 S4 -","- C36 H24 N9 S12 -","3","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm035191u","","","0.71073","MoKα","","0.0631","0.0363","","","0.0725","0.08","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000382","10.8341","0.0003","10.2769","0.0003","13.0558","0.0004","90","","103.076","0.0009","90","","1415.95","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Mn N9 -","- C12 H11 Mn N9 -","- C48 H44 Mn4 N36 -","4","1","","","New two-dimensional manganese(II)-azido polymers with bidentate coligands: structure and magnetic properties","Chemistry of Materials","2004","","","","","10.1021/cm0351590","","","0.71073","MoKα","","0.0977","0.0378","","","0.0717","0.0863","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000383","11.3","0.002","10.077","0.002","10.122","0.002","90","","109.22","0.03","90","","1088.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Mn N9 O -","- C6 H7 Mn N9 O -","- C24 H28 Mn4 N36 O4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0351590","","","0.71073","MoKα","","0.0589","0.0268","","","0.0483","0.052","","","","","","0.822","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000384","6.976","0.0002","8.102","0.0003","12.7442","0.0005","90","","90","","90","","720.3","0.04","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","Methylammonium Lithium Pyrofluoroberyllate","","","- C H6 Be2 F7 Li2 N -","- C H6 Be2 F7 Li2 N -","- C4 H24 Be8 F28 Li8 N4 -","4","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm035316v","","","0.71073","MoKα","","0.0267","0.024","","","0.061","0.0623","","","","","","1.078","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000385","9.842","0.002","12.221","0.002","10.025","0.002","90","","90","","90","","1205.8","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Ammonium Lithium Pyrofluoroberyllate","","","- Be2 F7 H4 Li2 N -","- Be2 F7 H4 Li2 N -","- Be16 F56 H32 Li16 N8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm035316v","","","0.71073","MoKα","","0.0724","0.0408","","","0.0836","0.0955","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000386","10.045","0.0004","12.337","0.0005","4.93214","0.0002","90","","90","","90","","611.22","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Be2 F7 H4 Li2 N -","- Be8 F28 H16 Li8 N4 -","- Be8 F28 H16 Li8 N4 -","","","","Gerrard; Lee A.; Weller; Mark T.","Li2Be2F7NH4 RT Polaris Neutron Data","Chemistry of Materials","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000387","10.024","0.002","12.288","0.003","4.9371","0.0007","90","","90","","90","","608.1","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ammonium Lithium Pyrofluoroberyllate","","","- Be2 F7 H4 Li2 N -","- Be2 F7 H4 Li2 N -","- Be8 F28 H16 Li8 N4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm035316v","","","0.71073","MoKα","","0.1493","0.0463","","","0.0819","0.1076","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000388","21.7158","0.0009","21.7158","0.0009","12.4479","0.0007","90","","90","","120","","5083.7","0.4","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- In Na5 O12 Si4 -","- In Na4.99667 O12 Si4 -","- In18 Na89.94 O216 Si72 -","18","0.5","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","0.0461","0.0446","","","0.0837","0.0841","","","","","","1.537","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000389","11.1447","0.0005","14.6246","0.0006","17.5317","0.0008","89.129","0.001","83.068","0.001","83.56","0.001","2818.6","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H104 Ce2 O8 -","- C48 H104 Ce2 O8 -","- C96 H208 Ce4 O16 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035392y","","","0.71073","MoKα","","0.0456","0.0264","","","0.0654","0.0746","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000390","39.8617","0.0024","10.5075","0.0006","20.5428","0.0012","90","","95.758","0.001","90","","8560.9","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H72 Ce N4 O4 -","- C38 H72 Ce N4 O4 -","- C304 H576 Ce8 N32 O32 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035392y","","","0.71073","MoKα","","0.0489","0.0298","","","0.0689","0.0823","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000391","15.386","0.002","13.138","0.001","27.386","0.003","90","","104.32","0.01","90","","5363.8","1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H86 Ce2 O11 -","- C44.99 H70 Ce2 O11 -","- C179.96 H280 Ce8 O44 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035392y","","","0.71073","MoKα","","0.0511","0.0379","","","0.1024","0.1151","","","","","","1.046","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000392","11.681","0.003","13.303","0.003","13.344","0.003","61.103","0.004","68.788","0.004","74.871","0.005","1682.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","lj28a","","","- C44 H34 N4 Si -","- C44 H34 N4 Si -","- C88 H68 N8 Si2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035379d","","","0.71073","MoKα","","0.2172","0.0604","","","0.0715","0.0914","","","","","","0.716","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000393","9.804","0.003","10.381","0.003","20.723","0.006","81.055","0.005","87.709","0.006","75.893","0.006","2020.5","1","297","2","297","2","","","","","","","","4","P -1","-P 1","2","j38a","","","- C50 H42 N6 Si -","- C49.96 H32 N5.99 Si -","- C99.92 H64 N11.98 Si2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035379d","","","0.71073","MoKα","","0.2767","0.0644","","","0.0964","0.1289","","","","","","0.7","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000394","12.702","0.003","14.933","0.004","20.219","0.004","102.594","0.005","105.874","0.005","103.861","0.005","3412.2","1.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.6 H23.2 F4.8 N2.4 O4 Si0.4 Zn0.8 -","- C27 H20 F4.8 N2.4 O4 Si0.4 Zn0.8 -","- C135 H100 F24 N12 O20 Si2 Zn4 -","5","2.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm035379d","","","0.71073","MoKα","","0.2176","0.0662","","","0.1083","0.1369","","","","","","0.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000395","14.8651","0.0014","7.5694","0.0007","22.796","0.002","90","","106.833","0.001","90","","2455.1","0.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H62 Co3 N6 O31 P4 -","- C28 H32 Co3 N6 O31 P4 -","- C56 H64 Co6 N12 O62 P8 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0498990","","","0.71073","MoKα","","0.121","0.0625","","","0.1342","0.1636","","","","","","1.04","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000396","14.3635","0.0008","12.0029","0.0006","16.9974","0.0009","90","","113.381","0.001","90","","2689.8","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H46 N6 O25 P4 Zn5 -","- C28 H24 N6 O25 P4 Zn5 -","- C56 H48 N12 O50 P8 Zn10 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0498990","","","0.71073","MoKα","","0.0811","0.0565","","","0.1402","0.1592","","","","","","1.08","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000397","8.23","0.001","9.655","0.001","4.9093","0.0008","90","","90","","90","","390.1","0.09","293","2","293","2","","","","","","","","5","I m m 2","I 2 -2","44","Ba sialon","","","- Al Ba N7 O2 Si5 -","- Al Ba N7 O2 Si5 -","- Al2 Ba2 N14 O4 Si10 -","2","0.25","","Esmaeilzadeh, Saeid; Grins, Jekabs; Shen, Zhijian; Edén, Mattias; Thiaux, Marie","Study of Sialon S-phases M~2~Al~x~Si~12-x~N~16-x~O~2+x~, M = Ba and Ba~0.9~Eu~0.1~, by X-ray Single Crystal Diffraction, X-ray Powder Diffraction, and Solid-State Nuclear Magnetic Resonance","Chemistry of Materials","2004","16","11","2113","2120","10.1021/cm031129l","","","0.71073","MoKα","","0.0351","0.0349","","","0.0952","0.0954","","","","","","1.138","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000398","5.77544","0.00005","5.77544","","7.08762","0.0001","90","","90","","120","","204.739","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Mg Nb2 O9 -","- Ba3 Mg Nb2 O9 -","- Ba3 Mg Nb2 O9 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000399","4.08704","","4.08704","","4.08704","","90","","90","","90","","68.2696","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ba Mg0.33 Nb0.67 O3 -","- Ba Mg0.33333 Nb0.66667 O3 -","- Ba Mg0.33333 Nb0.66667 O3 -","1","0.0208333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000400","5.77385","0.00005","5.77385","","7.09376","0.00008","90","","90","","120","","204.803","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Mg O9 Ta2 -","- Ba3 Mg O9 Ta2 -","- Ba3 Mg O9 Ta2 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000401","5.75496","0.00006","5.75496","","7.06695","0.00009","90","","90","","120","","202.697","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.666667 Ni0.333333 O3 -","- Ba3 Nb2 Ni O9 -","3","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000402","5.75513","0.00008","5.75513","","7.0748","0.00012","90","","90","","120","","202.934","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Ni O9 Ta2 -","- Ba3 Ni O9 Ta2 -","- Ba3 Ni O9 Ta2 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000403","5.78207","0.00006","5.78207","","7.09731","0.00011","90","","90","","120","","205.49","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba Nb0.67 O3 Zn0.33 -","- Ba Nb0.667333 O3 Zn0.332667 -","- Ba3 Nb2.002 O9 Zn0.998 -","3","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000404","12.057","0.002","16.583","0.003","8.639","0.0016","90","","90","","90","","1727.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- Se5 Sn Sr2 -","- Se5 Sn Sr2 -","- Se40 Sn8 Sr16 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0499242","","","0.71073","MoKα","","0.0571","0.0424","","","0.0821","0.0873","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000405","21.7601","0.0014","21.8585","0.0015","13.406","0.0009","90","","90","","90","","6376.5","0.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Mg Se4 Sn Sr -","- Mg Se4 Sn Sr -","- Mg32 Se128 Sn32 Sr32 -","32","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0499242","","","0.71073","MoKα","","0.0484","0.0301","","","0.0694","0.0739","","","","","","1.155","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000406","21.8916","0.0012","21.8933","0.0012","13.547","0.0007","90","","90","","90","","6492.8","0.6","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- Se4 Sn2 Sr -","- Se4 Sn2 Sr -","- Se128 Sn64 Sr32 -","32","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0499242","","","0.71073","MoKα","","0.0467","0.0331","","","0.0992","0.1044","","","","","","1.308","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000407","6.634","0.001","9.783","0.003","12.926","0.003","87.2","0.02","79","0.02","81.55","0.02","814.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.15 Cl0.85 I0.5 S8 -","- C10 H8 Br0.15 Cl0.85 I0.5 S7.995 -","- C20 H16 Br0.3 Cl1.7 I S15.99 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034866q","","","0.7107","MoKα","","0.0322","0.025","","0.0695","0.0592","","","","1.067","1.109","1.109","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000408","5.757","0.001","9.029","0.002","16.29","0.003","92.8","0.02","96.78","0.02","103.77","0.02","814.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.25 Cl0.75 I0.5 S8 -","- C10 H8 Br0.249 Cl0.751 I0.5 S8 -","- C20 H16 Br0.498 Cl1.502 I S16 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034866q","","","0.71073","MoKα","","0.0254","0.02","","0.0636","0.0499","","","","1.052","1.092","1.092","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000409","23.394","0.003","12.339","0.002","18.037","0.003","90","","92.011","0.011","90","","5203.1","1.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H57 Ir N4 O2 -","- C65 H57 Ir N4 O2 -","- C260 H228 Ir4 N16 O8 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0498943","","","0.71073","MoKα","","0.0474","0.0294","","","0.0714","0.0773","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000410","15.103","0.005","20.708","0.005","14.834","0.006","100.2","0.03","116.55","0.02","81.07","0.03","4069","2","293","2","298","2","","","","","","","","8","P -1","-P 1","2","","Pentakis(trimethylphenylammonium) chloroferroundecamolybdophosphate(5-) acetonitrile (1/2)","","- C49 H76 Cl Fe Mo11 N7 O39 P -","- C49 Cl0.96 Fe0.96 Mo11.04 N7 O39.04 P -","- C98 Cl1.92 Fe1.92 Mo22.08 N14 O78.08 P2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0348996","","","0.71069","MoKα","","0.1987","0.0818","","","0.2242","0.2739","","","","","","1.046","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4000411","21.759","0.003","13.8214","0.0018","14.2237","0.0018","90","","98.849","0.004","90","","4226.7","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Al4 F N2 O16.5 P4 -","- C7 H11 Al4 F N2 O16.5 P4 -","- C56 H88 Al32 F8 N16 O132 P32 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0353005","","","0.6875","Synchrotron","","0.1118","0.0628","","","0.1441","0.1644","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000412","12.634","0.001","12.634","0.001","3.9515","0.0003","90","","90","","90","","630.73","0.09","293","2","293","2","","","","","","","","3","P 4 b m","P 4 -2ab","100","","","","- F30 Fe10 K5.25 -","- F30 Fe10 K5.25 -","- F30 Fe10 K5.25 -","1","0.125","","Fabbrici, Simone; Montanari, Erica; Righi, Lara; Calestani, Gianluca; Migliori, Andrea","Charge order and tilt modulation in multiferroic K~x~M^2+~x~M^3+~1-x~F~3~ (0.4<x<0.6) transition metal fluorides with tetragonal tungsten bronze structure","Chemistry of Materials","2004","","","","","10.1021/cm049346p","","","0.71069","MoKα","","0.0272","0.0215","","0.0515","0.0497","","","","1","1.05","1.05","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000413","35.73","0.003","17.872","0.001","7.903","0.0006","90","","90","","90","","5046.6","0.7","293","2","293","2","","","","","","","","3","B b m 2","B 2 -2b","40","","","","- F30 Fe10 K5.24 -","- F30 Fe10 K5.2435 -","- F240 Fe80 K41.948 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049346p","","","0.71069","MoKα","","0.0939","0.0225","","0.0758","0.0506","","","","0.746","1.035","1.035","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000414","12.634","0.001","12.634","0.001","7.903","0.0006","90","","90","","90","","1261.5","0.2","293","2","293","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","","","- F15 Fe5 K2.63 -","- F15 Fe5 K2.627 -","- F60 Fe20 K10.508 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049346p","","","0.71069","MoKα","","0.0402","0.0209","","0.0613","0.0544","","","","0.978","1.141","1.141","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000415","7.4368","0.0013","21.845","0.004","7.2227","0.0013","90","","90","","90","","1173.4","0.4","273","2","273","2","","","","","","","","5","A m a 2","A 2 -2a","40","guandinium ethylbenzenesulfonate","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.0254","0.0248","","","0.0644","0.0647","","","","","","1.107","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000416","22.13","0.002","7.5101","0.0008","7.6858","0.0008","90","","90","","90","","1277.4","0.2","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium propylbenzenesulfonate","","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C40 H68 N12 O12 S4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.091","0.066","","","0.1878","0.2002","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000417","24.773","0.002","7.5708","0.0006","22.3375","0.0019","90","","90","","90","","4189.5","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","03066","","","- C11 H19 N3 O3 S -","- C11.5667 H19 N3 O3 S -","- C138.8 H228 N36 O36 S12 -","12","1.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.0645","0.0496","","","0.1317","0.1418","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000418","7.1549","0.0007","11.9854","0.0012","20.579","0.002","90","","90","","90","","1764.7","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Guanidinium heptylbenzenesulfonate","","","- C14 H25 N3 O3 S -","- C14 H25 N3 O3 S -","- C56 H100 N12 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1264","0.0651","","","0.1195","0.1364","","","","","","0.987","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000419","7.796","0.002","11.825","0.004","23.588","0.007","82.83","0.005","86.091","0.005","89.365","0.005","2152.6","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","undecylbenzene sulfonate","","","- C18 H33 N3 O3 S -","- C18 H33 N3 O3 S -","- C72 H132 N12 O12 S4 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1009","0.0664","","","0.1656","0.1821","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000420","7.9093","0.0016","10.18","0.002","54.544","0.011","90","","93.94","0.03","90","","4381.4","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","guandinium dodecylbenzenesulfonate","","","- C19 H35 N3 O3 S -","- C19 H35 N3 O3 S -","- C152 H280 N24 O24 S8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.179","0.1411","","","0.3467","0.365","","","","","","1.245","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000421","7.8868","0.0008","10.1325","0.001","59.017","0.006","90","","92.131","0.002","90","","4713","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium tetradecylbenzenesulfonate","","","- C21 H39 N3 O3 S -","- C21 H39 N3 O3 S -","- C168 H312 N24 O24 S8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1553","0.0973","","","0.2173","0.2372","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000422","7.9138","0.0003","10.1427","0.0004","63.907","0.002","90","","90.032","0.002","90","","5129.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium hexadecylbenzenesulfonate","","","- C23 H43 N3 O3 S -","- C23 H43 N3 O3 S -","- C184 H344 N24 O24 S8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1101","0.0983","","","0.2495","0.2575","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000423","7.6188","0.0013","7.7097","0.0013","36.33","0.006","90","","90","","90","","2134","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","guanidinium octylbiphenylsulfonate","","","- C21 H31 N3 O3 S -","- C21 H31 N3 O3 S -","- C84 H124 N12 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.0375","0.0327","","","0.0813","0.084","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000424","7.6689","0.0016","7.9238","0.0016","38.321","0.008","90","","92.893","0.003","90","","2325.7","0.8","173","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium decylbiphenylsulfonate","","","- C23 H35 N3 O3 S -","- C23 H35 N3 O3 S -","- C92 H140 N12 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1541","0.1114","","","0.2236","0.2405","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000425","3.80005","0.00006","3.80005","","4.6703","0.0001","90","","90","","90","","67.441","0.002","293","","293","","","","","","","","","3","P 4 m m","P 4 -2","99","Lead vanadate","Lead Vanadium oxide","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Shpanchenko, Roman V.; Chernaya, Victoria V.; Tsirlin, Alexander A.; Chizhov, Pavel S.; Sklovsky, Dmitry E.; Antipov, Evgeny V.; Khlybov, Evgeny P.; Pomjakushin, Vladimir; Balagurov, Anatoly M.; Medvedeva, Julia E.; Kaul, Enrique E.; Geibel, Christoph","","Chemistry of Materials","2004","16","17","3267","3273","10.1021/cm049310x","powder diffraction","","","","","","","","","","","","","1.91","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000426","10.0364","0.0006","19.0397","0.0011","14.6644","0.0009","90","","98.192","0.001","90","","2773.6","0.3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1) Zn2(ONep)2(Et)2(py)2","","","- C24 H42 N2 O2 Zn2 -","- C24 H42 N2 O2 Zn2 -","- C96 H168 N8 O8 Zn8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0463","0.0363","","","0.0899","0.0954","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000427","12.8441","0.0012","12.8441","0.0012","10.4873","0.0019","90","","90","","90","","1730.1","0.4","168","2","168","2","","","","","","","","4","P 42/n :2","-P 4bc","86","(2) Zn2(OtBu)2(Et)2(py)2","","","- C28 H64 O4 Zn4 -","- C28 H64 O4 Zn4 -","- C56 H128 O8 Zn8 -","2","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0395","0.0293","","","0.0649","0.0688","","","","","","1.059","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000428","9.0356","0.0012","16.287","0.002","9.0483","0.0012","90","","110.124","0.002","90","","1250.3","0.3","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3) Zn4(ONep)4(Et)4","","","- C22 H38 N2 O2 Zn2 -","- C22 H38 N2 O2 Zn2 -","- C44 H76 N4 O4 Zn4 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0471","0.037","","","0.0845","0.0886","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000429","11.667","0.002","19.309","0.003","11.872","0.002","90","","97.432","0.003","90","","2652","0.8","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(4) Zn7(OMPrc)8(Et)6","","","- C44 H58 O8 Zn7 -","- C44 H58 O8 Zn7 -","- C88 H116 O16 Zn14 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0495","0.0377","","","0.1031","0.1134","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000430","16.994","0.004","16.994","0.004","11.133","0.003","90","","90","","90","","3215.3","1.5","168","2","168","2","","","","","","","","4","I 41/a :2","-I 4ad","88","(5) Zn4(OMBuc)4(Et)4","","","- C28 H56 O4 Zn4 -","- C28 H56 O4 Zn4 -","- C112 H224 O16 Zn16 -","4","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0372","0.0277","","","0.0624","0.0665","","","","","","1.072","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000431","8.166","0.003","19.155","0.008","10.522","0.004","90","","97.35","0.006","90","","1632.4","1.1","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","(6) Zn4(OMPec)4(Et)4","","","- C28 H56 O4 Zn4 -","- C28 H56 O4 Zn4 -","- C56 H112 O8 Zn8 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0758","0.0481","","","0.1002","0.1119","","","","","","0.993","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000432","8.628","0.009","11.75","0.012","14.07","0.014","90","","94.259","0.018","90","","1422","3","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(7) Zn(DMP)(Et)(py)2","","","- C15 H19 N O Zn -","- C15 H19 N O Zn -","- C60 H76 N4 O4 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.123","0.0835","","","0.2025","0.2172","","","","","","1.182","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000433","8.9458","0.0011","17.864","0.002","14.3718","0.0017","90","","94.455","0.002","90","","2289.7","0.5","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(8) Zn(DIP)(Et)(py)2","","","- C24 H32 N2 O Zn -","- C24 H32 N2 O Zn -","- C96 H128 N8 O4 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0345","0.0299","","","0.0755","0.0782","","","","","","1.062","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000434","8.8842","0.0014","16.646","0.003","15.35","0.002","90","","96.162","0.003","90","","2256.9","0.6","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(8a) Zn(DIP)(Et)(MeIm)2","","","- C22 H34 N4 O Zn -","- C22 H34 N4 O Zn -","- C88 H136 N16 O4 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.062","0.0429","","","0.0836","0.0894","","","","","","1.09","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000435","11.177","0.004","21.96","0.007","20.531","0.007","90","","99.108","0.005","90","","4976","3","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(9) Zn(DBP)(Et)(py)2","","","- C26 H36 N2 O Zn -","- C26 H36 N2 O Zn -","- C208 H288 N16 O8 Zn8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.1365","0.0714","","","0.1121","0.1322","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000436","10.1258","0.0014","9.8195","0.0014","15.366","0.002","90","","92.717","0.003","90","","1526.1","0.4","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(9b) Zn2(DBP)2(Et)2","","","- C32 H52 O2 Zn2 -","- C32 H52 O2 Zn2 -","- C64 H104 O4 Zn4 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0595","0.0408","","","0.0862","0.0928","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000437","14.232","0.003","12.391","0.003","14.194","0.003","90","","108.743","0.004","90","","2370.5","1","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(10) Zn(DMP)2(py)2","","","- C26 H28 N2 O2 Zn -","- C26 H28 N2 O2 Zn -","- C104 H112 N8 O8 Zn4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0353","0.0294","","","0.0693","0.0715","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000438","13.972","0.003","12.312","0.002","14.233","0.003","90","","106.487","0.004","90","","2347.6","0.8","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(10a) Zn(DMP)2(MeIm)2","","","- C24 H30 N4 O2 Zn -","- C24 H30 N4 O2 Zn -","- C96 H120 N16 O8 Zn4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0636","0.0456","","","0.0882","0.094","","","","","","1.087","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000439","12.862","0.002","13.097","0.003","14.012","0.003","90","","90","","90","","2360.4","0.7","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(10b) Zn(DMP)2(MeIm)(py)","","","- C25 H29 N3 O2 Zn -","- C25 H29 N3 O2 Zn -","- C100 H116 N12 O8 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0569","0.0464","","","0.1071","0.1118","","","","","","1.04","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000440","15.573","0.005","10.764","0.003","19.106","0.006","90","","101.762","0.005","90","","3135.5","1.6","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(11) Zn(DIP)2(py)2","","","- C34 H44 N2 O2 Zn -","- C34 H44 N2 O2 Zn -","- C136 H176 N8 O8 Zn4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0434","0.0338","","","0.0789","0.0847","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000441","19.631","0.003","19.768","0.003","21.383","0.004","91.914","0.003","93.064","0.003","114.479","0.003","7527","2","168","2","168","2","","","","","","","","5","P -1","-P 1","2","(11a) Zn(DIP)2(MeIm)2","","","- C76 H110 N8 O5 Zn2 -","- C76 H110 N8 O5 Zn2 -","- C304 H440 N32 O20 Zn8 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0579","0.0405","","","0.1023","0.1088","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000442","9.739","0.0013","11.7125","0.0015","16.829","0.002","102.641","0.002","99.233","0.002","90.565","0.002","1846.8","0.4","168","2","168","2","","","","","","","","5","P -1","-P 1","2","(12) Zn(DBP)2(py)2","","","- C40.5 H54.5 N2.5 O2 Zn -","- C38 H52 N2 O2 Zn -","- C76 H104 N4 O4 Zn2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0463","0.0354","","","0.0801","0.0835","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000443","9.9659","0.0015","11.3618","0.0017","17.525","0.003","73.833","0.003","87.377","0.003","87.482","0.003","1902.9","0.5","168","2","168","2","","","","","","","","5","P -1","-P 1","2","(12a) Zn(DBP)2(MeIm)2","","","- C38.5 H56.5 N4.5 O2 Zn -","- C36 H54 N4 O2 Zn -","- C72 H108 N8 O4 Zn2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0418","0.0353","","","0.0882","0.0908","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000444","17.491","0.005","17.491","0.005","11.197","0.004","90","","90","","90","","3425.7","1.7","168","2","168","2","","","","","","","","4","I 41/a :2","-I 4ad","88","(13) Zn4(OTHF)4(Et)4","","","- C28 H56 O8 Zn4 -","- C28 H56 O8 Zn4 -","- C112 H224 O32 Zn16 -","4","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.1062","0.0868","","","0.2291","0.2527","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000445","10.719","0.003","11.444","0.002","13.315","0.003","85.567","0.017","87.28","0.02","73.885","0.019","1563.9","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O2 -","- C21 H15 O2 -","- C84 H60 O8 -","4","2","","Tsai, Mu-Lin; Liu, Ching-Yang; Wang, Ya-Yun; Chen, Jao-yu; Chou, Teh-Chang; Lin, Hsiu-Mei; Tsai, Sheng-Heng; Chow, Tahsin J.","Preparation and Luminescence Properties of Polymers Containing Dialkoxyacenes","Chemistry of Materials","2004","16","17","3373","3380","10.1021/cm049431x","","x-ray","0.71073","MoKα","","0.1896","0.0515","","","0.1445","0.2011","","","","","","1.02","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000446","5.4747","0.0002","5.4747","0.0002","28.8137","0.0012","90","","90","","90","","863.61","0.06","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","strontium rhodium oxide","","","- O10 Rh3 Sr4 -","- O10 Rh3 Sr4 -","- O40 Rh12 Sr16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0491072","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000447","5.4935","0.0005","5.4935","0.0005","28.8004","0.0026","90","","90","","90","","869.15","0.14","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","strontium rhodium oxide","","","- O10 Rh3 Sr4 -","- O10 Rh3 Sr4 -","- O40 Rh12 Sr16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0491072","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000448","11.355","0.002","9.388","0.002","15.734","0.003","90","","105.45","0.03","90","","1616.6","0.5","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F6 N3 P -","- C16 H14 F6 N3 P -","- C64 H56 F24 N12 P4 -","4","1","","Liliana Cristian; Isabelle Sasaki; Pascal G. Lacroix; Bruno Donnadieu; Inge Asselberghs; Koen Clays; Alexandru C. Razus","On the donating strength of azulene in various azulen-1-yl substituted cationic dyes: application in nonlinear optics","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.08","0.0379","","","0.0727","0.0841","","","","","","0.912","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000449","12.7486","0.0016","11.4058","0.0015","13.7122","0.0018","90","","116.656","0.013","90","","1781.9","0.4","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O3 S -","- C19 H16 F3 N O3 S -","- C76 H64 F12 N4 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.1749","0.0698","","","0.1358","0.1723","","","","","","0.947","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000450","7.8976","0.0011","10.8659","0.0016","12.1852","0.0017","88.871","0.017","74.119","0.016","68.934","0.016","934.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F6 N3 P -","- C20 H16 F6 N3 P -","- C40 H32 F12 N6 P2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.0609","0.0359","","","0.0816","0.0907","","","","","","0.955","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000451","11.4181","0.0013","7.5574","0.0008","19.0355","0.0017","90.012","0.008","97.886","0.008","89.994","0.009","1627.1","0.3","293","2","239","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 F6 N4 P -","- C14 H17 F6 N4 P -","- C56 H68 F24 N16 P4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.1013","0.0544","","","0.1363","0.1596","","","","","","0.922","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000452","5.0432","0.0002","7.2468","0.0003","8.3499","0.0004","107.489","0.002","92.444","0.002","109.338","0.002","271.19","0.02","120","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C H6 F Ga O5 P -","- C H6 F Ga O5 P -","- C2 H12 F2 Ga2 O10 P2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049607v","","x-ray","0.71073","MoKα","","","0.0438","","","","0.1201","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000453","4.96726","0.0001","7.08981","0.00015","10.12196","0.00028","92.6981","0.0021","93.1525","0.0018","109.122","0.0015","335.485","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C4 F Ga O4 P -","- C4 F Ga O4 P -","- C8 F2 Ga2 O8 P2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049607v","powder diffraction","","","","","","","","","","","","","3.36","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000454","4.9587","0.0015","7.078","0.002","10.024","0.003","92.404","0.005","92.955","0.005","109.187","0.005","331.19","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6.82 H10.82 F2 Ga2 O8 P2 -","- C6.824 H10.824 F2 Ga2 O8 P2 -","- C6.824 H10.824 F2 Ga2 O8 P2 -","1","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049607v","","x-ray","0.6889","Synchrotron","","0.0324","0.0281","","","0.0736","0.0758","","","","","","1.069","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000455","6.6046","0.0009","11.4419","0.0017","6.0772","0.0007","90","","90","","90","","459.25","0.11","298","2","293","2","","","","","","","","2","P n m m :2","-P 2c 2bc","59","","Molibdenum(iii) bromide","","- Br3 Mo -","- Br3 Mo -","- Br12 Mo4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.0816","0.0405","","","0.0805","0.0909","","","","","","1.176","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000456","6.488","0.0012","11.235","0.003","5.8587","0.0013","90","","90","","90","","427.07","0.16","298","2","293","2","","","","","","","","2","P n m m :2","-P 2c 2bc","59","","Ruthenium(iii) bromide","","- Br3 Ru -","- Br3 Ru -","- Br12 Ru4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.1123","0.055","","","0.1158","0.1427","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000457","6.4875","0.001","6.4875","0.001","5.859","0.001","90","","90","","120","","213.55","0.06","293","2","293","2","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Ruthenium(iii) bromide","","- Br3 Ru -","- Br3 Ru -","- Br6 Ru2 -","2","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.0434","0.0353","","","0.0847","0.1014","","","","","","0.497","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000458","6.4988","0.0011","6.4988","0.0011","5.871","0.002","90","","90","","120","","214.75","0.09","378","2","378","2","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Ruthenium(iii) bromide","","- Br3 Ru -","- Br3 Ru -","- Br6 Ru2 -","2","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.1456","0.1162","","","0.2479","0.2739","","","","","","1.359","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000459","5.628","0.0011","8.359","0.0017","10.3","0.002","104.65","0.03","105.3","0.03","98.33","0.03","440.39","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C20 H16 N4 S2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm048640e","","","0.71073","MoKα","","0.0403","0.0368","","","0.0974","0.0999","","","","","","1.019","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000460","8.131","0.0016","13.046","0.003","8.349","0.0017","90","","113","0.03","90","","815.2","0.3","120","2","120","2","","","","","","","","1","P 1 2/n 1","-P 2yac","13","","","","- S8 -","- S8 -","- S32 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm048640e","","","0.71073","MoKα","","0.0464","0.031","","","0.07","0.0758","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000461","6.52","0.0013","8.663","0.0017","17.359","0.004","90","","90","","90","","980.5","0.3","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C5 H4 N S -","- C5 H4 N S -","- C40 H32 N8 S8 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm048640e","","","0.71073","MoKα","","0.0327","0.0272","","","0.0637","0.0657","","","","","","1.022","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000462","8.8525","0.0011","8.8525","0.0011","17.327","0.003","90","","90","","120","","1175.9","0.3","293","2","293","2","","","","","","","","6","P 63 c m","P 6c -2","185","","","","- C6 K2 Mg2 N6 O3 S6 -","- C6 K2 Mg2 N6 O3 S6 -","- C12 K4 Mg4 N12 O6 S12 -","2","0.166667","","","","Chemistry of Materials","2004","","","","","10.1021/cm031048p","","","0.71073","MoKα","","0.1035","0.0389","","","0.0595","0.0622","","","","","","0.83","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000463","5.345","0.006","7.722","0.008","22.828","0.017","84.24","0.08","84.18","0.08","78.44","0.1","915.3","1.6","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H33 Cl N2 O -","- C16 H33 Cl N2 O -","- C32 H66 Cl2 N4 O2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049296o","","","0.71073","MoKα","","0.2407","0.1609","","","0.4089","0.4368","","","","","","1.201","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000464","10.2171","0.0007","8.3349","0.0005","10.3267","0.0007","90","","119.529","0.001","90","","765.18","0.09","296","2","296","2","","","","","synthesized at 170 oC for one week","","","5","P 1 21/n 1","-P 2yn","14","","","","- H6 Ho N O9 S2 -","- H6 Ho N O9 S2 -","- H24 Ho4 N4 O36 S8 -","4","1","","Berta Gomez-Lor; Enrique GutierrezPuebla; M. Angeles Monge; Caridad Ruiz Valero; Natalia Snejko; Concepción Cascales","Catalytic behavior of rare-earth sulfates: applications in organic hydrogenation and oxidation reactions","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","0.0509","0.0373","","0.0916","0.0876","","","","0.984","1.053","1.053","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000465","10.219","0.002","8.3384","0.0014","10.323","0.002","90","","119.482","0.003","90","","765.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H6 N O9 S2 Y -","- H6 N O9 S2 Y -","- H24 N4 O36 S8 Y4 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","0.1356","0.0652","","0.1519","0.1266","","","","0.964","1.095","1.095","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000466","7.5003","0.0017","8.1774","0.0018","9.835","0.002","90","","112.136","0.003","90","","558.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- In Na O7 P2 -","- In Na O7 P2 -","- In4 Na4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0354","","","0.0954","0.1034","","","","","","1.067","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000467","7.4173","0.0015","10.407","0.002","8.405","0.0017","90","","106.223","0.003","90","","622.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- In K O7 P2 -","- In K O7 P2 -","- In4 K4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0524","","","0.1368","0.1478","","","","","","1.182","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000468","7.5523","0.0001","10.4201","0.0003","8.5026","0.0002","90","","105.433","0.001","90","","644.99","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- In O7 P2 Rb -","- In O7 P2 Rb -","- In4 O28 P8 Rb4 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0376","","","0.0967","0.0984","","","","","","1.146","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000469","7.741","0.014","10.36","0.009","8.597","0.009","90","","104.57","0.04","90","","667.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs In O7 P2 -","- Cs In O7 P2 -","- Cs4 In4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0491330","","","0.71073","MoKα","","0.0211","0.02","","","0.0516","0.0521","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000470","9.6791","0.0005","13.1696","0.0007","27.5957","0.0015","90","","91.585","0.001","90","","3516.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Sn Te5 -","- Ba2 Sn Te5 -","- Ba24 Sn12 Te60 -","12","3","","","","Chemistry of Materials","2004","","","","","10.1021/cm049155m","","","0.71073","MoKα","","0.0823","0.0578","","","0.088","0.0958","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000471","5.3266","0.0004","9.5576","0.0006","15.3294","0.0009","96.841","0.004","92.152","0.004","102.594","0.004","754.59","0.09","220","2","220","2","","","","","","","","3","P -1","-P 1","2","","5,11-dioctyl-6,12-dimethylindolo[3,2-b]carbazole","","- C36 H48 N2 -","- C36 H48 N2 -","- C36 H48 N2 -","1","0.5","","Salem Wakim; Jimmy Bouchard; Michel Simard; Nicolas Drolet; Ye Tao; Mario Leclerc","Organic Micro-Electronics : Design, Synthesis, and Characterizaton of Ladder Oligo(para-aniline)s","Chemistry of Materials","2004","","","","","10.1021/cm049786g","","","1.54178","CuKα","","0.116","0.0871","","","0.2037","0.2251","","","","","","0.936","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000472","13.879","0.003","5.5797","0.0006","22.205","0.004","90","","96.53","0.02","90","","1708.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4',3''''-dihexyl-2,2';5',2'';5'',2''';5''',2'''';5'''',2'''''-sexithiophene","","- C36 H38 S6 -","- C36 H38 S6 -","- C72 H76 S12 -","2","0.5","","Kiriy, Nataliya.; Kiriy, Anton; Stamm, Manfred; Richter, S.; Ploetner, M.; Fisher, W.-J.; Krebs, Frederik C.; Senkovska, I.; Adler, Hans-juergen.","","Chemistry of Materials","2004","","","","","10.1021/cm049686a","","x-ray","0.71073","MoKα","","0.0732","0.0587","","","0.1972","0.2085","","","","","","1.097","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000473","5.3989","0.0004","48.565","0.004","10.5256","0.0009","90","","101.676","0.004","90","","2702.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(12-bromododecyl)thio-4-methylthio-3',4'-ethylenedithio-tetrathiafulvalene","","- C21 H31 Br S8 -","- C21 H31 Br S8 -","- C84 H124 Br4 S32 -","4","1","","Noh, Dong-Youn; Willing, Gerold A.; Han, Catherine Y.; Shin, Kyong-Soon; Geiser, Urs; Wang, H. Hau","BEDT-TTF template crystallization with use of an electron donor molecule with dodecanethiol","Chemistry of Materials","2004","","","","","10.1021/cm049660j","","","0.71073","MoKα","","0.1178","0.0963","","","0.2109","0.2198","","","","","","1.229","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000474","14.086","0.003","20.057","0.004","20.938","0.004","90","","90","","90","","5915","2","193","2","193","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C24 H56 Cl12 N10 Nb6 O2 -","- C24 H50 Cl12 N10 Nb6 O2 -","- C96 H200 Cl48 N40 Nb24 O8 -","4","","","Huajun Zhou; Cynthia S. Day; Abdessadek Lachgar","Assembly of Hybrid Inorganic-Organic Materials from Octahedral Nb6 Clusters and Metal Complexes","Chemistry of Materials","2004","","","","","10.1021/cm049007w","","","0.71073","MoKα","","0.0683","0.0482","","","0.1173","0.127","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000475","23.1512","0.0013","13.0142","0.0007","23.2007","0.0013","90","","90","","90","","6990.2","0.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H52 Cl12 Mn2 N12 Nb6 O4 -","- C46 H52 Cl12 Mn2 N12 Nb6 O4 -","- C184 H208 Cl48 Mn8 N48 Nb24 O16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049007w","","","0.71073","MoKα","","0.0355","0.027","","","0.0664","0.0696","","","","","","1.055","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000476","13.2271","0.0011","21.8002","0.0018","13.7809","0.001","90","","93.648","0.006","90","","3965.7","0.5","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H84 Cl12 Mn2 N12 Nb6 O8 -","- C58 H41.7 Cl12 Mn2 N12 Nb6 O8 -","- C116 H83.4 Cl24 Mn4 N24 Nb12 O16 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049007w","","","0.71073","MoKα","","0.0605","0.0378","","","0.0784","0.0862","","","","","","1.028","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000477","7.97914","0.00012","11.20536","0.00018","11.62764","0.00017","90","","109.468","0.0008","90","","980.182","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 La4 O9 -","- Ga2 La4 O9 -","- Ga8 La16 O36 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0487472","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000478","8.00967","0.00015","11.16007","0.00023","11.6426","0.0004","90","","110.106","0.004","90","","977.287","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.35 Ge0.15 La O2.32 -","- Ga0.35 Ge0.15 La O2.32 -","- Ga5.6 Ge2.4 La16 O37.12 -","16","4","","","","Chemistry of Materials","2004","","","","","10.1021/cm0487472","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000479","8.06422","0.00017","11.15783","0.00027","11.691","0.0005","90","","110.175","0.005","90","","987.403","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.35 Ge0.15 La O2.33 -","- Ga0.35 Ge0.15 La O2.325 -","- Ga5.6 Ge2.4 La16 O37.2 -","16","4","","","","Chemistry of Materials","2004","","","","","10.1021/cm0487472","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000480","8.10618","0.0002","11.17474","0.00033","11.7147","0.0006","90","","110.261","0.007","90","","995.508","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.35 Ge0.15 La O2.33 -","- Ga0.35 Ge0.15 La O2.325 -","- Ga5.6 Ge2.4 La16 O37.2 -","16","4","","","","Chemistry of Materials","2004","","","","","10.1021/cm0487472","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000481","3.993","0.005","12.448","0.004","25.119","0.005","90","","90","","90","","1248","1","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Au0.44 I0.88 S4 Se2 -","- C7 H4 Au S4 Se2 -","- C28 H16 Au4 S16 Se8 -","4","0.5","","Kazuo Takimiya","","Chemistry of Materials","2004","","","","","10.1021/cm049144t","","","0.7107","MoKα","","","0.0309","","","","0.038","","","","","","1.422","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000482","7.2258","0.0008","12.2109","0.0012","13.9069","0.0014","110.412","0.003","96.886","0.003","92.829","0.003","1136.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2-bromo-1,3,4-trifluoro-9-hydroxyacridine","","- C13 H5 Br F3 N O -","- C13 H5 Br F3 N O -","- C52 H20 Br4 F12 N4 O4 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm048867+","","","0.71073","MoKα","","0.0694","0.0363","","","0.0833","0.0978","","","","","","0.999","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000483","7.1417","0.0006","12.2055","0.001","13.7337","0.0012","110.432","0.002","95.879","0.002","92.918","0.002","1111.09","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-bromo-1,3,4-trifluoro-9-hydroxyacridine","","- C13 H5 Br F3 N O -","- C13 H5 Br F3 N O -","- C52 H20 Br4 F12 N4 O4 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm048867+","","","0.71073","MoKα","","0.0313","0.0272","","","0.0725","0.0747","","","","","","0.899","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000484","9.64","0.02","9.64","0.02","7.08","0.02","90","","90","","120","","571","2","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ce8.67 F0.67 Na1.33 O25.33 Si6 -","- Ce8.68 F0.68 Na1.32 O25.32 Si6 -","- Ce8.68 F0.68 Na1.32 O25.32 Si6 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm048402j","","","0.71069","MoKα","","0.0509","0.0262","","","0.0576","0.0616","","","","","","1.126","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000485","7.42757","0.00003","7.42757","0.00003","7.42757","0.00003","90","","90","","90","","409.769","0.004","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Strontium copper titanium oxide","","- Cu3 O12 Sr Ti4 -","- Cu2.946 O12 Sr0.946 Ti4.054 -","- Cu5.892 O24 Sr1.892 Ti8.108 -","2","0.0416667","","Li, J; Subramanianb, M A; Rosenfeldb, H D; Jones, C Y; Toby, B H; Sleight, A W","","Chemistry of Materials","2004","","","","","10.1021/cm048345u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000486","13.27","0.002","6.629","0.001","10.866","0.001","90","","90","","90","","955.8","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- As F Fe H4 N O4 -","- As F Fe N O4 -","- As8 F8 Fe8 N8 O32 -","8","2","","Bazán, B.; Mesa, J.L.; Pizarro, J.L.; Rodríguez-Fernández, J.; Sánchez Marcos, J.; Roig, A.; Molins, E.; Arriortua, M.I.; Rojo, T.","Thermal transformation of (NH4)[Fe(AsO4F] Into The New Textural Porous Orthorhombic Fe(AsO4) Phase. Crystal Structures, Thermal Behavior, Spectroscopic and Magnetic Properties. CM040161S","Chemistry of Materials","2004","","","","","10.1021/cm040161s","","","0.71073","MoKα","","0.0257","0.0219","","","0.0543","0.0555","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000487","13.468","0.002","6.5255","0.0011","10.7678","0.0018","90","","90","","90","","946.3","0.3","293","2","293","2","","","","","","","","3","I m a m","-I 2c 2","74","","","","- As Fe O4 -","- As Fe O4 -","- As12 Fe12 O48 -","12","0.75","","","","Chemistry of Materials","2004","","","","","10.1021/cm040161s","","","0.71073","MoKα","","0.0221","0.0177","","","0.0404","0.0415","","","","","","1.002","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000488","30.4457","0.0013","11.354","0.0005","11.5836","0.0005","90","","106.539","0.001","90","","3838.6","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Co N3 O8 V2 -","- C15 H12 Co N3 O8.019 V2 -","- C120 H96 Co8 N24 O64.152 V16 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049071d","","","0.71073","MoKα","","0.0447","0.0404","","","0.1232","0.1259","","","","","","1.161","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000489","8.1517","0.0004","8.5794","0.0004","10.1233","0.0005","87.017","0.001","75.961","0.001","75.174","0.001","663.94","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Co N2 O6 V2 -","- C10 H8 Co N2 O6 V2 -","- C20 H16 Co2 N4 O12 V4 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049071d","","","0.71073","MoKα","","0.0252","0.0242","","","0.0662","0.0669","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000490","15.267","0.003","8.7932","0.0015","16.438","0.003","90","","114.405","0.003","90","","2009.5","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H56 N2 O9 S2 -","- C39 H42 N2 O9 S2 -","- C78 H84 N4 O18 S4 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0489845","","","0.71073","MoKα","","0.076","0.0466","","","0.1129","0.1227","","","","","","0.899","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000491","8.1217","0.0006","8.9601","0.0006","10.4611","0.0008","111.93","0.001","103.655","0.001","101.903","0.001","648.59","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3.25 H2.75 F Ga2.5 N1.5 O11 P2 -","- C3.25 F Ga2.5 N1.5 O11 P2 -","- C6.5 F2 Ga5 N3 O22 P4 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm048820o","","","0.71073","MoKα","","0.0764","0.0598","","","0.1568","0.1654","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000492","5.6267","0.001","23.134","0.008","8.082","0.002","90","","105.215","0.018","90","","1015.1","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C36 H60 N4 O24 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0489385","","","0.71073","MoKα","","0.076","0.045","","","0.104","0.113","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000493","10.2826","0.0016","12.6977","0.0019","17.864","0.003","90","","102.761","0.003","90","","2274.8","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","scandium fluorophosphate","","","- C6 H22 F2 N2 O20 P4 Sc4 -","- C5.997 H22 F2 N1.997 O20 P4 Sc4 -","- C23.988 H88 F8 N7.988 O80 P16 Sc16 -","4","1","","","Crystal structure of (C6H14N2)Sc4F2(PO4)4.4H2O","Chemistry of Materials","2004","","","","","10.1021/cm048764r","","","0.71073","MoKα","","0.0605","0.0418","","","0.0981","0.1065","","","","","","1.06","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000494","10.28","0.002","12.7","0.003","17.86","0.004","90","","102.47","0.03","90","","2276.7","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Indium Fluorophosphate","","","- C6 H22 F2 In4 N2 O20 P4 -","- C6 H22 F2 In4 N2 O20 P4 -","- C24 H88 F8 In16 N8 O80 P16 -","4","1","","","Crystal structure of (C6H14N2)In4F2(PO4)4.4H2O","Chemistry of Materials","2004","","","","","10.1021/cm048764r","","","0.71073","MoKα","","0.0574","0.0395","","","0.0897","0.0977","","","","","","0.994","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000495","10.9241","0.0004","7.1691","0.0005","15.8491","0.001","90","","106.598","0.002","90","","1189.52","0.12","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","C24H12 + C12H4N4","","- C36 H16 N4 -","- C36 H16 N4 -","- C72 H32 N8 -","2","0.5","","X.Chi; C. Besnard; V. K. Thorsmolle; V. Y. Butko; A. P. Ramirez","Structure and transport properties of the charge transfer salt Coronene-TCNQ","Chemistry of Materials","2004","","","","","10.1021/cm049187+","","","0.902","synchrotron","","0.0414","0.0373","","0.0926","0.0917","0.0926","","","","","","0.871","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001605","6.5483","0.0008","8.3548","0.001","10.42","0.0013","90","","105.04","0.003","90","","550.55","0.12","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 K2 O12 U2 -","- Cr2 K2 O12 U2 -","- Cr4 K4 O24 U4 -","2","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0199","","","","0.0426","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001606","6.8677","0.0006","8.3599","0.0007","10.4625","0.0008","90","","106.004","0.002","90","","577.41","0.08","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 O12 Rb2 U2 -","- Cr2 O12 Rb2 U2 -","- Cr4 O24 Rb4 U4 -","2","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0296","","","","0.0564","","","","","","0.842","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001607","7.2643","0.0015","8.3803","0.0017","10.51","0.002","90","","106.399","0.005","90","","613.8","0.2","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 Cs2 O12 U2 -","- Cr2 Cs2 O12 U2 -","- Cr4 Cs4 O24 U4 -","2","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0569","","","","0.1102","","","","","","0.746","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001608","10.5825","0.0019","15.134","0.003","8.1425","0.0014","90","","90","","90","","1304.1","0.4","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cr2 H8 Mg O16 U2 -","- Cr2 Mg O16 U2 -","- Cr8 Mg4 O64 U8 -","4","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0511","","","","0.1334","","","","","","0.773","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001609","7.2902","0.0015","8.3757","0.0017","61.789","0.013","88.085","0.003","89.908","0.003","71.268","0.003","3570.9","1.3","153","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H45 Cl N2 O -","- C22 H43 Cl N2 O -","- C132 H258 Cl6 N12 O6 -","6","3","","Downard, A.; Earle, M. J.; Hardacre, C.; McMath, S. E. J.; Nieuwenhuyzen, M.; Teat, S. J.","Structural Studies of Crystalline 1-Alkyl-3-Methylimidazolium Chloride Salts","Chemistry of Materials","2004","16","1","43","","10.1021/cm034344a","","","0.6867","Synchrotron","","0.08","0.0612","","","0.1611","0.1745","","","","","","1.033","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001610","6.81","0.003","9.037","0.004","25.214","0.011","92.057","0.008","94.654","0.008","108.591","0.007","1462.8","1.1","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl4 N2 O -","- C24 H46 Cl4 N2 O -","- C48 H92 Cl8 N4 O2 -","2","1","","Downard, A.; Earle, M. J.; Hardacre, C.; McMath, S. E. J.; Nieuwenhuyzen, M.; Teat, S. J.","Structural Studies of Crystalline 1-Alkyl-3-Methylimidazolium Chloride Salts","Chemistry of Materials","2004","16","1","43","","10.1021/cm034344a","","","0.71073","MoKα","","0.2118","0.1046","","","0.2595","0.3228","","","","","","0.93","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001611","6.8297","0.0004","16.6725","0.0009","14.2487","0.0008","90","","90","","90","","1622.47","0.16","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce2 I6 O19 -","- Ce2 I6 O19 -","- Ce8 I24 O76 -","4","0.5","","Sykora, Richard E.; Deakin, Laura; Mar, Arthur; Skanthakumar, S.; Soderholm, L.; Albrecht-Schmitt, Thomas E.","Isolation of Intermediate-Valent Ce(III)/Ce(IV) Hydrolysis Products in the Preparation of Cerium Iodates: Electronic and Structural Aspects of Ce2(IO3)6(OHx) (x≈ 0 and 0.44)","Chemistry of Materials","2004","16","7","1343","","10.1021/cm035147e","","","0.71073","MoKα","","0.0174","0.016","","","0.0375","0.038","","","","","","1.18","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001612","6.8534","0.0004","16.9885","0.001","14.2404","0.0008","90","","90","","90","","1658","0.17","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ce2 H0.5 I6 O19 -","- Ce2 I6 O19 -","- Ce8 I24 O76 -","4","0.5","","Sykora, Richard E.; Deakin, Laura; Mar, Arthur; Skanthakumar, S.; Soderholm, L.; Albrecht-Schmitt, Thomas E.","Isolation of Intermediate-Valent Ce(III)/Ce(IV) Hydrolysis Products in the Preparation of Cerium Iodates: Electronic and Structural Aspects of Ce2(IO3)6(OHx) (x≈ 0 and 0.44)","Chemistry of Materials","2004","16","7","1343","","10.1021/cm035147e","","","0.71073","MoKα","","0.0303","0.0302","","","0.0646","0.0646","","","","","","1.563","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001728","13.852","","7.663","","13.661","","90","","90.093","","90","","1450.08","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ag5 Te2 Cl","","- Ag5 Cl Te2 -","- Ag5 Cl Te2 -","- Ag40 Cl8 Te16 -","8","2","","Boettcher, P.; Nilges, T.; Pfitzner, A.; Nilsen, S.; Doert, T.","Structure-property relations and diffusion pathways of the silver ion conductor Ag5 Te2 Cl","Chemistry of Materials (1,1989-)","2004","16","","806","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001729","9.7783","","9.7783","","7.8658","","90","","90","","90","","752.09","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ag5 Te2 Cl","","- Ag5 Cl Te2 -","- Ag5 Cl Te2 -","- Ag20 Cl4 Te8 -","4","0.125","","Nilges, T.; Doert, T.; Pfitzner, A.; Boettcher, P.; Nilsen, S.","Structure-property relations and diffusion pathways of the silver ion conductor Ag5 Te2 Cl","Chemistry of Materials (1,1989-)","2004","16","","806","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002630","4.6379","","10.743","","7.464","","90","","90","","90","","371.893","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Pd In2","","- In2 La Pd -","- In2 La Pd -","- In8 La4 Pd4 -","4","0.25","","Zaremba, V.I.; Kaczorowski, D.; Hoffmann, R.D.; Poettgen, R.; Rodewald, U.C.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002631","13.977","","13.977","","9.255","","90","","90","","90","","1808.03","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Pr Pd In2","","- In2 Pd Pr -","- In2 Pd Pr -","- In40 Pd20 Pr20 -","20","1.25","","Zaremba, V.I.; Kaczorowski, D.; Poettgen, R.; Rodewald, U.C.; Hoffmann, R.D.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002632","13.685","","13.685","","9.128","","90","","90","","90","","1709.48","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Tb0.98 Pd In2.02","","- In2.02 Pd Tb0.98 -","- In2.02 Pd Tb0.98 -","- In40.4 Pd20 Tb19.6 -","20","1.25","","Zaremba, V.I.; Kaczorowski, D.; Rodewald, U.C.; Hoffmann, R.D.; Poettgen, R.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002633","13.588","","13.588","","9.084","","90","","90","","90","","1677.21","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Tm0.99 Pd In2.01","","- In2.01 Pd Tm0.99 -","- In2.014 Pd Tm0.986 -","- In40.28 Pd20 Tm19.72 -","20","1.25","","Zaremba, V.I.; Hoffmann, R.D.; Kaczorowski, D.; Rodewald, U.C.; Poettgen, R.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4020765","12.948","0.002","17.7599","0.0004","28.2209","0.0003","90","","90","","90","","6489.7","0.5","273.2","","273.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H52 Cl4 O10 -","- C71 H52 Cl4 O10 -","- C284 H208 Cl16 O40 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4020766","12.03","0.003","13.764","0.004","17.662","0.006","90","","93.25","0.03","90","","2919","1","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 Ag Cl2 O10 -","- C29 H23 Ag Cl2 O10 -","- C116 H92 Ag4 Cl8 O40 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4020767","6.9904","0.001","14.747","0.002","18.83","0.003","90","","98.874","0.005","90","","1917.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Cl O5 -","- C23 H17 Cl O5 -","- C92 H68 Cl4 O20 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020768","8.757","0.003","9.643","0.002","8.346","0.002","103.06","0.01","94.02","0.01","100.73","0.01","669.9","0.3","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 Cl3 N2 O3 -","- C9 H11 Cl3 N2 O3 -","- C18 H22 Cl6 N4 O6 -","2","1","","Ahmad Basheer; Zvi Rappoport","Enols of Amides Activated by the 2,2,2-Trichloroethoxycarbonyl Group","Journal of Organic Chemistry","2004","69","","1151","1160","10.1021/jo030266z","","","","","","","0.061","","","0.081","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020769","20.8569","0.0004","20.8569","0.0004","9.0442","0.0002","90","","90","","90","","3934.32","0.14","180","2","180","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Ni tetrabenzoporphyrin","","","- C77 H53 Cl3 N4 Ni O16 -","- C79.22 H55.22 Cl9.66 N4 Ni O16 -","- C158.44 H110.44 Cl19.32 N8 Ni2 O32 -","2","0.25","","Olga S. Finikova; Andrei V. Cheprakov; Irina P. Beletskaya; Patrick J. Carroll; Sergei A. Vinogradov","Novel Versatile Synthesis of Substituted Tetrabenzoporphyrins","Journal of Organic Chemistry","2004","69","","522","535","10.1021/jo0350054","","","","","","","0.0617","","","0.1583","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020770","6.656","0.001","14.038","0.003","40.714","0.008","90","","90","","90","","3804.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-dithiodianthranilide","","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C168 H120 N24 S24 -","12","3","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020771","9.607","0.001","12.8255","0.0015","14.217","0.0012","90","","102.919","0.008","90","","1707.4","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H52 N8 S2 -","- C32 H52 N8 S2 -","- C64 H104 N16 S4 -","2","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020772","8.749","0.001","9.771","0.001","18.104","0.002","90","","90","","90","","1547.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(+)-dianthranilide DMSO 1:1 solvate","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020773","17.397","0.001","8.5828","0.0005","18.7108","0.0011","90","","103.073","0.005","90","","2721.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dianthranilide DMSO solvate","","","- C30 H26 N4 O5 S -","- C30 H26 N4 O5 S -","- C120 H104 N16 O20 S4 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020774","8.6349","0.0017","11.2312","0.0019","12.402","0.002","97.534","0.015","96.796","0.016","93.056","0.015","1181.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","dianthranilide","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","2","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020775","7.669","0.002","9.014","0.002","9.62","0.002","83.99","0.02","89.72","0.02","68.74","0.02","616","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","dithiodiantranilide","","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C28 H20 N4 S4 -","2","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020776","10.737","0.002","14.931","0.003","18.911","0.004","90","","90","","90","","3031.7","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 N2 O8 -","- C34 H34 N2 O8 -","- C136 H136 N8 O32 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020777","10.4813","0.0006","11.9342","0.0007","9.7556","0.0005","90","","106.066","0.004","90","","1172.63","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","F. Christopher Pigge; John J. Coniglio; Nigam P. Rath","Functionalized Spiro- and Fused-Ring Heterocycles via Oxidative Demetalation of Cyclohexadienyl Ruthenium Complexes","Journal of Organic Chemistry","2004","69","","1161","1168","10.1021/jo035058l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020778","9.0063","0.0002","7.1259","0.0001","11.4408","0.0002","90","","110.754","0.001","90","","686.6","0.02","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","","F. Christopher Pigge; John J. Coniglio; Nigam P. Rath","Functionalized Spiro- and Fused-Ring Heterocycles via Oxidative Demetalation of Cyclohexadienyl Ruthenium Complexes","Journal of Organic Chemistry","2004","69","","1161","1168","10.1021/jo035058l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020779","9.0118","0.0009","10.8258","0.0011","16.5929","0.0017","90","","90","","90","","1618.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Cl O3 -","- C17 H23 Cl O3 -","- C68 H92 Cl4 O12 -","4","1","","Trevor C. McMorris; Michael D. Staake; Michael J. Kelner","Synthesis and Biological Activity of Enantiomers of Antitumor Irofulven","Journal of Organic Chemistry","2004","69","","619","623","10.1021/jo035084j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020780","9.379","0.009","10.385","0.009","12.99","0.009","90","","103.91","0.07","90","","1228.2","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl O3 -","- C13 H15 Cl O3 -","- C52 H60 Cl4 O12 -","4","1","","Trevor C. McMorris; Michael D. Staake; Michael J. Kelner","Synthesis and Biological Activity of Enantiomers of Antitumor Irofulven","Journal of Organic Chemistry","2004","69","","619","623","10.1021/jo035084j","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020781","7.2803","0.0004","26.718","0.002","8.572","0.0005","90","","90","","90","","1667.4","0.2","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 Br2 O5 -","- C16 H16 Br2 O5 -","- C64 H64 Br8 O20 -","4","1","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020782","18.3151","0.0007","16.306","0.0007","19.7968","0.0008","90","","90","","90","","5912.2","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br2 O3 -","- C15 H14 Br2 O3 -","- C240 H224 Br32 O48 -","16","2","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020783","11.7974","0.0006","8.1389","0.0004","11.4455","0.0005","90","","98.719","0.002","90","","1086.27","0.09","173","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C40 H32 Br8 O8 -","4","1","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020784","5.86","0.0007","8.4944","0.001","13.4511","0.0017","101.721","0.002","98.011","0.002","99.562","0.002","636.01","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","sm08","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","B. Jesse E. Reich; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Stephen A. Miller","Cyanide-Catalyzed Cyclizations via Aldimine Coupling","Journal of Organic Chemistry","2004","69","","1357","1359","10.1021/jo035245j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020785","5.943","0.0009","8.6856","0.0013","14.988","0.002","74.255","0.002","81.05","0.002","83.614","0.002","733.64","0.19","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","B. Jesse E. Reich; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Stephen A. Miller","Cyanide-Catalyzed Cyclizations via Aldimine Coupling","Journal of Organic Chemistry","2004","69","","1357","1359","10.1021/jo035245j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020786","7.2819","0.0004","14.1493","0.0008","16.561","0.002","90","","90.188","0.002","90","","1706.32","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Br4 N3 O -","- C15 H13 Br4 N3 O -","- C60 H52 Br16 N12 O4 -","4","1","","Ravi S. Orugunty; Ion Ghiviriga; Khalil A. Abboud; Merle A. Battiste; Dennis L. Wright","Bridged Synthons from Tetrabromocyclopropene: Studies on the Rearrangement of the Primary Diels-Alder Adduct with 2,5-Dimethylfuran","Journal of Organic Chemistry","2004","69","","570","572","10.1021/jo0352631","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020787","7.1376","0.0009","7.597","0.001","36.333","0.005","90","0.002","90","0.002","90","0.002","1970.2","0.4","183.2","","183.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N2 O6 -","- C18 H25 N2 O6 -","- C72 H100 N8 O24 -","4","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020788","8.8898","0.0008","10.5671","0.0009","16.154","0.001","90","0.002","92.938","0.002","90.001","0.002","1515.5","0.2","293.2","","293.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 N3 O3 S -","- C36 H37 N3 O3 S -","- C72 H74 N6 O6 S2 -","2","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020789","7.1557","0.0009","7.5846","0.0009","36.427","0.004","90.005","0.002","90.002","0.002","89.94","0.002","1977","0.4","273.2","","273.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N10 O10 -","- C18 H26 N2 O6 -","- C72 H104 N8 O24 -","4","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020790","5.726","0.001","9.535","0.002","16.038","0.003","82.246","0.003","89.04","0.01","76.958","0.007","845.1","0.3","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C40 H44 O4 -","2","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020791","14.908","0.002","8.2274","0.0009","18.524","0.002","90","","109.164","0.003","90","","2146.1","0.4","293.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C112 H104 O8 -","4","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020792","13.392","0.002","10.953","0.001","28.412","0.002","89","","89","","90","","4167.2","0.8","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C224 H208 O16 -","8","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020793","10.085","0.004","20.08","0.007","5.43","0.002","90","","90.23","0.02","90","","1099.6","0.6","213","1","213","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F N O5 S -","- C10 H8 F N O5 S -","- C40 H32 F4 N4 O20 S4 -","4","1","","Katsutoshi Suzuki; Toshio Fuchigami","Electrolytic Partial Fluorination of Organic Compounds. 71. Highly Diastereoselective Anodic Fluorination of Sulfides Having Oxygen-Containing Heterocyclic Groups","Journal of Organic Chemistry","2004","69","","1276","1282","10.1021/jo035291j","","","","","","","0.0869","","","0.176","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020794","8.4301","0.0006","11.752","0.0009","21.968","0.0017","90","","90","","90","","2176.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H15 I O2 -","- C9 H15 I O2 -","- C72 H120 I8 O16 -","8","1","","Francesca Peri; Enrico Binassi; Antonio Manetto; Emanuela Marotta; Andrea Mazzanti; Paolo Righi; Noemi Scardovi; Goffredo Rosini","Preparation of Bicyclo[3.2.0]heptane-2-endo,7-endo-diols: 1,3-Diols with a Chiral Rigid Backbone","Journal of Organic Chemistry","2004","69","","1353","1356","10.1021/jo035324v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020795","9.6661","0.0006","9.9694","0.0006","21.165","0.0014","90","","90","","90","","2039.6","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Shawn R. Hitchcock; David M. Casper; Jeremy F. Vaughn; Jennifer M. Finefield; Gregory M. Ferrence; Joel M. Esken","Intramolecular Chiral Relay at Stereogenic Nitrogen. Synthesis and Application of a New Chiral Auxiliary Derived from (1R,2S)-Norephedrine and Acetone","Journal of Organic Chemistry","2004","69","","714","718","10.1021/jo035325n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020796","7.4888","0.0005","15.2345","0.0011","10.0221","0.0005","90","","98.888","0.005","90","","1129.67","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","","Urlam Murali Krishna; Kodand D. Deodhar; Girish K. Trivedi; Shaikh M. Mobin","Novel Route to Functionalized Cyclooctanoids via [5+3] Cycloaddition","Journal of Organic Chemistry","2004","69","","967","969","10.1021/jo0353583","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020797","10.502","0.0013","10.656","0.001","12.985","0.0018","90","","109.664","0.01","90","","1368.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Urlam Murali Krishna; Kodand D. Deodhar; Girish K. Trivedi; Shaikh M. Mobin","Novel Route to Functionalized Cyclooctanoids via [5+3] Cycloaddition","Journal of Organic Chemistry","2004","69","","967","969","10.1021/jo0353583","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020798","5.9032","0.0004","15.6841","0.0012","12.9404","0.001","90","","100.906","0.003","90","","1176.47","0.15","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 O11 S2 -","- C22 H24 O11 S2 -","- C44 H48 O22 S4 -","2","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020799","6.9869","0.0001","10.6937","0.0002","20.5161","0.0005","90","","90","","90","","1532.88","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O7 S -","- C15 H16 O7 S -","- C60 H64 O28 S4 -","4","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020800","10.3321","0.0002","13.48","0.0003","11.4618","0.0002","90","","107.376","0.002","90","","1523.51","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C72 H60 Br4 O12 -","4","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020801","5.7909","0.0003","9.3699","0.0004","15.5907","0.0008","90","","95.641","0.002","90","","841.86","0.07","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020802","9.0331","0.0012","9.5368","0.0013","11.185","0.0016","106.07","0.003","111.336","0.002","102.614","0.003","805.77","0.19","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Br2 N O2 -","- C16 H21 Br2 N O2 -","- C32 H42 Br4 N2 O4 -","2","1","","Fedor I. Zubkov; Eugenia V. Nikitina; Konstantin F. Turchin; Grigorii G. Aleksandrov; Anastasia A. Safronova; Roman S. Borisov; Alexey V. Varlamov","Wagner-Meerwein Skeletal Rearrangement of 3-Spiroannulated 6,8a-Epoxy- and 6,8a;7,8-Diepoxyisoquinolines (3-Aza-11-oxatricyclo[6.2.1.0^1,6^]undec-9-enes). Isolation and Identification of 5-Aza-2-oxatricyclo[6.2.1.0^3,9^]undec-3-enes","Journal of Organic Chemistry","2004","69","","432","438","10.1021/jo0353684","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020803","9.1726","0.0017","9.903","0.0019","10.0782","0.0019","112.099","0.003","101.216","0.004","96.596","0.004","814","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Fedor I. Zubkov; Eugenia V. Nikitina; Konstantin F. Turchin; Grigorii G. Aleksandrov; Anastasia A. Safronova; Roman S. Borisov; Alexey V. Varlamov","Wagner-Meerwein Skeletal Rearrangement of 3-Spiroannulated 6,8a-Epoxy- and 6,8a;7,8-Diepoxyisoquinolines (3-Aza-11-oxatricyclo[6.2.1.0^1,6^]undec-9-enes). Isolation and Identification of 5-Aza-2-oxatricyclo[6.2.1.0^3,9^]undec-3-enes","Journal of Organic Chemistry","2004","69","","432","438","10.1021/jo0353684","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020804","10.01","0.0003","6.249","0.0002","13.879","0.0005","90","","101.145","0.001","90","","851.79","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","cis-4-hydroxypiperidinone","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020805","6.188","0.0005","9.629","0.0008","14.732","0.0012","90","","98.87","0.004","90","","867.3","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","enol form of 4,6-dioxopipridine 4a","","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C30 H46 N2 O12 -","2","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020806","6.24","0.0002","13.546","0.0004","29.709","0.0009","90","","90","","90","","2511.21","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","trans-4-hydroxy-pipecolate derivative","","","- C22 H30 N2 O8 -","- C22 H30 N2 O8 -","- C88 H120 N8 O32 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020807","9.8807","0.0004","9.8807","0.0004","14.949","0.001","90","","90","","120","","1263.92","0.11","293","2","293","2","","","","","","","","4","P 31","P 31","144","pipecolate derivative","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C45 H75 N3 O12 -","3","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020808","25.067","0.003","5.9507","0.0008","33.816","0.005","90","","100.497","0.002","90","","4959.9","1.2","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C224 H256 O64 -","8","1","","Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga","Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular ""Rocking Chair""","Journal of Organic Chemistry","2004","69","","1337","1345","10.1021/jo0353987","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020809","10.205","0.003","11.005","0.004","14.124","0.005","93.024","0.006","102.766","0.006","99.552","0.006","1519","0.8","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 Cl3 O8 -","- C29 H33 Cl3 O8 -","- C58 H66 Cl6 O16 -","2","1","","Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga","Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular ""Rocking Chair""","Journal of Organic Chemistry","2004","69","","1337","1345","10.1021/jo0353987","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020810","11.525","0.004","12.933","0.005","17.095","0.006","90","","94.762","0.007","90","","2539.3","1.5","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O8 -","- C28 H32 O8 -","- C112 H128 O32 -","4","1","","Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga","Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular ""Rocking Chair""","Journal of Organic Chemistry","2004","69","","1337","1345","10.1021/jo0353987","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00",""
"4020811","6.3899","0.0016","9.466","0.002","13.63","0.004","100.278","0.003","102.391","0.004","99.08","0.004","775.6","0.3","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C26 H46 N2 O10 -","2","1","","James E. Tarver, Jr.; Madeleine M. Joullié","Synthesis of γ,δ-Unsaturated and γ,ε-Unsaturated α-Amino Acids from Fragmentation of γ- and δ-Lactones","Journal of Organic Chemistry","2004","69","","815","820","10.1021/jo035401m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020812","12.8067","0.0008","7.4743","0.0005","22.3194","0.0014","90","","102.372","0.001","90","","2086.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Daniele Casarini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti","Conformational Studies by Dynamic NMR. 97. Structure, Conformation, Stereodynamics and Enantioseparation of Aryl Substituted Norbornanes","Journal of Organic Chemistry","2004","69","","345","351","10.1021/jo035411n","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020813","8.969","0.001","12.185","0.002","20.729","0.004","90","","90","","90","","2265.4","0.6","100","2","100","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C21 H28 N4 O7 -","- C21 H28 N4 O7 -","- C84 H112 N16 O28 -","4","1","","Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust","Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect","Journal of Organic Chemistry","2004","69","","536","542","10.1021/jo035416k","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020814","8.3587","0.0002","13.4737","0.0003","15.2534","0.0004","90","","90","","90","","1717.88","0.07","100","2","100","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C15 H25 F6 O P -","- C15 H25 F6 O P -","- C60 H100 F24 O4 P4 -","4","1","","Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust","Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect","Journal of Organic Chemistry","2004","69","","536","542","10.1021/jo035416k","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020816","21.517","0.004","7.416","0.002","24.716","0.005","90","","109.82","0.02","90","","3710.4","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 F3 O4 S -","- C18 H19 F3 O4 S -","- C144 H152 F24 O32 S8 -","8","1","","Yu-Shiang Lin; Shi-Yi Chang; Ming-Shyong Yang; Chitneni Prasad Rao; Rama Krishna Peddinti; Yow-Fu Tsai; Chun-Chen Liao","Diels-Alder Reactions of 4-Triflyloxy-2,6,6-trimethyl-2,4-cyclohexadienone. An Expedient Methodology for the Synthesis of Bicyclo[2.2.2]oct-5-en-2-ones and Bicyclo[2.2.2]octa-5,7-dien-2-ones","Journal of Organic Chemistry","2004","69","","447","458","10.1021/jo035429y","","","","","","","0.0837","","","0.2795","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020817","5.585","0.002","15.254","0.006","21.048","0.008","90","","90","","90","","1793.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C72 H92 N4 O24 -","4","1","","Juhienah K. Khalaf; Apurba Datta","An Efficient and Highly Stereocontrolled Route to Bulgecinine hydrochloride.","Journal of Organic Chemistry","2004","69","","387","390","10.1021/jo035441q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020818","15.952","0.002","18.974","0.001","7.667","0.002","90","","90","","90","","2320.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O4 S -","- C23 H30 N2 O4 S -","- C92 H120 N8 O16 S4 -","4","1","","Hideto Miyabe; Yousuke Yamaoka; Takeaki Naito; Yoshiji Takemoto","Palladium-Indium Iodide-Mediated Allylation and Propargylation of Glyoxylic Oxime Ether and Hydrazone: The Role of Water in Directing the Diastereoselective Allylation","Journal of Organic Chemistry","2004","69","","1415","1418","10.1021/jo035442i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020819","6.3512","0.0002","19.182","0.001","22.116","0.0009","90","","91.623","0.003","90","","2693.3","0.2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N2 O5 -","- C6 H12 N2 O5 -","- C72 H144 N24 O60 -","12","3","","Satoshi Shimono; Rui Tamura; Naohiko Ikuma; Tatsuya Takimoto; Naoyuki Kawame; Osamu Tamada; Naoko Sakai; Hiroaki Matsuura; Jun Yamauchi","Preparation and Characterization of New Chiral Nitronyl Nitroxides Bearing a Stereogenic Center in the Imidazolyl Framework","Journal of Organic Chemistry","2004","69","","475","481","10.1021/jo0354443","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020820","6.3253","0.0004","13.884","0.001","10.506","0.001","90","","91.63","0.005","90","","922.3","0.12","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 N2 O8 -","- C16 H24 N2 O8 -","- C32 H48 N4 O16 -","2","1","","Satoshi Shimono; Rui Tamura; Naohiko Ikuma; Tatsuya Takimoto; Naoyuki Kawame; Osamu Tamada; Naoko Sakai; Hiroaki Matsuura; Jun Yamauchi","Preparation and Characterization of New Chiral Nitronyl Nitroxides Bearing a Stereogenic Center in the Imidazolyl Framework","Journal of Organic Chemistry","2004","69","","475","481","10.1021/jo0354443","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020821","14.5155","0.001","6.3411","0.001","20.747","0.001","90","","108.151","0.01","90","","1814.6","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 -","- C22 H32 -","- C88 H128 -","4","1","","Akin Azizoǧlu; Recep Özen; Tuncer Hökelek; Metin Balci","Incorporation of an Allene Unit into α-Pinene: Generation of the Cyclic Allene 2,7,7-Trimethylbicyclo[4.1.1]octa-2,3-diene and Its Dimerization","Journal of Organic Chemistry","2004","69","","1202","1206","10.1021/jo035450z","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020822","11.3287","0.0004","21.4409","0.0008","14.6543","0.0006","90","","102.941","0.001","90","","3469.1","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H33 N7 O7 -","- C39 H33 N7 O7 -","- C156 H132 N28 O28 -","4","1","","Mickaël Pauvert; Patrick Laine; Marco Jonas; Olaf Wiest","Toward an Artificial Oxidative DNA Photolyase","Journal of Organic Chemistry","2004","69","","543","548","10.1021/jo0354600","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020823","15.5081","0.0003","21.0872","0.0004","7.0796","0.0001","90","","90","","90","","2315.18","0.08","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C108 H128 O12 -","4","1","","Ken Tsutsumi; Hiroaki Nakano; Akinori Furutani; Katsunori Endou; Abdurshit Merpuge; Takuya Shintani; Tsumoru Morimoto; Kiyomi Kakiuchi","Novel Enhancement of Diastereoselectivity of [2 + 2] Photocycloaddition of Chiral Cyclohexenones to Ethylene by Adding Naphthalenes","Journal of Organic Chemistry","2004","69","","785","789","10.1021/jo0354746","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020824","11.0801","0.0009","20.731","0.002","10.85","0.0009","90","","90","","90","","2492.2","0.4","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 O3 -","- C29 H36 O3 -","- C116 H144 O12 -","4","1","","Ken Tsutsumi; Hiroaki Nakano; Akinori Furutani; Katsunori Endou; Abdurshit Merpuge; Takuya Shintani; Tsumoru Morimoto; Kiyomi Kakiuchi","Novel Enhancement of Diastereoselectivity of [2 + 2] Photocycloaddition of Chiral Cyclohexenones to Ethylene by Adding Naphthalenes","Journal of Organic Chemistry","2004","69","","785","789","10.1021/jo0354746","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020825","6.7469","0.0003","15.7432","0.0008","23.136","0.0012","90","","90","","90","","2457.5","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N2 O4 -","- C27 H27 Cl N2 O4 -","- C108 H108 Cl4 N8 O16 -","4","1","","James R. Burgeson; Matthew K. Renner; Ingo Hardt; Gregory M. Ferrence; Jean M. Standard; Shawn R. Hitchcock","Toward the Development of a Structurally Novel Class of Chiral Auxiliaries. Conformational Properties of the Aldol Adducts of Oxadiazinones: Observation of Unusual Shielding Effects","Journal of Organic Chemistry","2004","69","","727","734","10.1021/jo035481u","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020826","8.6202","0.0004","10.0407","0.0005","18.1422","0.0009","90","","90","","90","","1570.26","0.13","198","2","198","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Stéphane Trudeau; Pierre Deslongchamps","Novel Synthesis of Highly Functionalized 14-β-Hydroxysteroids Related to Batrachotoxin and Ouabain","Journal of Organic Chemistry","2004","69","","832","838","10.1021/jo0355606","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020827","14.5229","0.0017","7.5825","0.0009","14.5426","0.0018","90","","96.375","0.002","90","","1591.5","0.3","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H44 O8 Si -","- C33 H44 O8 Si -","- C66 H88 O16 Si2 -","2","1","","Stéphane Trudeau; Pierre Deslongchamps","Novel Synthesis of Highly Functionalized 14-β-Hydroxysteroids Related to Batrachotoxin and Ouabain","Journal of Organic Chemistry","2004","69","","832","838","10.1021/jo0355606","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00",""
"4020828","12.9","0.005","7.216","0.002","13.626","0.003","90","","116.23","0.02","90","","1137.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 I O3 -","- C11 H9 I O3 -","- C44 H36 I4 O12 -","4","1","","Shengming Ma; Bin Wu; Zhangjie Shi","An Efficient Synthesis of 4-Halo-5-hydroxyfuran-2(5H)-ones via the Sequential Halolactonization and γ-Hydroxylation of 4-Aryl-2,3-alkadienoic Acids","Journal of Organic Chemistry","2004","69","","1429","1431","10.1021/jo0355698","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020829","9.654","0.002","12.542","0.002","13.779","0.003","102.905","0.003","105.5","0.003","107.444","0.003","1447.7","0.5","100","0.2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H78 Cl6 O4 -","- C64 H78 Cl6 O4 -","- C64 H78 Cl6 O4 -","1","0.5","","Samah Simaan; Silvio E. Biali","A ""Classical"" Tetrahydroxycalix[4]arene Adopting the 1,2-Alternate Conformation","Journal of Organic Chemistry","2004","69","","95","98","10.1021/jo035573j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020830","5.0372","0.0012","23.824","0.005","9.899","0.002","90","","98.69","0.02","90","","1174.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C52 H48 N4 O8 S2 -","2","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0441","","","0.1163","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020831","7.902","0.002","8.256","0.003","8.859","0.003","78.4","0.02","76.73","0.02","87.96","0.03","551","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0327","","","0.091","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020832","8.056","0.005","8.326","0.005","8.751","0.006","77.78","0.05","78.13","0.05","89.88","0.05","560.9","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.049","","","0.1271","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020833","7.889","0.005","8.294","0.005","8.727","0.005","79.7","0.05","74.71","0.04","87.15","0.05","541.9","0.5","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H21 N O5 S -","- C24 H23 N O5 S -","- C24 H23 N O5 S -","1","1","","Julia Pérez-Prieto; Agustín Lahoz; Francisco Boscá; Ramón Martínez-Mañez; Miguel A. Miranda","Stereodifferentiation in the Decay of Triplets and Biradicals Involved in Intramolecular Hydrogen Transfer from Phenols or Indoles to π,π* Aromatic Ketones","Journal of Organic Chemistry","2004","69","","374","381","10.1021/jo0356199","","","","","","","0.0297","","","0.0835","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020834","10.115","0.0001","7.9411","0.0001","12.0742","0.0001","90","","109.922","0.001","90","","911.812","0.016","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","José Luis García Ruano; Carlos Alemparte","Synthesis and Dienophilic Behavior of (S)-2-Cyano-3-(p-tolylsulfinyl)-1,4-benzoquinone","Journal of Organic Chemistry","2004","69","","1405","1408","10.1021/jo035629+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020835","9.152","0.002","10.857","0.001","16.9778","0.0009","90","","104.2","0.008","90","","1635.4","0.6","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Ian W. Davies; Jean-François Marcoux; Jeffery T. Kuethe; Michael D. Lankshear; Jeremy D. O. Taylor; Nancy Tsou; Peter G. Dormer; David L. Hughes; K. N. Houk; Vildan Guner","Demonstrating the Synergy of Synthetic, Mechanistic, and Computational Studies in a Regioselective Aniline Synthesis","Journal of Organic Chemistry","2004","69","","1298","1308","10.1021/jo035677u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020836","9.7224","0.0008","10.4293","0.0009","10.3489","0.0009","90","","104.695","0.002","90","","1015.03","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H32 N4 O5 -","- C19 H32 N4 O5 -","- C38 H64 N8 O10 -","2","1","","I. Nageshwara Rao; Anima Boruah; S. Kiran Kumar; A. C. Kunwar; A. Sivalakshmi Devi; K. Vyas; Krishnan Ravikumar; Javed Iqbal","Synthesis and Conformational Studies of Novel Cyclic Peptides Constrained into a 3~10~ Helical Structure by a Heterochiral D-Pro-L-Pro Dipeptide Template","Journal of Organic Chemistry","2004","69","","2181","2184","10.1021/jo030282w","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020837","18.076","0.0005","8.1759","0.0003","14.5553","0.0005","90","","110.453","0.005","90","","2015.5","0.1","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Sini<sa Marinkovi<c; Cédric Brulé; Norbert Hoffmann; Elise Prost; Jean-Marc Nuzillard; Véonique Bulach","Origin of Chiral Induction in Radical Reactions with the Diastereoisomers (5R)- and (5S)-5-l-Menthyloxyfuran-2[5H]-one","Journal of Organic Chemistry","2004","69","","1646","1651","10.1021/jo030292x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020838","15.7206","0.0011","15.8605","0.0011","18.2303","0.0012","81.082","0.001","72.176","0.001","61.715","0.001","3810.4","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H44 B N8 O4.5 Re -","- C33.75 H36 B N8 O4.5 Re -","- C135 H144 B4 N32 O18 Re4 -","4","2","","Fei Ding; Mark T. Valahovic; Joseph M. Keane; Mitchell R. Anstey; Michal Sabat; Carl O. Trindle; W. Dean Harman","Diastereo- and Enantioselective Dearomatization of Rhenium-Bound Naphthalenes","Journal of Organic Chemistry","2004","69","","2257","2267","10.1021/jo030318k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020839","9.6577","0.0007","14.0528","0.001","15.9393","0.0011","96.439","0.001","103.19","0.001","108.563","0.001","1956.2","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 B N7 O8 Re -","- C38 H47 B N7 O8 Re -","- C76 H94 B2 N14 O16 Re2 -","2","1","","Fei Ding; Mark T. Valahovic; Joseph M. Keane; Mitchell R. Anstey; Michal Sabat; Carl O. Trindle; W. Dean Harman","Diastereo- and Enantioselective Dearomatization of Rhenium-Bound Naphthalenes","Journal of Organic Chemistry","2004","69","","2257","2267","10.1021/jo030318k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020840","14.5102","0.0013","11.6817","0.001","7.7251","0.0007","90","","103.101","0.002","90","","1275.4","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Ben W. Greatrex; Dennis K. Taylor; Edward R. T. Tiekink","A Domino Ring-Opening/Epoxidation of 1,2-Dioxines","Journal of Organic Chemistry","2004","69","","2580","2583","10.1021/jo0303315","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020841","8.271","0.002","7.096","0.002","15.278","0.003","90","","94.74","0.03","90","","893.6","0.4","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl N2 O -","- C20 H23 Cl N2 O -","- C40 H46 Cl2 N4 O2 -","2","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020842","7.871","0.002","10.716","0.003","20.54","0.004","90","","90","","90","","1732.5","0.7","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1S,3R,4S,8S,9R)-9-bromo-cinchonane","","","- C19 H21 Br N2 -","- C19 H21 Br N2 -","- C76 H84 Br4 N8 -","4","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4020843","8.641","0.002","10.306","0.002","17.176","0.003","90","","90","","90","","1529.6","0.5","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","E-Cinchene","","","- C19 H20 N2 -","- C19 H20 N2 -","- C76 H80 N8 -","4","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4020844","6.827","0.002","13.885","0.003","8.545","0.003","90","","90.7","0.03","90","","809.9","0.4","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020845","5.9571","0.0006","14.09","0.0014","13.521","0.0014","90","","96.877","0.002","90","","1126.7","0.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Br2 O2 -","- C10 H14 Br2 O2 -","- C40 H56 Br8 O8 -","4","1","","Andrew G. Myers; Miki Sogi; Michael A. Lewis; Stephen P. Arvedson","Synthetic and Theoretical Studies of Cyclobuta[1,2:3,4]dicyclopentene. Organocobalt Intermediates in the Construction of the Unsaturated Carbon Skeleton and Their Transformation into Novel Cobaltacyclic Complexes by C-C Insertion","Journal of Organic Chemistry","2004","69","","2516","2525","10.1021/jo030368p","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020846","7.3919","0.0011","17.188","0.002","13.0077","0.0018","90","","104.885","0.003","90","","1597.2","0.4","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Co O2 -","- C20 H23 Co O2 -","- C80 H92 Co4 O8 -","4","1","","Andrew G. Myers; Miki Sogi; Michael A. Lewis; Stephen P. Arvedson","Synthetic and Theoretical Studies of Cyclobuta[1,2:3,4]dicyclopentene. Organocobalt Intermediates in the Construction of the Unsaturated Carbon Skeleton and Their Transformation into Novel Cobaltacyclic Complexes by C-C Insertion","Journal of Organic Chemistry","2004","69","","2516","2525","10.1021/jo030368p","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020847","9.7071","0.0019","15.745","0.003","12.423","0.003","90","","95.37","0.03","90","","1890.3","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 B N O7 S -","- C42 H38 B N O7 S -","- C84 H76 B2 N2 O14 S2 -","2","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020848","11.244","0.002","17.11","0.003","21.395","0.004","90","","90","","90","","4116.2","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 B N O7 S -","- C46 H48 B N O7 S -","- C184 H192 B4 N4 O28 S4 -","4","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020849","31.2194","0.0016","31.2194","0.0016","9.953","0.0007","90","","90","","90","","9700.7","1","293","2","293","2","","","","","","","","7","I 4","I 4","79","","","","- C46 H50 B N O7 S Si -","- C46 H50 B N O7 S Si -","- C368 H400 B8 N8 O56 S8 Si8 -","8","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020850","13.8","0.003","16.271","0.003","19.707","0.004","90","","90","","90","","4424.8","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H50 B N O9 S -","- C48 H50 B N O9 S -","- C192 H200 B4 N4 O36 S4 -","4","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020851","13.922","0.003","16.261","0.003","20.062","0.004","90","","90","","90","","4541.6","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H54 B N O9 S -","- C51 H54 B N O9 S -","- C204 H216 B4 N4 O36 S4 -","4","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020852","10.4099","0.0016","10.5","0.0006","11.026","0.004","69.202","0.013","73.85","0.02","81.188","0.008","1080.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Br O4 S -","- C23 H25 Br O4 S -","- C46 H50 Br2 O8 S2 -","2","1","","Veejendra K. Yadav; K. Ganesh Babu; Masood Parvez","Do the Electronic Effects of Sulfur Indeed Control the π-Selectivity of γ-Sulfenyl Enones? An Investigation","Journal of Organic Chemistry","2004","69","","3866","3874","10.1021/jo034608c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020853","10.201","0.003","14.241","0.005","10.733","0.003","90","","97.607","0.017","90","","1545.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C60 H88 O12 S4 -","4","1","","Veejendra K. Yadav; K. Ganesh Babu; Masood Parvez","Do the Electronic Effects of Sulfur Indeed Control the π-Selectivity of γ-Sulfenyl Enones? An Investigation","Journal of Organic Chemistry","2004","69","","3866","3874","10.1021/jo034608c","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020854","7.556","0.0003","11.3326","0.0004","17.5119","0.0007","85.896","0.002","77.828","0.003","73.671","0.002","1406.57","0.09","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H32 O8 -","- C33 H32 O8 -","- C66 H64 O16 -","2","1","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020855","20.504","0.008","12.287","0.0007","16.889","0.0004","90","","120.36","0.05","90","","3671.4","1.4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H40 N4 O6 -","- C39 H40 N4 O6 -","- C156 H160 N16 O24 -","4","0.5","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020856","21.506","0.008","15.279","0.005","21.305","0.007","90","","90","","90","","7001","4","223","2","223","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C65 H88 N20 O14 S4 -","- C47 H50.982 N20 O4.5 S3 -","- C188 H203.928 N80 O18 S12 -","4","0.5","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020857","23.519","0.004","23.519","0.004","10.2647","0.0013","90","","90","","90","","5677.8","1.4","223","2","223","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C85 H144 N24 O24 S8 -","- C86.572 H96 N24 O12 S8 -","- C173.144 H192 N48 O24 S16 -","2","0.25","","Jean-Hugues Fournier; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene","Journal of Organic Chemistry","2004","69","","1762","1775","10.1021/jo0348118","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020858","11.517","0.007","7.363","0.01","18.932","0.011","90","","97.29","0.06","90","","1592","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Br Cl N O2 -","- C16 H21 Br Cl N O2 -","- C64 H84 Br4 Cl4 N4 O8 -","4","1","","P. Ganapati Reddy; Sundarababu Baskaran","Epoxide-Initiated Cationic Cyclization of Azides: A Novel Method for the Stereoselective Construction of 5-Hydroxymethyl Azabicyclic Compounds and Application in the Stereo- and Enantioselective Total Synthesis of (+)- and (-)-Indolizidine 167B and 209D","Journal of Organic Chemistry","2004","69","","3093","3101","10.1021/jo035258x","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020859","8.8511","0.0007","14.341","0.001","9.5857","0.0008","90","","107.198","0.003","90","","1162.4","0.2","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O2 -","- C30 H28 O2 -","- C60 H56 O4 -","2","0.5","","Koji Miki; Tomomi Yokoi; Fumiaki Nishino; Yumiko Kato; Yosuke Washitake; Kouichi Ohe; Sakae Uemura","Catalytic Cyclopropanation of Alkenes via (2-Furyl)carbene Complexes from 1-Benzoyl-cis-1-buten-3-yne with Transition Metal Compounds","Journal of Organic Chemistry","2004","69","","1557","1564","10.1021/jo0352732","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020860","15.9721","0.0003","8.8039","0.0002","11.4004","0.0003","90","","90","","90","","1603.09","0.05","173.15","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Koji Miki; Tomomi Yokoi; Fumiaki Nishino; Yumiko Kato; Yosuke Washitake; Kouichi Ohe; Sakae Uemura","Catalytic Cyclopropanation of Alkenes via (2-Furyl)carbene Complexes from 1-Benzoyl-cis-1-buten-3-yne with Transition Metal Compounds","Journal of Organic Chemistry","2004","69","","1557","1564","10.1021/jo0352732","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020861","25.711","0.002","37.26","0.003","10.0841","0.0009","90","","90","","90","","9660.5","1.5","496","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C74 H119 N20 O21 S5 -","- C83 H86 N20 O13 S5 -","- C332 H344 N80 O52 S20 -","4","1","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of Pentaerythrityl Tetraphenyl Ether","Journal of Organic Chemistry","2004","69","","1776","1787","10.1021/jo035311h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020862","27.7337","0.001","27.7337","0.001","10.4865","0.0004","90","","90","","90","","8065.8","0.5","220","2","220","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C73 H104 N20 O20 -","- C73 H104 N20 O20 -","- C292 H416 N80 O80 -","4","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of Pentaerythrityl Tetraphenyl Ether","Journal of Organic Chemistry","2004","69","","1776","1787","10.1021/jo035311h","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020863","7.412","0.002","16.002","0.002","17.682","0.002","90","","93.58","0.02","90","","2092.9","0.7","298.2","","298.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 O2 Se2 -","- C26 H16 O2 Se2 -","- C104 H64 O8 Se8 -","4","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0464","","","0.0291","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020864","7.042","0.004","17.325","0.004","18.471","0.002","90","","94.41","0.02","90","","2246","1","292.2","","292.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 Cl2 O2 Se2 -","- C26 H14 Cl2 O2 Se2 -","- C104 H56 Cl8 O8 Se8 -","4","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0484","","","0.038","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020865","10.93","0.003","13.673","0.004","8.052","0.002","96.64","0.02","102.2","0.03","106.48","0.02","1107.9","0.6","298.2","","298.2","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 O Se2 -","- C27 H20 O Se2 -","- C54 H40 O2 Se4 -","2","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0401","","","0.0303","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020866","10.598","0.003","11.575","0.003","9.947","0.003","113.59","0.02","95.42","0.02","109.39","0.02","1017.6","0.6","292.2","","292.2","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 Se2 -","- C26 H18 Se2 -","- C52 H36 Se4 -","2","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0342","","","0.026","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020867","10.522","0.002","13.161","0.003","8.029","0.002","92.72","0.02","97.54","0.02","95.4","0.02","1095.4","0.4","299.2","","299.2","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 Cl2 Se2 -","- C26 H16 Cl2 Se2 -","- C52 H32 Cl4 Se4 -","2","1","","Warô Nakanishi; Satoko Hayashi; Norio Itoh","Extended Hypervalent 5c-6e Interactions: Linear Alignment of Five C-Se—O—Se-C Atoms in Anthraquinone and 9-Methoxyanthracene Bearing Arylselanyl Groups at the 1,8-Positions","Journal of Organic Chemistry","2004","69","","1676","1684","10.1021/jo035393+","","","","","","","0.0484","","","0.0911","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020868","8.851","0.001","20.845","0.004","15.702","0.002","90","","130.56","0.01","90","","2201.1","0.5","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 O2 S3 -","- C22 H28 O2 S3 -","- C88 H112 O8 S12 -","4","1","","Hideaki Oshida; Akihiko Ishii; Juzo Nakayama","Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides","Journal of Organic Chemistry","2004","69","","1695","1703","10.1021/jo0354591","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020869","8.872","0.0004","20.951","0.0009","13.5318","0.0006","90","","121.602","0.0018","90","","2142.3","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 O2 S3 -","- C22 H28 O2 S3 -","- C88 H112 O8 S12 -","4","1","","Hideaki Oshida; Akihiko Ishii; Juzo Nakayama","Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides","Journal of Organic Chemistry","2004","69","","1695","1703","10.1021/jo0354591","","","","","","","","","","","","","","","","","","","","","has coordinates","201219","2020-10-21","18:00:00",""
"4020870","13.217","0.004","15.6","0.004","10.223","0.003","90","","90","","90","","2108","1","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O S3 -","- C22 H28 O S3 -","- C88 H112 O4 S12 -","4","1","","Hideaki Oshida; Akihiko Ishii; Juzo Nakayama","Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides","Journal of Organic Chemistry","2004","69","","1695","1703","10.1021/jo0354591","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020871","6.546","0.002","9.62","0.003","17.794","0.005","86.5","0.02","79.83","0.02","71.312","0.011","1044.8","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O S3 -","- C22 H28 O S3 -","- C44 H56 O2 S6 -","2","1","","Hideaki Oshida; Akihiko Ishii; Juzo Nakayama","Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides","Journal of Organic Chemistry","2004","69","","1695","1703","10.1021/jo0354591","","","","","","","","","","","","","","","","","","","","","has coordinates","201219","2020-10-21","18:00:00",""
"4020872","30.408","0.002","32.819","0.002","6.0421","0.0004","90","","90","","90","","6029.8","0.7","293","","293","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H21 Cl O3.5 P3 Pt -","- C6 H20 Cl O3.5 P3 Pt -","- C96 H320 Cl16 O56 P48 Pt16 -","16","1","","Xiao-bin Jiang; Adriaan J. Minnaard; Ben L. Feringa; Johannes G. de Vries","Platinum-Catalyzed Selective Hydration of Hindered Nitriles and Nitriles with Acid- or Base-Sensitive Groups","Journal of Organic Chemistry","2004","69","","2327","2331","10.1021/jo035487j","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020873","10.672","0.003","13.741","0.004","20.206","0.006","109.772","0.007","99.286","0.006","92.006","0.006","2739.1","1.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C78 H64 -","- C78 H64 -","- C156 H128 -","2","1","","Carlos E. Godinez; Gerardo Zepeda; Christopher J. Mortko; Hung Dang; Miguel A. García-Garibay","Molecular Crystals with Moving Parts: Synthesis, Characterization, and Crystal Packing of Molecular Gyroscopes with Methyl-Substituted Triptycyl Frames","Journal of Organic Chemistry","2004","69","","1652","1662","10.1021/jo035517i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020874","9.4694","0.0011","16.0213","0.0018","21.933","0.003","81.887","0.002","78.878","0.002","89.388","0.002","3231.9","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C80 H76 Br2 -","- C80 H76 Br2 -","- C160 H152 Br4 -","2","1","","Carlos E. Godinez; Gerardo Zepeda; Christopher J. Mortko; Hung Dang; Miguel A. García-Garibay","Molecular Crystals with Moving Parts: Synthesis, Characterization, and Crystal Packing of Molecular Gyroscopes with Methyl-Substituted Triptycyl Frames","Journal of Organic Chemistry","2004","69","","1652","1662","10.1021/jo035517i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020875","5.986","0.004","10.321","0.005","19.807","0.007","90","","90","","90","","1223.7","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N O5 -","- C11 H17 N O5 -","- C44 H68 N4 O20 -","4","1","","François-Xavier Felpin; Kamal Boubekeur; Jacques Lebreton","First Total Synthesis of 1-O-β-D-Glucopyranosyl-5-deoxyadenophorine and Its Aglycon Congener: Determination of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","1497","1503","10.1021/jo035522m","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020876","11.8157","0.0011","8.0795","0.0008","14.0426","0.0013","90","","103.056","0.002","90","","1305.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 I N4 O -","- C12 H13 I N4 O -","- C48 H52 I4 N16 O4 -","4","1","","Chia-Hui Chien; Man-kit Leung; Jen-Kuan Su; Gene-Hsiang Li; Yi-Hung Liu; Yu Wang","Substituent Effects on Pyrid-2-yl Ureas toward Intramolecular Hydrogen Bonding and Cytosine Complexation","Journal of Organic Chemistry","2004","69","","1866","1871","10.1021/jo0355808","","","","","","","0.0131","","","0.0332","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020877","7.67","0.0002","12.2458","0.0003","16.1077","0.0004","70.079","0.001","87.329","0.001","72.545","0.001","1354.29","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 I N4 O -","- C12 H13 I N4 O -","- C48 H52 I4 N16 O4 -","4","2","","Chia-Hui Chien; Man-kit Leung; Jen-Kuan Su; Gene-Hsiang Li; Yi-Hung Liu; Yu Wang","Substituent Effects on Pyrid-2-yl Ureas toward Intramolecular Hydrogen Bonding and Cytosine Complexation","Journal of Organic Chemistry","2004","69","","1866","1871","10.1021/jo0355808","","","","","","","0.071","","","0.1797","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020878","6.3446","0.0014","11.258","0.003","11.961","0.003","84.948","0.004","80.144","0.004","87.036","0.004","837.9","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Sidika Polat Cakir; Keith T. Mead","Stereoselective Approach to C-Aryl Pyranoside Synthesis Which Addresses the Problem of C7-Substitution in Blepharocalyxin E","Journal of Organic Chemistry","2004","69","","2203","2205","10.1021/jo0355909","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020879","8.82","0.003","8.86","0.003","9.678","0.003","66.573","0.006","85.647","0.007","74.639","0.006","668.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Sidika Polat Cakir; Keith T. Mead","Stereoselective Approach to C-Aryl Pyranoside Synthesis Which Addresses the Problem of C7-Substitution in Blepharocalyxin E","Journal of Organic Chemistry","2004","69","","2203","2205","10.1021/jo0355909","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020880","9.2978","0.001","22.629","0.003","33.188","0.004","90","","92.999","0.002","90","","6973.1","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C83 H61 Br3 Cl4 -","- C83 H61 Br3 Cl4 -","- C332 H244 Br12 Cl16 -","4","1","","Rajendra Rathore; Carrie L. Burns; Ilia A. Guzei","Synthesis and Isolation of Polytrityl Cations by Utilizing Hexaphenylbenzene and Tetraphenylmethane Scaffolds","Journal of Organic Chemistry","2004","69","","1524","1530","10.1021/jo035598i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00",""
"4020881","16.2423","0.0004","7.2172","0.0003","19.3736","0.0006","90","","94.098","0.002","90","","2265.24","0.13","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 O6 -","- C28 H28 O6 -","- C112 H112 O24 -","4","0.5","","Michael S. Leonard; Patrick J. Carroll; Madeleine M. Joullié","Synthesis of a Pondaplin Dimer and Trimer. Aromatic Interactions in Novel Macrocycles","Journal of Organic Chemistry","2004","69","","2526","2531","10.1021/jo0356006","","","","","","","0.0444","","","0.1089","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020882","16.367","0.002","16.367","0.002","23.64","0.003","90","","90","","120","","5483.9","1.1","143","1","143","2","","","","","","","","3","P 61","P 61","169","","","","- C42 H42 O9 -","- C42 H42 O9 -","- C252 H252 O54 -","6","1","","Michael S. Leonard; Patrick J. Carroll; Madeleine M. Joullié","Synthesis of a Pondaplin Dimer and Trimer. Aromatic Interactions in Novel Macrocycles","Journal of Organic Chemistry","2004","69","","2526","2531","10.1021/jo0356006","","","","","","","0.0514","","","0.1352","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020883","6.1267","0.0012","19.345","0.004","16.534","0.003","90","","94.59","0.03","90","","1953.3","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B N O3 -","- C22 H24 B N O3 -","- C88 H96 B4 N4 O12 -","4","1","","Radek Pohl; Victor A. Montes; Joseph Shinar; Pavel Anzenbacher Jr.","Red-Green-Blue Emission from Tris(5-aryl-8-quinolinolate)Al(III) Complexes","Journal of Organic Chemistry","2004","69","","1723","1725","10.1021/jo035602q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020884","15.3827","0.0007","7.0604","0.0003","12.8704","0.0006","90","","91.103","0.001","90","","1397.57","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N4 O -","- C15 H24 N4 O -","- C60 H96 N16 O4 -","4","1","","Lei Yao; Brenton T. Smith; Jeffrey Aubé","Base-Promoted Reactions of Bridged Ketones and 1,3- and 1,4-Haloalkyl Azides: Competitive Alkylation vs Azidation Reactions of Ketone Enolates","Journal of Organic Chemistry","2004","69","","1720","1722","10.1021/jo0356098","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020885","21.31","0.02","9.721","0.008","8.755","0.005","89","","89","","90","","1813.4","0.2","296.1","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H16 O -","- C11 H16 O -","- C88 H128 O8 -","8","1","","Naoki Kise","Theoretical Study of Electroreductive Intramolecular Coupling of Nonconjugated Olefinic and Aromatic Ketones","Journal of Organic Chemistry","2004","69","","2147","2152","10.1021/jo0356255","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020886","10.527","0.001","12.1172","0.001","10.822","0.001","90","","96.238","0.01","90","","1372.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Marta Rosillo; Gema Domínguez; Luis Casarrubios; Ulises Amador; Javier Pérez-Castells","Tandem Enyne Metathesis-Diels-Alder Reaction for Construction of Natural Product Frameworks","Journal of Organic Chemistry","2004","69","","2084","2093","10.1021/jo0356311","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020887","10.681","0.009","10.761","0.003","17.409","0.004","74.34","0.07","72.41","0.05","71.5","0.11","1775.1","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 N3 O6 P S -","- C32 H48 N3 O6 P S -","- C64 H96 N6 O12 P2 S2 -","2","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020888","11.439","0.002","14.028","0.003","19.909","0.002","76.23","0.04","75.65","0.04","80.66","0.02","2987.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H42 Cl N5 O4 P2 -","- C20 H42 Cl N5 O4 P2 -","- C80 H168 Cl4 N20 O16 P8 -","4","2","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020889","18.2506","0.0018","9.7929","0.0016","18.982","0.002","90","","109.54","0.04","90","","3197.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Cl F3 N5 O5 P2 -","- C22 H45 Cl F3 N5 O5 P2 -","- C88 H180 Cl4 F12 N20 O20 P8 -","4","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020890","15.1196","0.0018","17.9591","0.0016","25.632","0.002","90","0.04","90","0.04","90","0.02","6959.9","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C31 H42 Cl2 N3 O7 P -","- C31 H42 Cl2 N3 O7 P -","- C248 H336 Cl16 N24 O56 P8 -","8","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020891","12.4123","0.0007","16.2723","0.001","17.5862","0.001","63.796","0.001","70.904","0.001","79.273","0.001","3007.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62.5 H70 N3 O9 P -","- C62.5 H70 N3 O9 P -","- C125 H140 N6 O18 P2 -","2","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020892","9.6724","0.0008","11.9518","0.001","22.0645","0.0019","80.273","0.002","86.782","0.002","73.459","0.002","2409.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H124 N6 O18 P2 -","- C97 H123 N6 O18 P2 -","- C97 H123 N6 O18 P2 -","1","0.5","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020893","17.05","0.002","10.0336","0.0012","19.816","0.002","90","","92.216","0.002","90","","3387.5","0.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C62 H88 N6 O12 P2 -","- C62 H88 N6 O12 P2 -","- C124 H176 N12 O24 P4 -","2","0.5","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178386","2020-10-21","18:00:00",""
"4020894","20.7843","0.0012","10.6218","0.0006","16.7361","0.001","90","","99.05","0.001","90","","3648.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 N2 O7 P S -","- C36 H47 N2 O7 P S -","- C144 H188 N8 O28 P4 S4 -","4","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020895","15.563","0.003","9.938","0.002","7.943","0.002","90","","97.24","0.03","90","","1218.7","0.4","140","1","140","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","1","","Robert A. Stockman; Alex Sinclair; Louise G. Arini; Peter Szeto; David L. Hughes","A Two-Directional Synthesis of (±)-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2004","69","","1598","1602","10.1021/jo035639a","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020896","28.183","0.006","9.362","0.0019","18.789","0.004","90","","98.44","0.03","90","","4903.7","1.7","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C208 H272 N48 O16 -","16","2","","Robert A. Stockman; Alex Sinclair; Louise G. Arini; Peter Szeto; David L. Hughes","A Two-Directional Synthesis of (±)-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2004","69","","1598","1602","10.1021/jo035639a","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020897","4.5856","0.001","14.54","0.003","10.52","0.002","90","","95.69","0.004","90","","698","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N3 O4 -","- C12 H21 N3 O4 -","- C24 H42 N6 O8 -","2","1","","D. Srinivasa Reddy; David Vander Velde; Jeffrey Aubé","Synthesis and Conformational Studies of Dipeptides Constrained by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers","Journal of Organic Chemistry","2004","69","","1716","1719","10.1021/jo035683q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020898","9.394","0.003","14.776","0.004","10.445","0.003","90","","107.214","0.006","90","","1384.9","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N3 O4 -","- C12 H21 N3 O4 -","- C48 H84 N12 O16 -","4","2","","D. Srinivasa Reddy; David Vander Velde; Jeffrey Aubé","Synthesis and Conformational Studies of Dipeptides Constrained by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers","Journal of Organic Chemistry","2004","69","","1716","1719","10.1021/jo035683q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020899","5.829","0.001","10.355","0.002","14.429","0.003","90","","98.19","0.02","90","","862","0.3","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Cl2 O4 S4 -","- C15 H4 Cl2 O4 S4 -","- C30 H8 Cl4 O8 S8 -","2","0.5","","Frédéric Dumur; Nicolas Gautier; Nuria Gallego-Planas; Yücel Şahin; Eric Levillain; Nicolas Mercier; Piétrick Hudhomme; Matteo Masino; Alberto Girlando; Vega Lloveras; José Vidal-Gancedo; Jaume Veciana; Concepció Rovira","Novel Fused D-A Dyad and A-D-A Triad Incorporating Tetrathiafulvalene and p-Benzoquinone","Journal of Organic Chemistry","2004","69","","2164","2177","10.1021/jo035689f","","","","","","","","","","","","","","","","","","","","","has coordinates","178386","2020-10-21","18:00:00",""
"4020900","16.285","0.002","26.787","0.004","5.125","0.0006","90","","98.05","0.01","90","","2213.6","0.5","298.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H30 F2 N2 O3 -","- C21 H30 F2 N2 O3 -","- C84 H120 F8 N8 O12 -","4","2","","Akira Otaka; Junko Watanabe; Akira Yukimasa; Yoshikazu Sasaki; Hideaki Watanabe; Takayoshi Kinoshita; Shinya Oishi; Hirokazu Tamamura; Nobutaka Fujii","SmI~2~-Mediated Reduction of γ,γ-Difluoro-α,β-enoates with Application to the Synthesis of Functionalized (Z)-Fluoroalkene-Type Dipeptide Isosteres","Journal of Organic Chemistry","2004","69","","1634","1645","10.1021/jo035709d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020901","20.228","0.003","24.777","0.006","5.007","0.002","90.02","0.03","90","0.02","90.02","0.02","2509","1","298.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 F2 N2 O3 -","- C25 H30 F2 N2 O3 -","- C100 H120 F8 N8 O12 -","4","1","","Akira Otaka; Junko Watanabe; Akira Yukimasa; Yoshikazu Sasaki; Hideaki Watanabe; Takayoshi Kinoshita; Shinya Oishi; Hirokazu Tamamura; Nobutaka Fujii","SmI~2~-Mediated Reduction of γ,γ-Difluoro-α,β-enoates with Application to the Synthesis of Functionalized (Z)-Fluoroalkene-Type Dipeptide Isosteres","Journal of Organic Chemistry","2004","69","","1634","1645","10.1021/jo035709d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020902","18.7908","0.0004","18.7908","0.0004","8.8313","0.0003","90","","90","","90","","3118.28","0.14","150","1","150","1","","","","","","","","4","I 4","I 4","79","","","","- C18 H18.5 O1.25 S -","- C18 H18 O1.25 S -","- C144 H144 O10 S8 -","8","1","","Paul Leong; Mark Lautens","Rhodium-Catalyzed Asymmetric Ring Opening of Oxabicyclic Alkenes with Sulfur Nucleophiles","Journal of Organic Chemistry","2004","69","","2194","2196","10.1021/jo035730e","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020903","12.0277","0.0008","8.1746","0.0006","32.402","0.002","90","","92.259","0.002","90","","3183.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21.5 N O3.25 S -","- C15 H21 N O3.25 S -","- C120 H168 N8 O26 S8 -","8","2","","Perdip S. Bahia; John S. Snaith","Synthesis of 3-Substituted 4-Piperidinones via a One-Pot Tandem Oxidation-Cyclization-Oxidation Process: Stereodivergent Reduction to 3,4-Disubstituted Piperidines","Journal of Organic Chemistry","2004","69","","3226","3229","10.1021/jo0357418","","","","","","","0.0701","","","0.1518","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020904","10.4657","0.0005","10.8886","0.0006","12.9242","0.0007","90","","90","","90","","1472.8","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Waldemar Adam; Sara G. Bosio; Nicholas J. Turro; Barbara T. Wolff","Enecarbamates as Selective Substrates in Oxidations: Chiral-Auxiliary-Controlled Mode Selectivity and Diastereoselectivity in the [2+2] Cycloaddition and Ene Reaction of Singlet Oxygen and in the Epoxidation by DMD and mCPBA","Journal of Organic Chemistry","2004","69","","1704","1715","10.1021/jo035745c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020905","8.264","0.0007","11.829","0.001","12.102","0.001","90","","90","","90","","1183","0.2","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition between Propargylic Alcohols and Cyclic 1,3-Dicarbonyl Compounds via an Allenylidene Intermediate","Journal of Organic Chemistry","2004","69","","3408","3412","10.1021/jo0357465","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020906","16.5752","0.0002","17.3959","0.0001","7.3023","0.0001","90","","90","","90","","2105.55","0.03","296.1","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C104 H80 O24 -","8","1","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition between Propargylic Alcohols and Cyclic 1,3-Dicarbonyl Compounds via an Allenylidene Intermediate","Journal of Organic Chemistry","2004","69","","3408","3412","10.1021/jo0357465","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020907","5.232","0.003","9.09","0.004","32.408","0.016","90","","90","","90","","1541.4","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O5 S -","- C12 H23 N O5 S -","- C48 H92 N4 O20 S4 -","4","1","","T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh","Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition","Journal of Organic Chemistry","2004","69","","1858","1865","10.1021/jo035747x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020908","5.2293","0.0006","9.0539","0.001","32.279","0.004","90","","90","","90","","1528.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O5 S -","- C12 H23 N O5 S -","- C48 H92 N4 O20 S4 -","4","1","","T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh","Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition","Journal of Organic Chemistry","2004","69","","1858","1865","10.1021/jo035747x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020909","12.159","0.006","12.159","0.006","19.086","0.013","90","","90","","90","","2821","3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 N4 O2 -","- C11 H20 N4 O2 -","- C88 H160 N32 O16 -","8","1","","T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh","Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition","Journal of Organic Chemistry","2004","69","","1858","1865","10.1021/jo035747x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020910","3.7763","0.0002","27.0492","0.0011","12.9087","0.0004","90","","94.877","0.003","90","","1313.8","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N4 S -","- C16 H10 N4 S -","- C64 H40 N16 S4 -","4","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020911","3.8113","0.0013","24.552","0.006","14.056","0.005","90","","94.123","0.011","90","","1311.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N4 S -","- C16 H10 N4 S -","- C64 H40 N16 S4 -","4","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020912","7.3213","0.0003","14.3519","0.0005","12.4801","0.0006","90","","90.206","0.003","90","","1311.33","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N4 S -","- C16 H10 N4 S -","- C64 H40 N16 S4 -","4","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020913","8.7475","0.0013","11.3927","0.0015","14.991","0.002","67.544","0.017","77.59","0.02","67.938","0.018","1275.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 F6 N4 O7 S3 -","- C20 H16 F6 N4 O7 S3 -","- C40 H32 F12 N8 O14 S6 -","2","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020914","22.3292","0.0018","15.1543","0.001","8.8149","0.0008","90","","90","","90","","2982.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H24 Br2 N4 O3 S -","- C30 H24 Br2 N4 O3 S -","- C120 H96 Br8 N16 O12 S4 -","4","0.5","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020915","17.386","0.01","6.908","0.003","20.683","0.012","90","","113.937","0.007","90","","2270","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl2 N4 O7 S -","- C22 H18 Cl2 N4 O7 S -","- C88 H72 Cl8 N16 O28 S4 -","4","1","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020916","20.374","0.012","7.055","0.003","21.396","0.01","90","","96.54","0.04","90","","3056","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H23 N11 O3 S2 -","- C35 H23 N11 O3 S2 -","- C140 H92 N44 O12 S8 -","4","0.5","","Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita","Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives","Journal of Organic Chemistry","2004","69","","2953","2958","10.1021/jo035800h","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020917","9.561","0.0019","11.203","0.002","11.353","0.002","90","","94.61","0.03","90","","1212.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","","Iwona Kudyba; Jerzy Raczko; Janusz Jurczak","Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate","Journal of Organic Chemistry","2004","69","","2844","2850","10.1021/jo0358269","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020918","7.409","0.001","14.055","0.003","19.276","0.004","90","","90","","90","","2007.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C76 H96 N8 O24 S4 -","4","1","","Iwona Kudyba; Jerzy Raczko; Janusz Jurczak","Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate","Journal of Organic Chemistry","2004","69","","2844","2850","10.1021/jo0358269","","","","","","","0.0485","","","0.1105","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020919","10.363","0.002","14.057","0.003","15.488","0.003","90","","90","","90","","2256.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Iwona Kudyba; Jerzy Raczko; Janusz Jurczak","Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate","Journal of Organic Chemistry","2004","69","","2844","2850","10.1021/jo0358269","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020920","5.5024","0.0002","12.1266","0.0006","12.4407","0.0006","86.776","0.009","79.404","0.008","78.122","0.008","798.34","0.07","173.2","","173.2","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","1","","Shuang Chen; Brian O. Patrick; John R. Scheffer","Enantioselective Photochemical Synthesis of a Simple Alkene via the Solid State Ionic Chiral Auxiliary Approach","Journal of Organic Chemistry","2004","69","","2711","2718","10.1021/jo0358271","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020921","13.8002","0.0017","6.3523","0.0007","13.4469","0.0018","90","","95.137","0.007","90","","1174.1","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C52 H66 N2 O6 -","2","1","","Shuang Chen; Brian O. Patrick; John R. Scheffer","Enantioselective Photochemical Synthesis of a Simple Alkene via the Solid State Ionic Chiral Auxiliary Approach","Journal of Organic Chemistry","2004","69","","2711","2718","10.1021/jo0358271","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178387","2020-10-21","18:00:00",""
"4020922","13.1235","0.0016","6.1476","0.0005","14.9542","0.0019","90","","100.931","0.006","90","","1184.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H39 N O3 -","- C26 H39 N O3 -","- C52 H78 N2 O6 -","2","1","","Shuang Chen; Brian O. Patrick; John R. Scheffer","Enantioselective Photochemical Synthesis of a Simple Alkene via the Solid State Ionic Chiral Auxiliary Approach","Journal of Organic Chemistry","2004","69","","2711","2718","10.1021/jo0358271","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178387","2020-10-21","18:00:00",""
"4020923","6.932","0.003","15.657","0.006","10.35","0.004","90","","100.866","0.007","90","","1103.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C52 H40 N8 S4 -","4","1","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young, Jr.","Fused-Ring Thiadiazines: Preparation and Crystallographic Characterization of 3-Phenyl Derivative of Benzo-, Pyridio[2,3-e]-, Pyrazino[2,3-e]-, and Tetrafluorobenzo-[1,2,4]thiadiazines","Journal of Organic Chemistry","2004","69","","2551","2561","10.1021/jo035835h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020924","8.4404","0.0014","12.304","0.002","20.759","0.003","80.261","0.003","81.795","0.003","85.807","0.003","2100.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","03141b","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C88 H64 N32 S8 -","8","4","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young, Jr.","Fused-Ring Thiadiazines: Preparation and Crystallographic Characterization of 3-Phenyl Derivative of Benzo-, Pyridio[2,3-e]-, Pyrazino[2,3-e]-, and Tetrafluorobenzo-[1,2,4]thiadiazines","Journal of Organic Chemistry","2004","69","","2551","2561","10.1021/jo035835h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020925","14.189","0.005","6.783","0.003","24.549","0.009","90","","102.298","0.006","90","","2308.5","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03140a","","","- C13 H6 F4 N2 S -","- C13 H6 F4 N2 S -","- C104 H48 F32 N16 S8 -","8","1","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young, Jr.","Fused-Ring Thiadiazines: Preparation and Crystallographic Characterization of 3-Phenyl Derivative of Benzo-, Pyridio[2,3-e]-, Pyrazino[2,3-e]-, and Tetrafluorobenzo-[1,2,4]thiadiazines","Journal of Organic Chemistry","2004","69","","2551","2561","10.1021/jo035835h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020926","10.5789","0.0002","5.1685","0.0001","36.6393","0.0007","90","","90","","90","","2003.33","0.07","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4","","","- C9 H12 O S2 -","- C9 H12 O S2 -","- C72 H96 O8 S16 -","8","2","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020927","14.1411","0.0002","17.8445","0.0001","7.7811","0.0001","90","","96.917","0.001","90","","1949.2","0.04","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(2)","","","- C12 H8 S4 -","- C12 H8 S4 -","- C72 H48 S24 -","6","1.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020928","9.5766","0.0002","9.0725","0.0002","16.959","0.0003","90","","90","","90","","1473.46","0.05","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2(3)","","","- C14 H12 S4 -","- C14 H12 S4 -","- C56 H48 S16 -","4","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020929","12.1967","0.0003","14.2401","0.0001","10.5372","0.0002","90","","110.299","0.001","90","","1716.46","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(4)","","","- C16 H16 S4 -","- C16 H16 S4 -","- C64 H64 S16 -","4","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020930","4.5655","0.0004","17.0633","0.0013","13.2346","0.0011","90","","91.344","0.003","90","","1030.72","0.15","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(5)","","","- C18 H20 S4 -","- C18 H20 S4 -","- C36 H40 S8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020931","9.0535","0.0002","17.2585","0.0003","13.7264","0.0003","90","","94.414","0.001","90","","2138.39","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(5)toluene","","","- C21.5 H24 S4 -","- C21.5 H24 S4 -","- C86 H96 S16 -","4","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020932","7.8752","0.0005","10.7861","0.0007","8.9165","0.0006","90","","109.52","0.002","90","","713.86","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9(2)","","","- C12 H8 Se4 -","- C12 H8 Se4 -","- C24 H16 Se8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020933","8.849","0.0001","9.993","0.0003","9.089","0.0003","90","","104.429","0.002","90","","778.37","0.04","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9(3)","","","- C14 H12 Se4 -","- C14 H12 Se4 -","- C28 H24 Se8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020934","9.4801","0.0011","11.537","0.0015","8.7178","0.0012","90","","116.882","0.004","90","","850.45","0.19","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9(4)","","","- C16 H16 Se4 -","- C16 H16 Se4 -","- C32 H32 Se8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020935","4.5218","0.0002","17.4976","0.0007","13.9348","0.0006","90","","91.896","0.001","90","","1101.93","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Se4 -","- C22 H20 Se4 -","- C44 H40 Se8 -","2","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020936","19.2152","0.0011","11.9501","0.0007","10.3237","0.0006","90","","110.549","0.001","90","","2219.7","0.2","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","8(3)","","","- C21 H18 S6 -","- C20.999 H18 S6 -","- C83.996 H72 S24 -","4","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178387","2020-10-21","18:00:00",""
"4020937","6.2201","0.0002","14.9367","0.0005","14.375","0.0005","90","","102.156","0.001","90","","1305.6","0.08","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","8(4)","","","- C24 H24 S6 -","- C24 H24 S6 -","- C48 H48 S12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020938","13.5312","0.0002","14.4788","0.0001","18.022","0.0002","81.744","0.001","84.148","0.001","66.159","0.001","3192.28","0.06","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 S6 -","- C31 H32 S6 -","- C124 H128 S24 -","4","2","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020939","24.0134","0.0001","24.0134","0.0001","9.8698","0.0001","90","","90","","120","","4928.86","0.06","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 S6 -","- C32.09 H30 S6 -","- C192.54 H180 S36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020940","9.6703","0.0001","14.3531","0.0001","14.6377","0.0002","114.018","0.001","102.792","0.001","102.077","0.001","1704.47","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H38 S6 -","- C34 H38 S6 -","- C68 H76 S12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020941","44.8648","0.0003","5.4949","0.0001","25.2753","0.0004","90","","90","","90","","6231.06","0.16","298","2","298","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H24 Se6 -","- C31 H24 Se6 -","- C248 H192 Se48 -","8","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020942","9.0393","0.0004","14.0025","0.0006","14.8178","0.0006","63.236","0.001","78.332","0.001","84.873","0.001","1640","0.12","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 Se6 -","- C31 H32 Se6 -","- C62 H64 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020943","24.0399","0.0006","24.0399","0.0006","10.2535","0.0004","90","","90","","120","","5131.8","0.3","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 Se6 -","- C33.39 H30 Se6 -","- C200.34 H180 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020944","23.907","0.002","23.907","0.002","10.123","0.001","90","","90","","120","","5010.6","0.9","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H30 Se6 -","- C27 H30 Se6 -","- C162 H180 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020945","24.3194","0.0004","24.3194","0.0004","10.0783","0.0003","90","","90","","120","","5162.1","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31 H34 S Se6 -","- C31.08 H30 S1.02 Se6 -","- C186.48 H180 S6.12 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020946","24.5363","0.0006","24.5363","0.0006","10.0297","0.0003","90","","90","","120","","5229.2","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H37 N Se6 -","- C32.94 H30 N0.99 Se6 -","- C197.64 H180 N5.94 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020947","24.5326","0.0005","24.5326","0.0005","9.9793","0.0003","90","","90","","120","","5201.4","0.2","200","2","200","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C33 H36 Se6 -","- C33.06 H33 Se6 -","- C198.36 H198 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020948","24.5349","0.0005","24.5349","0.0005","10.0177","0.0003","90","","90","","120","","5222.4","0.2","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","10(5)zeta_chlorobenzene","","","- C33 H35 Cl Se6 -","- C32.94 H34.95 Cl0.99 Se6 -","- C197.64 H209.7 Cl5.94 Se36 -","6","0.333333","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020949","9.8742","0.0002","14.3502","0.0004","14.4637","0.0004","111.956","0.001","102.84","0.001","103.67","0.001","1733.81","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","10(5)eta_toluene","","","- C34 H38 Se6 -","- C34 H38 Se6 -","- C68 H76 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020950","9.9951","0.0003","14.4483","0.0004","14.512","0.0004","113.286","0.001","103.989","0.001","102.957","0.001","1743.54","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","10(5)theta_nitrobenzene","","","- C33 H35 N O2 Se6 -","- C33 H35 N O2 Se6 -","- C66 H70 N2 O4 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020951","9.8727","0.0002","14.3876","0.0003","14.4893","0.0001","111.848","0.001","102.42","0.001","103.766","0.001","1747.02","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","10(5)iota_anisol","","","- C34 H38 O Se6 -","- C34 H38 O Se6 -","- C68 H76 O2 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020952","9.7177","0.0005","14.7028","0.0008","14.9561","0.0008","114.526","0.002","103.21","0.001","101.399","0.001","1786.45","0.16","200","2","200","2","","","","","","","","3","P -1","-P 1","2","10(5)kappa_p-xylene","","","- C35 H40 Se6 -","- C35 H40 Se6 -","- C70 H80 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020953","10.0311","0.0001","14.3847","0.0001","14.4305","0.0002","111.406","0.001","105.546","0.001","98.728","0.001","1793.93","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","10(5)lambda_brom-anisol","","","- C34 H37 Br O Se6 -","- C34 H37 Br O Se6 -","- C68 H74 Br2 O2 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020954","9.65","0.0002","14.809","0.0003","14.9244","0.0001","111.734","0.001","101.556","0.002","100.583","0.001","1861.49","0.06","200","2","200","2","","","","","","","","3","P -1","-P 1","2","10(5)mu_mesitylene","","","- C36 H42 Se6 -","- C36 H42 Se6 -","- C72 H84 Se12 -","2","1","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020955","8.1676","0.0004","10.8642","0.0005","15.1032","0.0008","90","","98.682","0.002","90","","1324.82","0.11","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C60 H100 O6 -","2","1","","Bang Yeon Hwang; Bao-Ning Su; Heebyung Chai; Qiuwen Mi; Leonardus B. S. Kardono; Johar J. Afriastini; Soedarsono Riswan; Bernard D. Santarsiero; Andrew D. Mesecar; Robert Wild; Craig R. Fairchild; Gregory D. Vite; William C. Rose; Norman R. Farnsworth; Geoffrey A. Cordell; John M. Pezzuto; Steven M. Swanson; A. Douglas Kinghorn","Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives from Aglaia silvestris","Journal of Organic Chemistry","2004","69","","3350","3358","10.1021/jo040120f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020956","17.7406","0.0005","14.9259","0.0005","17.8418","0.0007","90","","111.377","0.001","90","","4399.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H44 Br2 O15 -","- C48 H44 Br2 O15 -","- C192 H176 Br8 O60 -","4","2","","Bang Yeon Hwang; Bao-Ning Su; Heebyung Chai; Qiuwen Mi; Leonardus B. S. Kardono; Johar J. Afriastini; Soedarsono Riswan; Bernard D. Santarsiero; Andrew D. Mesecar; Robert Wild; Craig R. Fairchild; Gregory D. Vite; William C. Rose; Norman R. Farnsworth; Geoffrey A. Cordell; John M. Pezzuto; Steven M. Swanson; A. Douglas Kinghorn","Silvestrol and Episilvestrol, Potential Anticancer Rocaglate Derivatives from Aglaia silvestris","Journal of Organic Chemistry","2004","69","","3350","3358","10.1021/jo040120f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020957","28.704","0.002","12.6928","0.001","14.2236","0.001","90","","90","","90","","5182.1","0.7","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C50 H66 O7 S4 -","- C50 H66 O7 S4 -","- C200 H264 O28 S16 -","4","0.5","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020958","15.327","0.002","15.272","0.002","27.561","0.004","90","","96.322","0.012","90","","6412.1","1.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H74 O7 S4 -","- C62 H74 O7 S4 -","- C248 H296 O28 S16 -","4","1","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020959","40.26","0.005","14.164","0.003","29.4749","0.001","90","","93.712","0.012","90","","16773","4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H74 O11 S4 -","- C56 H74 O11 S4 -","- C448 H592 O88 S32 -","8","2","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020960","15.2781","0.001","12.2052","0.0015","28.622","0.002","90","","103.12","0.02","90","","5197.9","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H70 O8 S4 -","- C52 H70 O8 S4 -","- C208 H280 O32 S16 -","4","1","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020961","13.986","0.002","14.416","0.002","33.061","0.006","92.229","0.016","91.131","0.014","99.872","0.01","6559.8","1.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H74 O7 S4 -","- C62 H74 O7 S4 -","- C248 H296 O28 S16 -","4","2","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020962","13.7693","0.001","18.219","0.002","20.773","0.002","77.239","0.015","88.394","0.012","86.938","0.012","5074.5","0.9","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H66 O8 S4 -","- C50 H66 O8 S4 -","- C200 H264 O32 S16 -","4","2","","Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt","Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns","Journal of Organic Chemistry","2004","69","","3928","3936","10.1021/jo0401220","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020963","7.65","0.003","8.493","0.003","14.207","0.005","90","","90","","90","","923.1","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","","Gavin O'Mahony; Mark Nieuwenhuyzen; Paul Armstrong; Paul J. Stevenson","Rapid Stereoselective Access to Key Pumiliotoxin Precursors from a Common Intermediate","Journal of Organic Chemistry","2004","69","","3968","3971","10.1021/jo0497205","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020964","6.474","0.0015","13.389","0.003","19.734","0.005","90","","90","","90","","1710.6","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C72 H104 N8 O16 -","8","2","","Gavin O'Mahony; Mark Nieuwenhuyzen; Paul Armstrong; Paul J. Stevenson","Rapid Stereoselective Access to Key Pumiliotoxin Precursors from a Common Intermediate","Journal of Organic Chemistry","2004","69","","3968","3971","10.1021/jo0497205","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020965","18.886","0.002","9.2676","0.0016","27.997","0.003","90","","92.905","0.007","90","","4893.9","1.2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N2 O4 S Se -","- C25 H24 N2 O4 S Se -","- C200 H192 N16 O32 S8 Se8 -","8","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020966","9.1528","0.0008","9.9689","0.001","20.8724","0.0018","90","","90","","90","","1904.5","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C80 H76 N12 O16 S4 -","4","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020967","9.248","0.002","20.491","0.003","21.708","0.004","90","","90","","90","","4113.7","1.4","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C168 H176 N16 O32 S8 -","8","2","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020968","8.509","0.0007","11.593","0.0008","20.2321","0.0013","90","","90","","90","","1995.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020969","7.2339","0.0007","9.2254","0.001","35.142","0.003","90","","90","","90","","2345.2","0.4","296","1","296","1","","","","","","","","6","P 2 21 21","P 2bc 2","18","","","","- C25 H24 N2 O4 S Se -","- C25 H24 N2 O4 S Se -","- C100 H96 N8 O16 S4 Se4 -","4","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020970","7.2087","0.0008","9.4196","0.0007","16.7486","0.0013","90","","97.238","0.007","90","","1128.22","0.17","299","2","299","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O4 S Se -","- C24 H22 N2 O4 S Se -","- C48 H44 N4 O8 S2 Se2 -","2","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020971","13.829","0.004","19.788","0.008","9.501","0.003","90","","101.06","0.02","90","","2551.8","0.2","198.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O S2 -","- C14 H14 O S2 -","- C112 H112 O8 S16 -","8","2","","Yuichi Sawada; Akira Oku","Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides Stabilized by a Carbonyl Group","Journal of Organic Chemistry","2004","69","","2899","2901","10.1021/jo0498009","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020972","20.78","0.01","11.496","0.004","8.242","0.002","89","","89","","90","","1968","1","198.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O S -","- C12 H10 O S -","- C96 H80 O8 S8 -","8","1","","Yuichi Sawada; Akira Oku","Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides Stabilized by a Carbonyl Group","Journal of Organic Chemistry","2004","69","","2899","2901","10.1021/jo0498009","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020973","7.667","0.001","11.555","0.002","22.671","0.004","90","","90","","90","","2008.5","0.6","150","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O10 -","- C18 H25 N O10 -","- C72 H100 N4 O40 -","4","1","","Andrew S. Davis; Stephen G. Pyne; Brian W. Skelton; Allan H. White","Synthesis of Putative Uniflorine A","Journal of Organic Chemistry","2004","69","","3139","3143","10.1021/jo049806y","","","","","","","","","","","","","","","","","","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4020974","5.522","0.007","10.7","0.009","21.818","0.003","90","","90","","90","","1289","2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","1","","Daniele Casarini; Lodovico Lunazzi; Andrea Mazzanti; Pierluigi Mercandelli; Angelo Sironi","Conformational Studies by Dynamic NMR. 99.^1^ Experimental and Computed Determination of Rotation Barriers in the Crystalline State: The Case of Naphthylphenylsulfoxide","Journal of Organic Chemistry","2004","69","","3574","3577","10.1021/jo049843p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020975","9.6474","0.0006","9.557","0.0005","15.8983","0.0009","90","","90","","90","","1465.83","0.15","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H24 O2 -","- C17 H24 O2 -","- C68 H96 O8 -","4","1","","Alexey Rivkin; Felix González-López de Turiso; Tadamichi Nagashima; Dennis P. Curran","Radical and Palladium-Catalyzed Cyclizations to Cyclobutenes: An Entry to the BCD Ring System of Penitrem D","Journal of Organic Chemistry","2004","69","","3719","3725","10.1021/jo049873s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020976","15.6601","0.0005","8.8459","0.0004","12.8348","0.0006","90","","102.059","0.002","90","","1738.74","0.13","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","","Mark Lautens; John Mancuso","Addition of Bifunctional Organoboron Reagents to Strained Alkenes. Carbon-Carbon Bond Formation with Rh(I) Catalysis in Aqueous Media","Journal of Organic Chemistry","2004","69","","3478","3487","10.1021/jo049874k","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020977","31.4218","0.0007","10.0111","0.0003","17.0551","0.0006","90","","99.252","0.001","90","","5295.2","0.3","293","1","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 O5 Si -","- C26 H38 O5 Si -","- C208 H304 O40 Si8 -","8","1","","Mark Lautens; John Mancuso","Addition of Bifunctional Organoboron Reagents to Strained Alkenes. Carbon-Carbon Bond Formation with Rh(I) Catalysis in Aqueous Media","Journal of Organic Chemistry","2004","69","","3478","3487","10.1021/jo049874k","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020978","25.133","0.002","5.5289","0.0004","11.6527","0.0009","90","","109.012","0.001","90","","1530.9","0.2","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea","Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams","Journal of Organic Chemistry","2004","69","","3025","3035","10.1021/jo049897z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020979","24.2267","0.0016","6.0297","0.0004","11.6827","0.0008","90","","99.523","0.001","90","","1683.1","0.2","158","","158","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C72 H104 N8 O16 -","8","1","","Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea","Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams","Journal of Organic Chemistry","2004","69","","3025","3035","10.1021/jo049897z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020980","13.6734","0.0006","5.967","0.0003","11.9961","0.0005","90","","109.494","0.001","90","","922.65","0.07","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","1","","Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea","Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams","Journal of Organic Chemistry","2004","69","","3025","3035","10.1021/jo049897z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020981","22.834","0.007","6.234","0.002","11.698","0.004","90","","97.043","0.006","90","","1652.4","0.9","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O3 Si -","- C15 H27 N O3 Si -","- C60 H108 N4 O12 Si4 -","4","1","","Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea","Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams","Journal of Organic Chemistry","2004","69","","3025","3035","10.1021/jo049897z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020982","8.425","0.005","13.235","0.005","23.159","0.005","90","","90","","90","","2582.3","1.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,11,20,29-tetraoxa[3.3.3.3]paracyclophane","","","- C32 H32 O4 -","- C32 H32 O4 -","- C128 H128 O16 -","4","0.5","","Paolo Sarri; Francesca Venturi; Francesco Cuda; Stefano Roelens","Binding of Acetylcholine and Tetramethylammonium to Flexible Cyclophane Receptors: Improving on Binding Ability by Optimizing Host's Geometry","Journal of Organic Chemistry","2004","69","","3654","3661","10.1021/jo049899j","","","","","","","","","","","","","","","","","","","","","has coordinates","171653","2020-10-21","18:00:00",""
"4020983","20.844","0.008","10.469","0.004","18.159","0.007","90","","107.079","0.008","90","","3788","3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 -","- C24 H19 N3 -","- C192 H152 N24 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020984","14.8941","0.0011","18.3144","0.0013","14.916","0.0011","90","","97.587","0.002","90","","4033.1","0.5","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020985","47.622","0.003","10.0831","0.0006","18.4233","0.0011","90","","102.251","0.001","90","","8644.9","0.9","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N4 -","- C26.0005 H24 N4 -","- C416.008 H384 N64 -","16","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020986","9.1659","0.001","9.7632","0.0011","29.021","0.003","90","","93.676","0.002","90","","2591.7","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 -","- C16 H13 N3 -","- C128 H104 N24 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020987","12.169","0.003","11.465","0.003","10.149","0.003","90","","95.42","0.005","90","","1409.7","0.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020988","15.9797","0.001","9.7445","0.0006","19.003","0.0012","90","","100.231","0.001","90","","2912","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C136 H120 N24 O8 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020989","22.5713","0.0015","9.4419","0.0006","21.712","0.0014","90","","110.305","0.001","90","","4339.6","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cl2 N3 Zn -","- C24 H19 Cl2 N3 Zn -","- C192 H152 Cl16 N24 Zn8 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020990","9.1979","0.001","8.4141","0.0009","14.9124","0.0016","90","","91.129","0.002","90","","1153.9","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H18 Cl2 N4 Zn -","- C25 H18 Cl2 N4 Zn -","- C50 H36 Cl4 N8 Zn2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020991","8.8864","0.0008","8.7082","0.0008","15.6555","0.0014","90","","91.339","0.002","90","","1211.16","0.19","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl2 N4 Zn -","- C26 H24 Cl2 N4 Zn -","- C52 H48 Cl4 N8 Zn2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020992","8.4276","0.0007","9.5814","0.0008","20.2177","0.0016","90","","90.122","0.002","90","","1632.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cl2 N3 Zn -","- C16 H13 Cl2 N3 Zn -","- C64 H52 Cl8 N12 Zn4 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020993","13.6939","0.0008","12.8453","0.0007","20.2516","0.0012","90","","90","","90","","3562.3","0.4","297","2","297","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H12 Cl2 N4 Zn -","- C17 H12 Cl2 N4 Zn -","- C136 H96 Cl16 N32 Zn8 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020994","21.3511","0.0012","12.8237","0.0007","14.7555","0.0008","90","","119.184","0.001","90","","3527.2","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cl2 N3 O Zn -","- C17 H15 Cl2 N3 O Zn -","- C136 H120 Cl16 N24 O8 Zn8 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","178387","2020-10-21","18:00:00",""
"4020995","13.661","0.0017","12.4381","0.0016","20.72","0.003","90","","90","","90","","3520.7","0.8","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H12 Cl2 N4 O2 Zn -","- C16 H12 Cl2 N4 O2 Zn -","- C128 H96 Cl16 N32 O16 Zn8 -","8","2","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020996","11.4912","0.0005","16.0724","0.0007","30.9077","0.0014","90","","90","","90","","5708.4","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C296 H240 N32 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020997","5.681","0.005","8.355","0.003","28.935","0.013","90","","90","","90","","1373","1","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N O3 -","- C15 H18 N O3 -","- C60 H72 N4 O12 -","4","1","","Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines","Journal of Organic Chemistry","2004","69","","2888","2891","10.1021/jo049961c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020998","5.3","0.001","8.545","0.003","15.757","0.006","90","","91.09","","90","","713.5","0.4","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines","Journal of Organic Chemistry","2004","69","","2888","2891","10.1021/jo049961c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020999","5.866","0.002","8.248","0.002","15.308","0.004","90","","98.84","","90","","731.9","0.4","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O3 -","- C16 H20 N O3 -","- C32 H40 N2 O6 -","2","1","","Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines","Journal of Organic Chemistry","2004","69","","2888","2891","10.1021/jo049961c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021000","10.124","0.002","10.34","0.002","23.975","0.005","98.93","0.03","96.53","0.03","105.99","0.03","2350.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72.5 H32 O11 S -","- C72.5 H32 O11 S -","- C145 H64 O22 S2 -","2","1","","Shaohua Huang; Zuo Xiao; Fudong Wang; Liangbing Gan; Xiang Zhang; Xiangqing Hu; Shiwei Zhang; Mujian Lu; Qinqi Pan; Li Xu","Selective Preparation of Oxygen-Rich [60]Fullerene Derivatives by Stepwise Addition of tert-Butylperoxy Radical and Further Functionalization of the Fullerene Mixed Peroxides","Journal of Organic Chemistry","2004","69","","2442","2453","10.1021/jo049974q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021001","9.438","0.002","12.063","0.0014","10.701","0.0009","90","","103.508","0.013","90","","1184.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 N O P -","- C27 H30 N O P -","- C54 H60 N2 O2 P2 -","2","1","","Tanasri Bunlaksananusorn; Paul Knochel","t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands","Journal of Organic Chemistry","2004","69","","4595","4601","10.1021/jo030383u","","","","","","","0.0387","","","0.097","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021002","10.856","0.002","11.45","0.002","12.027","0.002","105.86","0.02","92.166","0.015","113.13","0.02","1304.6","0.4","293","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N O P -","- C32 H32 N O P -","- C64 H64 N2 O2 P2 -","2","1","","Tanasri Bunlaksananusorn; Paul Knochel","t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands","Journal of Organic Chemistry","2004","69","","4595","4601","10.1021/jo030383u","","","","","","","0.0509","","","0.1054","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021003","8.105","0.004","8.729","0.002","37.158","0.012","90","","90","","90","","2628.9","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O4 P2 -","- C30 H32 O4 P2 -","- C120 H128 O16 P8 -","4","1","","Tanasri Bunlaksananusorn; Paul Knochel","t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands","Journal of Organic Chemistry","2004","69","","4595","4601","10.1021/jo030383u","","","","","","","0.042","","","0.1061","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021004","6.5307","0.0007","14.195","0.002","22.832","0.003","90","","90","","90","","2116.7","0.4","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Mikkel Fog Jakobsen; Liviu Ionita; Troels Skrydstrup","Highly Diastereoselective Mannich-Type Reactions of Chiral N-Acylhydrazones","Journal of Organic Chemistry","2004","69","","4792","4796","10.1021/jo0358170","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021005","13.3309","0.0001","9.4105","0.0001","18.7703","0.0004","90","","104.229","0.004","90","","2282.51","0.07","213.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021006","12.644","0.001","12.974","0.001","14.0462","0.0009","90","","99.205","0.001","90","","2274.4","0.3","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021007","8.7324","0.0002","12.0297","0.0001","19.8786","0.0007","90","","97.193","0.004","90","","2071.77","0.1","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021008","13.085","0.002","8.907","0.002","18.254","0.003","90","","95.486","0.005","90","","2117.9","0.6","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021009","30.28","0.01","9.475","0.007","11.233","0.006","90","","93.86","0.04","90","","3215","3","298","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","?","- C40 H28 O3 -","- C160 H112 O12 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","0.083","","","0.095","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021010","10.267","0.003","7.706","0.002","32.75","0.02","90","","90.48","0.04","90","","2590","1","288.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 O2 -","- C35 H28 O2 -","- C140 H112 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021011","10.81","0.002","12.26","0.01","8.886","0.004","102.52","0.05","102.51","0.03","88.01","0.04","1122","1","298","","","","","","","","","","","3","P -1","-P 1","2","","","","?","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","0.048","","","0.052","","","","","","","","","","","has coordinates","134573","2020-10-21","18:00:00",""
"4021012","15.2418","0.0008","8.2652","0.0004","17.7642","0.0009","90","","94.232","0.001","90","","2231.8","0.2","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021013","10.2179","0.0002","11.0564","0.0007","10.151","0.001","90.212","0.008","99.919","0.004","83.632","0.002","1122.5","0.1","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021014","37.811","0.003","37.811","0.003","8.1627","0.0007","90","","90","","120","","10106.4","1.3","293.1","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C486 H504 O36 -","18","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021015","25.574","0.003","8.6902","0.0007","22.156","0.002","90","","118.871","0.003","90","","4312","0.7","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C216 H224 O16 -","8","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021016","9.719","0.001","12.4697","0.0006","9.062","0.001","97.55","0.01","106.09","0.01","86.019","0.004","1045.5","0.2","223.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C54 H56 O4 -","2","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021017","16.0412","0.0003","16.462","0.0006","19.5672","0.0007","92.048","0.002","96.881","0.002","112.039","0.002","4736.6","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H128 N11 O13 -","- C95 H119 N11 O13 -","- C190 H238 N22 O26 -","2","1","","Ulrich Darbost; Michel Giorgi; Olivia Reinaud; Ivan Jabin","A novel C~3v~-Symmetrical Calix[6](aza)cryptand with a Remarkably High and Selective Affinity for Small Ammoniums","Journal of Organic Chemistry","2004","69","","4879","4884","10.1021/jo035859o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021018","9.5265","0.0002","11.831","0.003","13.775","0.003","80.63","0.02","73.94","0.02","80.7","0.02","1460.9","0.5","","","210","","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H37 N6.5 O4.5 -","- C28.89 H27 N6.5 O4.5 -","- C57.78 H54 N13 O9 -","2","1","","Sigitas Stončius; Eugenius Butkus; Albinas Žilinskas; Krister Larsson; Lars Öhrströrn; Ulf Berg; Kenneth Wärnmark","Design and Synthesis of a C~2~Symmetric Self-Complementary Hydrogen-Bonding Cleft Molecule Based on the Bicyclo[3.3.1]nonane and 4-Oxo-5-azaindole Framework. Formation of Channels and Inclusion Complexes in the Solid State","Journal of Organic Chemistry","2004","69","","5196","5203","10.1021/jo035869p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021019","12.507","0.003","16.748","0.003","13.978","0.003","90","","108.99","0.03","90","","2768.7","1","","","210","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H56 N8 O12 -","- C50 H56 N8 O12 -","- C100 H112 N16 O24 -","2","1","","Sigitas Stončius; Eugenius Butkus; Albinas Žilinskas; Krister Larsson; Lars Öhrströrn; Ulf Berg; Kenneth Wärnmark","Design and Synthesis of a C~2~Symmetric Self-Complementary Hydrogen-Bonding Cleft Molecule Based on the Bicyclo[3.3.1]nonane and 4-Oxo-5-azaindole Framework. Formation of Channels and Inclusion Complexes in the Solid State","Journal of Organic Chemistry","2004","69","","5196","5203","10.1021/jo035869p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021020","7.5579","0.0014","9.8711","0.0012","21.1313","0.0017","90","","90","","90","","1576.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","","Catherine Gaulon; Robert Dhal; Teddy Chapin; Vincent Maisonneuve; Gilles Dujardin","N-Vinyl-2-oxazolidinones: Efficient Chiral Dienophiles for the [4 + 2]-Based de Novo Synthesis of New N-2-Deoxyglycosides","Journal of Organic Chemistry","2004","69","","4192","4202","10.1021/jo040102y","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021021","8.59","0.006","9.8059","0.0016","11.04","0.02","90","","107.36","0.09","90","","887.4","1.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C32 H50 N2 O12 -","2","1","","Catherine Gaulon; Robert Dhal; Teddy Chapin; Vincent Maisonneuve; Gilles Dujardin","N-Vinyl-2-oxazolidinones: Efficient Chiral Dienophiles for the [4 + 2]-Based de Novo Synthesis of New N-2-Deoxyglycosides","Journal of Organic Chemistry","2004","69","","4192","4202","10.1021/jo040102y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021022","9.964","0.004","9.92","0.005","11.17","0.003","90","","108.98","0.03","90","","1044","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","Catherine Gaulon; Robert Dhal; Teddy Chapin; Vincent Maisonneuve; Gilles Dujardin","N-Vinyl-2-oxazolidinones: Efficient Chiral Dienophiles for the [4 + 2]-Based de Novo Synthesis of New N-2-Deoxyglycosides","Journal of Organic Chemistry","2004","69","","4192","4202","10.1021/jo040102y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021023","15.729","0.002","9.8732","0.0014","19.745","0.003","90","","101.117","0.002","90","","3008.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H78 N2 O6 P2 -","- C60 H72 O6 P2 -","- C120 H144 O12 P4 -","2","1","","Christopher J. Cobley; Kelli Gardner; Jerzy Klosin; Céline Praquin; Catherine Hill; Gregory T. Whiteker; Antonio Zanotti-Gerosa; Jeffrey L. Petersen; Khalil A. Abboud","Synthesis and Application of a New Bisphosphite Ligand Collection for Asymmetric Hydroformylation of Allyl Cyanide","Journal of Organic Chemistry","2004","69","","4031","4040","10.1021/jo040128p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021024","18.267","0.0013","22.2381","0.0016","65.457","0.005","90","","90","","90","","26590","3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C68.75 H84 N O8 P2 Rh -","- C65 H79 O8 P2 Rh -","- C1040 H1264 O128 P32 Rh16 -","16","2","","Christopher J. Cobley; Kelli Gardner; Jerzy Klosin; Céline Praquin; Catherine Hill; Gregory T. Whiteker; Antonio Zanotti-Gerosa; Jeffrey L. Petersen; Khalil A. Abboud","Synthesis and Application of a New Bisphosphite Ligand Collection for Asymmetric Hydroformylation of Allyl Cyanide","Journal of Organic Chemistry","2004","69","","4031","4040","10.1021/jo040128p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021027","8.9497","0.0006","15.3708","0.0011","10.6571","0.0008","90","","90.122","0.001","90","","1466.03","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 N2 O4 Pd -","- C28 H52 N2 O4 Pd -","- C56 H104 N4 O8 Pd2 -","2","0.5","","Bin Tao; David W. Boykin","Simple Amine/Pd(OAc)~2~-Catalyzed Suzuki Coupling Reactions of Aryl Bromides under Mild Aerobic Conditions","Journal of Organic Chemistry","2004","69","","4330","4335","10.1021/jo040147z","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021028","16.9313","0.0018","7.0518","0.0007","12.8453","0.0014","90","","96.494","0.002","90","","1523.8","0.3","93","1","93","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Br F N2 O3 -","- C15 H20 Br F N2 O3 -","- C60 H80 Br4 F4 N8 O12 -","4","1","","Akihiro Hashimoto; Anna K. Przybyl; Joannes T. M. Linders; Shinichi Kodato; Xinrong Tian; Jeffrey R. Deschamps; Clifford George; Judith L. Flippen-Anderson; Arthur E. Jacobson; Kenner C. Rice","Probes for Narcotic Receptor-Mediated Phenomena. 33. Construction of a Strained trans-5,6-Ring System by Displacement of a Nitro-Activated Aromatic Fluorine. Synthesis of the Penultimate Oxide-Bridged Phenylmorphans","Journal of Organic Chemistry","2004","69","","5322","5327","10.1021/jo040159k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021029","6.3039","0.0005","24.092","0.002","9.7132","0.0008","90","","107.731","0.001","90","","1405.1","0.2","93","1","93","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br N O2 -","- C15 H19 Br N O2 -","- C60 H76 Br4 N4 O8 -","4","1","","Akihiro Hashimoto; Anna K. Przybyl; Joannes T. M. Linders; Shinichi Kodato; Xinrong Tian; Jeffrey R. Deschamps; Clifford George; Judith L. Flippen-Anderson; Arthur E. Jacobson; Kenner C. Rice","Probes for Narcotic Receptor-Mediated Phenomena. 33. Construction of a Strained trans-5,6-Ring System by Displacement of a Nitro-Activated Aromatic Fluorine. Synthesis of the Penultimate Oxide-Bridged Phenylmorphans","Journal of Organic Chemistry","2004","69","","5322","5327","10.1021/jo040159k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021030","15.8054","0.0002","7.1618","0.0001","12.9254","0.0001","90","","91.108","0.001","90","","1462.82","0.03","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Br F N O -","- C15 H21 Br F N O -","- C60 H84 Br4 F4 N4 O4 -","4","1","","Akihiro Hashimoto; Anna K. Przybyl; Joannes T. M. Linders; Shinichi Kodato; Xinrong Tian; Jeffrey R. Deschamps; Clifford George; Judith L. Flippen-Anderson; Arthur E. Jacobson; Kenner C. Rice","Probes for Narcotic Receptor-Mediated Phenomena. 33. Construction of a Strained trans-5,6-Ring System by Displacement of a Nitro-Activated Aromatic Fluorine. Synthesis of the Penultimate Oxide-Bridged Phenylmorphans","Journal of Organic Chemistry","2004","69","","5322","5327","10.1021/jo040159k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021031","9.7507","0.0012","16.638","0.002","14.9555","0.0019","90","","108.939","0.003","90","","2294.9","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 O Pd -","- C31 H26 N2 O Pd -","- C124 H104 N8 O4 Pd4 -","4","1","","Dachun Liu; Gregory M. Ferrence; Timothy D. Lash","Oxybenziporphyrins, Oxypyriporphyrins, Benzocarbaporphyrins, and Their 23-Oxa and 23-Thia Analogues: Synthesis, Spectroscopic Characterization, Metalation, and Structural Characterization of a Palladium(II) Organometallic Derivative","Journal of Organic Chemistry","2004","69","","6079","6093","10.1021/jo040180l","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021032","10.108","0.005","14.08","0.006","13.864","0.004","90","","92.89","0.04","90","","1970.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 B2 N O7 -","- C22 H17 B2 N O7 -","- C88 H68 B8 N4 O28 -","4","1","","Peter D. Livant; D. John D. Northcott; Yiping Shen; Thomas R. Webb","Bonding along a Linear B···N···B Triad","Journal of Organic Chemistry","2004","69","","6564","6571","10.1021/jo040199o","","","","","","","0.0507","","","0.1164","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021033","14.092","0.005","8.59","0.002","21.856","0.006","90","","94.64","0.02","90","","2636.8","1.3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N O10 -","- C26 H31 N O10 -","- C104 H124 N4 O40 -","4","0.5","","Peter D. Livant; D. John D. Northcott; Yiping Shen; Thomas R. Webb","Bonding along a Linear B···N···B Triad","Journal of Organic Chemistry","2004","69","","6564","6571","10.1021/jo040199o","","","","","","","0.0658","","","0.1486","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021034","10.6317","0.0019","11.6413","0.0019","12.227","0.002","102.617","0.004","111.877","0.003","102.583","0.005","1293.5","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O -","- C16 H20 O -","- C64 H80 O4 -","4","2","","James H. Rigby; Mundruppady S. Laxmisha; Andrew R. Hudson; Charles H. Heap; Mary Jane Heeg","Chromium(0)-Promoted Multicomponent Cycloaddition of Tethered Diynes with Cyclic Trienes: Application to the Total Synthesis of 9-epi-Pentalenic Acid","Journal of Organic Chemistry","2004","69","","6751","6760","10.1021/jo040204o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021035","13.3508","0.0013","12.9742","0.0014","16.9839","0.0018","90","","106.803","0.002","90","","2816.3","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 I O5 Si -","- C26 H43 I O5 Si -","- C104 H172 I4 O20 Si4 -","4","1","","James H. Rigby; Mundruppady S. Laxmisha; Andrew R. Hudson; Charles H. Heap; Mary Jane Heeg","Chromium(0)-Promoted Multicomponent Cycloaddition of Tethered Diynes with Cyclic Trienes: Application to the Total Synthesis of 9-epi-Pentalenic Acid","Journal of Organic Chemistry","2004","69","","6751","6760","10.1021/jo040204o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178388","2020-10-21","18:00:00",""
"4021036","7.906","0.003","11.769","0.003","16.622","0.005","90","","91.808","0.006","90","","1545.8","0.8","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","James H. Rigby; Mundruppady S. Laxmisha; Andrew R. Hudson; Charles H. Heap; Mary Jane Heeg","Chromium(0)-Promoted Multicomponent Cycloaddition of Tethered Diynes with Cyclic Trienes: Application to the Total Synthesis of 9-epi-Pentalenic Acid","Journal of Organic Chemistry","2004","69","","6751","6760","10.1021/jo040204o","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021037","14.0476","0.0007","14.0476","0.0007","81.947","0.006","90","","90","","120","","14004.6","1.4","295","2","295","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C576 H936 O108 -","36","1","","James H. Rigby; Mundruppady S. Laxmisha; Andrew R. Hudson; Charles H. Heap; Mary Jane Heeg","Chromium(0)-Promoted Multicomponent Cycloaddition of Tethered Diynes with Cyclic Trienes: Application to the Total Synthesis of 9-epi-Pentalenic Acid","Journal of Organic Chemistry","2004","69","","6751","6760","10.1021/jo040204o","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021038","6.28","0.001","10.367","0.002","24.434","0.005","90","","90","","90","","1590.8","0.5","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O3 Se -","- C16 H22 O3 Se -","- C64 H88 O12 Se4 -","4","1","","Dan Yang; Qiang Gao; Bao-Fu Zheng; Nian-Yong Zhu","Et~2~AlCl-Promoted Asymmetric Phenylseleno Group Transfer Radical Cyclization Reactions of Unsaturated β-Hydroxy Esters","Journal of Organic Chemistry","2004","69","","8821","8828","10.1021/jo048322z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021039","6.235","0.001","20.458","0.004","14.051","0.003","90","","91.57","0.03","90","","1791.6","0.6","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 O3 Se -","- C19 H25 O3 Se -","- C76 H100 O12 Se4 -","4","1","","Dan Yang; Qiang Gao; Bao-Fu Zheng; Nian-Yong Zhu","Et~2~AlCl-Promoted Asymmetric Phenylseleno Group Transfer Radical Cyclization Reactions of Unsaturated β-Hydroxy Esters","Journal of Organic Chemistry","2004","69","","8821","8828","10.1021/jo048322z","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021040","6.6752","0.0009","10.3589","0.001","8.709","0.0011","90","","91.698","0.016","90","","601.94","0.13","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C24 H28 O14 -","2","1","","Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner","Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold","Journal of Organic Chemistry","2004","69","","8558","8560","10.1021/jo048351+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021041","6.1515","0.0005","13.5741","0.0012","19.044","0.002","90","","90","","90","","1590.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O7 -","- C17 H16 O7 -","- C68 H64 O28 -","4","1","","Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner","Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold","Journal of Organic Chemistry","2004","69","","8558","8560","10.1021/jo048351+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021042","4.8763","0.0004","12.906","0.0015","27.491","0.002","90","","90","","90","","1730.1","0.3","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O7 -","- C17 H24 O7 -","- C68 H96 O28 -","4","1","","Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner","Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold","Journal of Organic Chemistry","2004","69","","8558","8560","10.1021/jo048351+","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021043","7.463","0.0005","7.4633","0.0005","23.1431","0.0015","91.299","0.002","94.067","0.003","90.194","0.003","1285.45","0.15","90","1","90","1","","","","","","","","5","P 1","P 1","1","C26H23O6BrN4","","","- C26 H23 Br N4 O6 -","- C26 H23 Br N4 O6 -","- C52 H46 Br2 N8 O12 -","2","2","","Huw M. L. Davies; Rohan E. J. Beckwith","Catalytic Asymmetric Reactions for Organic Synthesis: The Combined C-H Activation/Siloxy-Cope Rearrangement","Journal of Organic Chemistry","2004","69","","9241","9247","10.1021/jo048429m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021044","10.9443","0.0002","12.8927","0.0002","31.0269","0.0005","90","","90","","90","","4377.9","","150","","150","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C160 H256 O80 -","16","2","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021045","7.2339","0.0001","7.5773","0.0002","17.8539","0.0004","90","","90","","90","","978.6","","150","","150","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021046","12.7237","0.0003","8.2796","0.0002","10.8451","0.0002","90","","99.5173","0.0011","90","","1126.8","","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(1'R*,5'R*,7'R*)-dispiro(1,3-dioxolane-2,2'-(1',5'-dimethyl- 8'-oxa-bicyclo(3.2.1)octane)-7',2''-oxirane)","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021047","6.4436","0.0002","16.4333","0.0005","8.0112","0.0002","90","","112.166","0.0019","90","","785.6","","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021048","5.9658","0.0002","12.6612","0.0003","13.5514","0.0004","90","","101.299","0.0013","90","","1003.8","","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","1","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021049","13.964","0.003","14.014","0.003","21.067","0.004","90","","90","","90","","4122.6","1.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H64 N6 O11 -","- C36 H64 N6 O11 -","- C144 H256 N24 O44 -","4","1","","Danielle Skropeta; Katrina A. Jolliffe; Peter Turner","Pseudoprolines as Removable Turn Inducers: Tools for the Cyclization of Small Peptides","Journal of Organic Chemistry","2004","69","","8804","8809","10.1021/jo0484732","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021050","16.9116","0.0003","5.5619","0.0001","36.4494","0.0008","90","","90","","90","","3428.45","0.11","223","2","223","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C176 H192 O16 -","8","2","","Jingkui Yang; David F. Cauble; Adam J. Berro; Nathan L. Bauld; Michael J. Krische","Anion Radical [2 + 2] Cycloaddition as a Mechanistic Probe: Stoichiometry- and Concentration-Dependent Partitioning of Electron-Transfer and Alkylation Pathways in the Reaction of the Gilman Reagent Me~2~CuLi·LiI with Bis(enones)","Journal of Organic Chemistry","2004","69","","7979","7984","10.1021/jo048499t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021051","16.04","0.002","3.969","0.0003","19.179","0.001","90","","107.158","0.004","90","","1166.6","0.2","90","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 O2 Se2 -","- C14 H8 O2 Se2 -","- C56 H32 O8 Se8 -","4","1","","Takahiro Kojima; Kohtaro Tanaka; Takayuki Ishida; Takashi Nogami","Synthesis and Characterization of Dibenzodioxadiselenafulvalene","Journal of Organic Chemistry","2004","69","","9319","9322","10.1021/jo048501g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021052","8.9159","0.0007","4.331","0.0003","15.3642","0.0009","90","","93.535","0.002","90","","592.15","0.08","90","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O2 Se2 -","- C14 H8 O2 Se2 -","- C28 H16 O4 Se4 -","2","0.5","","Takahiro Kojima; Kohtaro Tanaka; Takayuki Ishida; Takashi Nogami","Synthesis and Characterization of Dibenzodioxadiselenafulvalene","Journal of Organic Chemistry","2004","69","","9319","9322","10.1021/jo048501g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021053","10.6924","0.0002","33.0953","0.0007","14.2824","0.0003","90","","90","","90","","5054.1","0.2","200","2","200","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C58 H71 N6 O1.5 -","- C52 H56 N6 -","- C208 H224 N24 -","4","0.5","","Angela L. Sauers; Douglas M. Ho; Stefan Bernhard","Synthesis and Characterization of Highly Conjugated, Chiral Bridging Ligands","Journal of Organic Chemistry","2004","69","","8910","8915","10.1021/jo048515m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021054","7.6254","0.0001","11.3678","0.0003","13.1788","0.0004","102.452","0.001","96.396","0.001","105.312","0.001","1058.59","0.04","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C52 H56 N6 -","- C52 H56 N6 -","- C52 H56 N6 -","1","1","","Angela L. Sauers; Douglas M. Ho; Stefan Bernhard","Synthesis and Characterization of Highly Conjugated, Chiral Bridging Ligands","Journal of Organic Chemistry","2004","69","","8910","8915","10.1021/jo048515m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021055","8.089","0.001","9.417","0.002","13.253","0.003","77.425","0.007","78.096","0.007","84.355","0.01","962.6","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 N O2 Si -","- C18 H33 N O2 Si -","- C36 H66 N2 O4 Si2 -","2","1","","Ramaiah Kumareswaran; Judith Gallucci; T. V. RajanBabu","Tuning the Acceptors in Catalyzed Cyclizations Initiated by Allenes. Silylstannylation/Cyclization of Allene-Aldehydes for Synthesis of Polyalkylated Indolizidines Including 223A Congeners","Journal of Organic Chemistry","2004","69","","9151","9158","10.1021/jo048580w","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021056","11.207","0.001","12.006","0.002","10.625","0.001","90","","91.122","0.007","90","","1429.3","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Ramaiah Kumareswaran; Judith Gallucci; T. V. RajanBabu","Tuning the Acceptors in Catalyzed Cyclizations Initiated by Allenes. Silylstannylation/Cyclization of Allene-Aldehydes for Synthesis of Polyalkylated Indolizidines Including 223A Congeners","Journal of Organic Chemistry","2004","69","","9151","9158","10.1021/jo048580w","","","","","","","0.0309","","","0.0762","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021057","8.297","0.001","17.028","0.002","10.672","0.001","90","","108.69","0.004","90","","1428.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Ramaiah Kumareswaran; Judith Gallucci; T. V. RajanBabu","Tuning the Acceptors in Catalyzed Cyclizations Initiated by Allenes. Silylstannylation/Cyclization of Allene-Aldehydes for Synthesis of Polyalkylated Indolizidines Including 223A Congeners","Journal of Organic Chemistry","2004","69","","9151","9158","10.1021/jo048580w","","","","","","","0.0454","","","0.1126","","","","","","","","","","","has coordinates,has disorder","178388","2020-10-21","18:00:00",""
"4021058","5.5474","0.001","16.996","0.002","18.256","0.003","90","","90","","90","","1721.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Pushpal Bhaket; Christina S. Stauffer; Apurba Datta","Complex Peptidyl Nucleoside Antibiotics: Efficient Syntheses of the Glycosyl Nucleoside Amino Acid Cores","Journal of Organic Chemistry","2004","69","","8594","8601","10.1021/jo048586l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021059","14.756","0.0003","9.725","0.0004","7.231","0.0007","90","","93.467","0.003","90","","1035.76","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C52 H40 N16 O4 -","4","1","","Pavel Turek; Martin Kotora; Iva Tišlerová; Michal Hocek; Ivan Votruba; Ivana Císařová","Cocyclotrimerization of 6-Alkynylpurines with α,ω-Diynes as a Novel Approach to Biologically Active 6-Arylpurines","Journal of Organic Chemistry","2004","69","","9224","9233","10.1021/jo0486342","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021060","12.1727","0.0003","10.0484","0.0003","12.3577","0.0003","90","","96.573","0.002","90","","1501.61","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","","Albert Padwa; Hyoung Ik Lee; Paitoon Rashatasakhon; Mickea Rose","Electrophilic-Induced Cyclization Reaction of Hexahydroindolinone Derivatives and Its Application toward the Synthesis of ±-Erysotramidine","Journal of Organic Chemistry","2004","69","","8209","8218","10.1021/jo048647f","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021061","6.0001","0.0002","12.2626","0.0005","12.4228","0.0002","74.897","0.003","77.983","0.002","79.092","0.002","854.26","0.05","143.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 N4 -","- C17 H28 N4 -","- C34 H56 N8 -","2","1","","Kian L. Tan; Steve Park; Jonathan A. Ellman; Robert G. Bergman","Intermolecular Coupling of Alkenes to Heterocycles via C-H Bond Activation","Journal of Organic Chemistry","2004","69","","7329","7335","10.1021/jo048666p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021062","28.776","0.011","12.737","0.005","6.363","0.003","90","","101.095","0.007","90","","2288.5","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03211aaa","","","- C13 H5 F4 N2 S -","- C13 H5 F4 N2 S -","- C104 H40 F32 N16 S8 -","8","1","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young Jr.","Experimental and Theoretical Studies of Fused-Ring Persistent [1,2,4]Thiadiazinyl Radicals","Journal of Organic Chemistry","2004","69","","7525","7536","10.1021/jo0486746","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021063","6.795","0.002","8.362","0.003","13.368","0.004","71.791","0.004","83.326","0.004","68.631","0.004","671.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","04068b","","","- C13 H5 Cl4 N2 S -","- C13 H5 Cl4 N2 S -","- C26 H10 Cl8 N4 S2 -","2","1","","Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young Jr.","Experimental and Theoretical Studies of Fused-Ring Persistent [1,2,4]Thiadiazinyl Radicals","Journal of Organic Chemistry","2004","69","","7525","7536","10.1021/jo0486746","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021064","11.075","0.001","18.989","0.003","23.195","0.002","90","","90","","90","","4878","1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C39 H48 O12 -","- C52 H64 O16 -","- C208 H256 O64 -","4","0.5","","Denis Deffieux; Isabelle Fabre; Alexander Titz; Jean-Michel Léger; Stéphane Quideau","Electrochemical Synthesis of Dimerizing and Nondimerizing Orthoquinone Monoketals","Journal of Organic Chemistry","2004","69","","8731","8738","10.1021/jo048677i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021065","7.7688","0.0008","11.0129","0.0003","16.3245","0.0014","90","","92.127","0.005","90","","1395.71","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C68 H52 N12 O4 -","4","1","","Till Opatz; Dorota Ferenc","An Unexpected Three-Component Condensation Leading to Amino- (3-oxo-2,3-dihydro-1H-isoindol-1-ylidene)- acetonitriles","Journal of Organic Chemistry","2004","69","","8496","8499","10.1021/jo0486802","","","","","","","","","","0.1662","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021066","13.562","0.002","14.124","0.002","6.6269","0.0006","97.823","0.01","97.2","0.01","62.873","0.01","1116.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 N O3 Si -","- C23 H31 N O3 Si -","- C46 H62 N2 O6 Si2 -","2","1","","Yuji Matsuya; Kazushige Sasaki; Mamiko Nagaoka; Hiroko Kakuda; Naoki Toyooka; Nobuko Imanishi; Hiroshi Ochiai; Hideo Nemoto","Synthesis of a New Class of Furan-Fused Tetracyclic Compounds Using o-Quinodimethane Chemistry and Investigation of Their Antiviral Activity","Journal of Organic Chemistry","2004","69","","7989","7993","10.1021/jo0486995","","","","","","","0.0412","","","0.0604","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021067","8.864","0.005","14.597","0.005","10.9","0.004","90","","108.36","0.03","90","","1338.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Yuji Matsuya; Kazushige Sasaki; Mamiko Nagaoka; Hiroko Kakuda; Naoki Toyooka; Nobuko Imanishi; Hiroshi Ochiai; Hideo Nemoto","Synthesis of a New Class of Furan-Fused Tetracyclic Compounds Using o-Quinodimethane Chemistry and Investigation of Their Antiviral Activity","Journal of Organic Chemistry","2004","69","","7989","7993","10.1021/jo0486995","","","","","","","0.0449","","","0.0583","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021068","14.2366","0.0008","14.2825","0.0008","16.0574","0.001","90","","107.805","0.001","90","","3108.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 O6 -","- C33 H38 O6 -","- C132 H152 O24 -","4","1","","Carolyn Selenski; Thomas R. R. Pettus","Enantioselective [4 + 2] Cycloadditions of o-Quinone Methides: Total Synthesis of (+)-Mimosifoliol and Formal Synthesis of (+)-Tolterodine","Journal of Organic Chemistry","2004","69","","9196","9203","10.1021/jo048703c","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021069","12.389","0.003","12.719","0.003","19.197","0.005","101.808","0.004","93.818","0.004","113.117","0.004","2686.7","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H32 O6 -","- C29 H32 O6 -","- C116 H128 O24 -","4","2","","Carolyn Selenski; Thomas R. R. Pettus","Enantioselective [4 + 2] Cycloadditions of o-Quinone Methides: Total Synthesis of (+)-Mimosifoliol and Formal Synthesis of (+)-Tolterodine","Journal of Organic Chemistry","2004","69","","9196","9203","10.1021/jo048703c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021070","11.4413","0.0005","11.4413","0.0005","50.149","0.005","90","","90","","120","","5685.2","0.6","163","2","163","2","","","","","","","","7","P 61","P 61","169","","","","- C44 H34 Co F6 N O3 Pd -","- C44 H34 Co F6 N O3 Pd -","- C264 H204 Co6 F36 N6 O18 Pd6 -","6","1","","Stefan F. Kirsch; Larry E. Overman; Mary P. Watson","Monomeric Cobalt Oxazoline Palladacycles (COP). Useful Catalysts for Catalytic Asymmetric Rearrangement of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2004","69","","8101","8104","10.1021/jo0487092","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021071","9.957","0.006","11.253","0.012","20.688","0.007","90","","102.23","0.05","90","","2265","3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N O2 S2 -","- C25 H29 N O2 S2 -","- C100 H116 N4 O8 S8 -","4","2","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","","","","","","","","","","","","","","","","","","","","has coordinates","219295","2020-10-21","18:00:00",""
"4021072","8.931","0.002","9.599","0.001","28.08","0.009","90","","90","","90","","2407.3","1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277840","2022-09-14","18:33:58",""
"4021073","22.837","0.004","6.394","0.002","14.408","0.003","90","","95.328","0.016","90","","2094.9","0.9","294","2","294","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H25 N O2 S2 -","- C23 H25 N O2 S2 -","- C92 H100 N4 O8 S8 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","","","","","","","","","","","","","","","","","","","","has coordinates","219295","2020-10-21","18:00:00",""
"4021074","13.011","0.006","8.762","0.004","18.586","0.006","90","","94.84","0.04","90","","2111.3","1.5","294","2","294","2","","","","","","","synthesis as described","5","I 1 2 1","I 2y","5","","","","- C23 H25 N O2 S2 -","- C23 H25 N O2 S2 -","- C92 H100 N4 O8 S8 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","x-ray","0.71073","MoKα","","0.0374","0.0347","","","0.0891","0.0932","","","","","","1.065","","","","has coordinates","219296","2020-10-21","18:00:00",""
"4021075","24.638","0.001","11.824","0.001","11.166","0.001","90","","112.08","","90","","3014.3","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H38 Cl N2 O7.5 -","- C29 H37 Cl N2 O7.5 -","- C116 H148 Cl4 N8 O30 -","4","1","","Charles Didier; Douglas J. Critcher; Nigel D. Walshe; Yasuhiro Kojima; Yuji Yamauchi; Anthony G. M. Barrett","Full Stereochemical Assignment and Synthesis of the Potent Anthelmintic Pyrrolobenzoxazine Natural Product CJ-12662","Journal of Organic Chemistry","2004","69","","7875","7879","10.1021/jo048711t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021076","8.904","0.004","11.174","0.006","9.58","0.005","90","","112.09","0.02","90","","883","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 Cl N2 O5 -","- C17 H19 Cl N2 O5 -","- C34 H38 Cl2 N4 O10 -","2","1","","Charles Didier; Douglas J. Critcher; Nigel D. Walshe; Yasuhiro Kojima; Yuji Yamauchi; Anthony G. M. Barrett","Full Stereochemical Assignment and Synthesis of the Potent Anthelmintic Pyrrolobenzoxazine Natural Product CJ-12662","Journal of Organic Chemistry","2004","69","","7875","7879","10.1021/jo048711t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021077","7.1989","0.0009","19.486","0.002","10.169","0.001","90","","91.574","0.009","90","","1426","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 S2 -","- C14 H18 O2 S2 -","- C56 H72 O8 S8 -","4","1","","Blanka Wladislaw; Mauro Alves Bueno; Liliana Marzorati; Claudio Di Vitta; Júlio Zukerman-Schpector","Phase Transfer Catalysis (PTC) Sulfanylation of Some 2-Methylsulfinyl-Cyclanones","Journal of Organic Chemistry","2004","69","","9296","9298","10.1021/jo048751x","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021078","26.977","0.003","7.4394","0.0009","18.917","0.002","90","","130.916","0.002","90","","2868.8","0.6","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H17.5 N0.5 O2 Si0.5 -","- C15 H17.5 N0.5 O2 Si0.5 -","- C120 H140 N4 O16 Si4 -","8","2","","Tahar Ayad; Vanessa Faugeroux; Yves Génisson; Chantal André; Michel Baltas; Liliane Gorrichon","Stereoselective Access to the Versatile 4-Aminohex-5-ene-1,2,3-triol Pattern","Journal of Organic Chemistry","2004","69","","8775","8779","10.1021/jo048766v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021079","9.9182","0.0011","17.1284","0.0019","19.558","0.002","90","","90","","90","","3322.6","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 N O4 Si -","- C37 H41 N O4 Si -","- C148 H164 N4 O16 Si4 -","4","1","","Tahar Ayad; Vanessa Faugeroux; Yves Génisson; Chantal André; Michel Baltas; Liliane Gorrichon","Stereoselective Access to the Versatile 4-Aminohex-5-ene-1,2,3-triol Pattern","Journal of Organic Chemistry","2004","69","","8775","8779","10.1021/jo048766v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021080","11.307","0.002","6.9899","0.0014","12.56","0.003","90","","104.97","0.03","90","","959","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H19 F3 N2 O -","- C23 H19 F3 N2 O -","- C46 H38 F6 N4 O2 -","2","0.5","","Xuefeng Guo; Yucheng Zhou; Deqing Zhang; Bing Yin; Zhiliang Liu; Caiming Liu; Zhengliang Lu; Yuanhe Huang; Daoben Zhu","7-Trifluoromethylquinoline-Functionalized Luminescent Photochromic Spiropyran with the Stable Merocyanine Species Both in Solution and in the Solid State","Journal of Organic Chemistry","2004","69","","8924","8931","10.1021/jo0487799","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021081","9.0346","0.0015","15.629","0.003","19.666","0.004","90","","90","","90","","2776.8","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Br2 Ni P2 -","- C29 H28 Br2 Ni P2 -","- C116 H112 Br8 Ni4 P8 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0444","","","0.0865","","","","","","","","","","","has coordinates,has disorder","178388","2020-10-21","18:00:00",""
"4021082","10.633","0.007","11.279","0.006","13.865","0.012","94.89","0.02","100.46","0.02","108.139","0.006","1536","1.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl4 P2 Pd -","- C30 H28 Cl4.01 P2 Pd -","- C60 H56 Cl8.02 P4 Pd2 -","2","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0532","","","0.1393","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021083","10.846","0.002","13.814","0.003","15.218","0.004","90","","92.512","0.006","90","","2277.9","0.9","143","1","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H22 Cl3 P Pd S -","- C22.5 H22 Cl3 P Pd S -","- C90 H88 Cl12 P4 Pd4 S4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0632","","","0.1016","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021084","17.03","0.003","11.623","0.002","15.988","0.003","90","","101.606","0.004","90","","3099.7","1","143","1","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl2 P Pd S -","- C31 H39 Cl2 P Pd S -","- C124 H156 Cl8 P4 Pd4 S4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0543","","","0.1362","","","","","","","","","","","has coordinates,has disorder","178388","2020-10-21","18:00:00",""
"4021085","18.413","0.004","7.964","0.002","34.564","0.008","90","","95.463","0.004","90","","5045.4","2","143","1","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H29 Cl2 P Pd S -","- C26 H29 Cl2 P Pd S -","- C208 H232 Cl16 P8 Pd8 S8 -","8","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0345","","","0.1006","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021086","9.5511","0.0007","17.748","0.001","14.4104","0.001","90","","101.117","0.001","90","","2396.9","0.3","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl2 P Pd S -","- C25 H27 Cl2 P Pd S -","- C100 H108 Cl8 P4 Pd4 S4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021087","8.7172","0.0005","15.41","0.0009","15.254","0.001","90","","93.74","0.001","90","","2044.7","0.2","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl2 P Pd S -","- C19 H23 Cl2 P Pd S -","- C76 H92 Cl8 P4 Pd4 S4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021088","11.2383","0.0004","26.2045","0.0009","11.5745","0.0004","90","","95.01","","90","","3395.6","0.2","143","1","143","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 F6 P Pd S Sb -","- C34 H36 F6 P Pd S Sb -","- C136 H144 F24 P4 Pd4 S4 Sb4 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021089","7.8323","0.0011","9.0392","0.0011","10.8216","0.0016","105.979","0.002","108.666","0.002","100.361","0.002","666.92","0.16","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Br I O2 -","- C12 H12 Br I O2 -","- C24 H24 Br2 I2 O4 -","2","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021090","5.2028","0.0005","10.2125","0.001","12.6261","0.0013","92.734","0.005","93.487","0.005","102.621","0.005","652.17","0.11","190","2","190","2","","","","","","","","4","P -1","-P 1","2","2-acetylseleno-1-cyclobutene","","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C28 H28 O4 Se2 -","2","1","","Mamoru Koketsu; Kayo Mizutani; Tomoko Ogawa; Ayako Takahashi; Hideharu Ishihara","Synthesis of 3-Acyl-1-alkyl-2-alkylseleno-1-cyclobutene Using Alkyneselenolate","Journal of Organic Chemistry","2004","69","","8938","8941","10.1021/jo048787p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021091","9.9072","0.001","10.0329","0.001","14.3386","0.0014","90","","104.828","0.005","90","","1377.8","0.2","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-phenylbicyclo[4.2.0]oct-7-en-2-one","","","- C16 H16 O2 Se -","- C16 H16 O2 Se -","- C64 H64 O8 Se4 -","4","1","","Mamoru Koketsu; Kayo Mizutani; Tomoko Ogawa; Ayako Takahashi; Hideharu Ishihara","Synthesis of 3-Acyl-1-alkyl-2-alkylseleno-1-cyclobutene Using Alkyneselenolate","Journal of Organic Chemistry","2004","69","","8938","8941","10.1021/jo048787p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021092","14.9308","0.001","22.3227","0.0016","19.4894","0.0013","90","","90.196","0.002","90","","6495.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 I N2 O3 -","- C20 H27 I N2 O3 -","- C240 H324 I12 N24 O36 -","12","6","","Meihua Shen; Chaozhong Li","Asymmetric Iodolactamization Induced by Chiral Oxazolidine Auxiliary","Journal of Organic Chemistry","2004","69","","7906","7909","10.1021/jo0488006","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021093","10.0137","0.0002","13.9591","0.0002","33.0242","0.0004","90","","90","","90","","4616.2","0.13","150","","150","","","","","","","","","3","P b n a","-P 2ac 2b","60","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C216 H264 O48 -","12","1.5","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021094","11.7266","0.0002","14.6049","0.0002","28.9655","0.0004","90","","90","","90","","4960.8","0.13","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C240 H304 O32 -","8","1","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021095","13.5415","0.0003","11.9348","0.0003","16.5925","0.0004","90","","106.13","0.0011","90","","2576.04","0.11","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C120 H152 O16 -","4","1","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021096","12.2308","0.0004","6.6948","0.0003","15.6664","0.0006","90","","91.3727","0.0018","90","","1282.44","0.09","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021097","10.318","0.003","11.071","0.002","13.31","0.003","93.1","0.02","100.37","0.02","113.81","0.02","1354.7","0.6","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N5 O2 -","- C32 H34 N5 O2 -","- C64 H68 N10 O4 -","2","1","","Bernátková, Markéta; Andrioletti, Bruno; Král, Vladimír; Rose, Eric; Vaissermann, Jacqueline","Synthesis of Functionalmeso-Aryl Porphomonomethenes and Porphodimethenes: Application to the Preparation of a Chiral Calix[4]phyrin Dimer","Journal of Organic Chemistry","2004","69","23","8140","8143","10.1021/jo0488558","","","","","","","0.0716","","","0.0665","","","","","","","","","","","has coordinates","209047","2020-10-21","18:00:00",""
"4021098","23.22","0.006","9.111","0.002","16.23","0.004","90","","90.176","0.007","90","","3433.4","1.6","153.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C192 H160 N16 -","8","1","","Masashi Watanabe; Hiroshi Suzuki; Yasutaka Tanaka; Toshimasa Ishida; Tatsuo Oshikawa; Akiyoshi Tori-i","One-Pot Synthesis of Helical Aromatics: Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration Assisted by Experimental and Theoretical Circular Dichroism","Journal of Organic Chemistry","2004","69","","7794","7801","10.1021/jo048858k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021099","7.98","0.003","12.096","0.005","17.014","0.007","90","","90.122","0.011","90","","1642.4","1.2","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","1","","Masashi Watanabe; Hiroshi Suzuki; Yasutaka Tanaka; Toshimasa Ishida; Tatsuo Oshikawa; Akiyoshi Tori-i","One-Pot Synthesis of Helical Aromatics: Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration Assisted by Experimental and Theoretical Circular Dichroism","Journal of Organic Chemistry","2004","69","","7794","7801","10.1021/jo048858k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021100","5.546","0.002","9.811","0.004","26.178","0.01","90","","90","","90","","1424.2","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C56 H88 O20 -","4","1","","Douglass F. Taber; Yongchun Pan; Xia Zhao","A Flexible Enantioselective Synthesis of the Isofurans","Journal of Organic Chemistry","2004","69","","7234","7240","10.1021/jo048863o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021101","8.0217","0.0001","8.1608","0.0001","14.4538","0.0002","83.446","0.001","76.332","0.001","89.241","0.001","913.3","0.02","295","2","295","2","","","","","","","","4","P -1","-P 1","2","2,4-dimethoxyphenylphosphaadamantane","","","- C18 H25 O5 P -","- C18 H25 O5 P -","- C36 H50 O10 P2 -","2","1","","Tim Brenstrum; David A. Gerristma; George M. Adjabeng; Christopher S. Frampton; James Britten; Alan J. Robertson; James McNulty; Alfredo Capretta","Phosphaadamantanes as Ligands for Palladium Catalyzed Cross-Coupling Chemistry: Library Synthesis, Characterization, and Screening in the Suzuki Coupling of Alkyl Halides and Tosylates Containing β-Hydrogens with Boronic Acids and Alkylboranes","Journal of Organic Chemistry","2004","69","","7635","7639","10.1021/jo048875+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021102","10.9311","0.0008","14.0064","0.001","21.9075","0.0016","72.605","0.001","81.323","0.001","70.889","0.001","3019.13","","","","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H54 Br4 Cl2 N4 O8 -","- C72.21 H52.48 Br4 Cl0.48 N4 O8 -","- C144.42 H104.96 Br8 Cl0.96 N8 O16 -","2","1","","Frank Würthner; Vladimir Stepanenko; Zhijian Chen; Chantu R. Saha-Möller; Nikolaus Kocher; Dietmar Stalke","Preparation and Characterization of Regioisomerically Pure 1,7-Disubstituted Perylene Bisimide Dyes","Journal of Organic Chemistry","2004","69","","7933","7939","10.1021/jo048880d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021103","9.8109","0.001","10.142","0.002","17.835","0.002","79.941","0.011","79.903","0.007","89.979","0.011","1719.4","0.5","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","2","","Gon-Ann Lee; Chih-Yi Chang","Novel Ene Trimerization of 1-Phenylcyclopropene","Journal of Organic Chemistry","2004","69","","8949","8951","10.1021/jo048889f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021104","10.625","0.002","17.084","0.006","7.5931","0.0013","90","","90","","90","","1378.2","0.6","298","2","298","2","","","","","","","","2","A e a 2","A 2 -2ab","41","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Gon-Ann Lee; Chih-Yi Chang","Novel Ene Trimerization of 1-Phenylcyclopropene","Journal of Organic Chemistry","2004","69","","8949","8951","10.1021/jo048889f","","","","","","","","","","","","","","","","","","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4021105","8.5785","0.0008","14.193","0.003","19.42","0.003","90","","90","","90","","2364.4","0.7","298","2","298","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 -","- C32 H30 -","- C128 H120 -","4","1","","Gon-Ann Lee; Chih-Yi Chang","Novel Ene Trimerization of 1-Phenylcyclopropene","Journal of Organic Chemistry","2004","69","","8949","8951","10.1021/jo048889f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021106","13.831","0.002","8.845","0.001","13.595","0.002","90","","42.811","0.004","90","","1130.2","0.2","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021107","9.9726","0.0006","12.5133","0.0006","10.5966","0.0007","90","","110.642","0.002","90","","1237.5","0.1","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021108","13.994","0.003","8.865","0.003","13.764","0.004","90","","42.472","0.006","90","","1153","0.5","293.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F N O3 -","- C12 H14 F N O3 -","- C48 H56 F4 N4 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021109","15.495","0.004","10.946","0.003","15.325","0.003","90","","27.877","0.005","90","","1215.3","0.5","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021110","9.717","0.002","9.665","0.002","14.758","0.003","90","","105.305","0.008","90","","1336.8","0.4","296.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021111","9.669","0.005","10.054","0.005","11.307","0.006","94.398","0.01","97.815","0.01","110.743","0.009","1009","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Br2 N O2 -","- C21 H23 Br2 N O2 -","- C42 H46 Br4 N2 O4 -","2","1","","Chi-Lik Ken Lee; Hui Yvonne Ling; Teck-Peng Loh","Asymmetric Synthesis of C-Aliphatic Homoallylic Amines and Biologically Important Cyclohexenylamine Analogues","Journal of Organic Chemistry","2004","69","","7787","7789","10.1021/jo048903o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021112","7.062","0.001","12.245","0.002","13.548","0.002","90","","90","","90","","1171.6","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Leo A. Paquette; Christopher K. Seekamp; Alexandra L. Kahane; David G. Hilmey; Judith Gallucci","Stereochemical Features of Lewis Acid-Promoted Glycosidations Involving 4'-Spiroannulated DNA Building Blocks","Journal of Organic Chemistry","2004","69","","7442","7447","10.1021/jo048904g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021113","14.7183","0.0008","4.8658","0.0003","10.0319","0.0005","90","","90","","90","","718.45","0.07","295","2","295","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C40 H24 N4 -","2","0.25","","Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang","A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","8038","8044","10.1021/jo048914h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021114","9.6168","0.0005","11.2035","0.0006","38.984","0.002","90","","90","","90","","4200.3","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 Si -","- C25 H20 N2 Si -","- C200 H160 N16 Si8 -","8","1","","Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang","A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","8038","8044","10.1021/jo048914h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021115","5.9231","0.0002","31.2133","0.0013","8.74","0.0004","90","","96.274","0.001","90","","1606.17","0.11","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C88 H48 N8 -","4","1","","Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang","A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","8038","8044","10.1021/jo048914h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021116","7.3076","0.0004","8.6592","0.0005","11.541","0.001","81.154","0.005","85.562","0.005","67.839","0.005","668.14","0.08","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C26 H40 O8 -","2","1","","Joaquin Montalt; Frédéric Linker; Frédéric Ratel; Michel Miesch","Synthesis of Bicyclo[4.n.1]alkanones","Journal of Organic Chemistry","2004","69","","6715","6721","10.1021/jo048923q","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021117","10.355","0.002","10.513","0.002","21.439","0.005","90","","93.1","0.01","90","","2330.5","0.8","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H45 Cl4 N5 O18 -","- C39 H45 Cl4 N5 O18 -","- C78 H90 Cl8 N10 O36 -","2","1","","Robert S. Coleman; François-Xavier Felpin; Wei Chen","Mitomycin Synthetic Studies: Stereocontrolled and Convergent Synthesis of a Fully Elaborated Aziridinomitosane","Journal of Organic Chemistry","2004","69","","7309","7316","10.1021/jo048924i","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021118","11.139","0.003","19.073","0.001","7.848","0.001","90","","90","","90","","1667.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O7 S -","- C15 H16 N2 O7 S -","- C60 H64 N8 O28 S4 -","4","1","","Veejendra K. Yadav; Govindaraji Senthil; Latika Singh; Masood Parvez","On the Reaction of 1-Oxa-4-thiaspiro[4.5]decan-7-one with PhLi. A Reinvestigation","Journal of Organic Chemistry","2004","69","","8131","8132","10.1021/jo0489364","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021119","15.564","0.003","10.347","0.002","19.165","0.004","90","","95.71","0.03","90","","3071","1.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 N2 O2 Si -","- C33 H44 N2 O2 Si -","- C132 H176 N8 O8 Si4 -","4","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021120","6.1304","0.0012","21.194","0.004","17.429","0.004","90","","95.4","0.03","90","","2254.4","0.8","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 N O5 Si -","- C21 H35 N O5 Si -","- C84 H140 N4 O20 Si4 -","4","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021121","11.21","0.002","13.483","0.003","16.459","0.003","90","","90","","90","","2487.6","0.9","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 N O6 Si -","- C22 H37 N O6 Si -","- C88 H148 N4 O24 Si4 -","4","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021122","12.887","0.003","16.592","0.004","11.512","0.003","90","","98.406","0.006","90","","2435.2","1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N O6 Si -","- C22 H35 N O6 Si -","- C88 H140 N4 O24 Si4 -","4","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021123","8.733","0.0017","11.707","0.002","13.866","0.003","98.03","0.03","100.88","0.03","99.88","0.03","1349.6","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O8 Si -","- C22 H34 N2 O8 Si -","- C44 H68 N4 O16 Si2 -","2","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021124","9.423","0.002","9.858","0.002","13.376","0.003","78.856","0.005","75.572","0.006","82.53","0.006","1176.3","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H37 N O4 Si -","- C22 H37 N O4 Si -","- C44 H74 N2 O8 Si2 -","2","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021125","9.23","0.005","7.452","0.003","18.389","0.009","90","","95.39","0.03","90","","1259.3","1","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","- C40 H60 N12 O32 -","4","2","","Jinhua Chen; Thota Sambaiah; Boris Illarionov; Markus Fischer; Adelbert Bacher; Mark Cushman","Design, Synthesis, and Evaluation of Acyclic C-Nucleoside and N-Methylated Derivatives of the Ribitylaminopyrimidine Substrate of Lumazine Synthase as Potential Enzyme Inhibitors and Mechanistic Probes","Journal of Organic Chemistry","2004","69","","6996","7003","10.1021/jo048975f","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021126","20.4218","0.0002","12.1169","0.0003","8.5406","0.0006","90","","90","","90","","2113.36","0.16","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H27 N3 O10 -","- C18 H27 N3 O10 -","- C72 H108 N12 O40 -","4","1","","Jinhua Chen; Thota Sambaiah; Boris Illarionov; Markus Fischer; Adelbert Bacher; Mark Cushman","Design, Synthesis, and Evaluation of Acyclic C-Nucleoside and N-Methylated Derivatives of the Ribitylaminopyrimidine Substrate of Lumazine Synthase as Potential Enzyme Inhibitors and Mechanistic Probes","Journal of Organic Chemistry","2004","69","","6996","7003","10.1021/jo048975f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021127","8.5933","0.0013","11.568","0.0017","24.985","0.004","81.38","0.003","81.034","0.003","78.366","0.003","2384.8","0.6","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N6 O3 -","- C27 H24 N6 O3 -","- C108 H96 N24 O12 -","4","2","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021128","4.8751","0.0008","14.134","0.002","19.687","0.003","93.62","0.003","95.106","0.003","90.008","0.003","1348.4","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N6 O5 -","- C29 H30 N6 O4 -","- C58 H60 N12 O8 -","2","1","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021129","14.4095","0.0017","14.4662","0.0017","15.2004","0.0018","104.882","0.002","93.929","0.002","119.408","0.002","2595.4","0.5","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N6 O3 -","- C30 H30 N6 O3 -","- C120 H120 N24 O12 -","4","2","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021130","8.877","0.006","15.091","0.01","27.207","0.019","90","","95.819","0.013","90","","3626","4","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 N6 O4 -","- C37 H54 N6 O2 -","- C148 H216 N24 O8 -","4","1","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021131","8.588","0.007","14.619","0.011","15.233","0.013","66.06","0.03","86.84","0.02","88.45","0.02","1745","2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N6 O -","- C38 H54 N6 O -","- C76 H108 N12 O2 -","2","1","","Monika Mazik; Wolfgang Radunz; Roland Boese","Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors","Journal of Organic Chemistry","2004","69","","7448","7462","10.1021/jo048979k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021132","9.4343","0.0004","16.7187","0.0007","19.8233","0.0009","90","","90","","90","","3126.7","0.2","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 S -","- C20 H22 S -","- C160 H176 S8 -","8","2","","Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn","Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards","Journal of Organic Chemistry","2004","69","","7336","7339","10.1021/jo0489869","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021133","17.9083","0.001","12.7853","0.0007","7.5734","0.0004","90","","90","","90","","1734.03","0.16","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H26 S -","- C22 H26 S -","- C88 H104 S4 -","4","0.5","","Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn","Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards","Journal of Organic Chemistry","2004","69","","7336","7339","10.1021/jo0489869","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021134","9.2092","0.0009","11.5236","0.0012","16.45","0.003","95.221","0.012","106.244","0.013","113.528","0.009","1495.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","2","","Deevi Basavaiah; Jamjanam Srivardhana Rao; Raju Jannapu Reddy","Simple, Facile, and One-Pot Conversion of the Baylis-Hillman Adducts into Functionalized 1,2,3,4-Tetrahydroacridines and Cyclopenta[b]quinolines","Journal of Organic Chemistry","2004","69","","7379","7382","10.1021/jo0489871","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021135","6.1344","0.0002","6.792","0.0003","19.8293","0.0008","90","","91.321","0.003","90","","825.97","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C32 H52 N4 O12 -","4","1","","Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel","Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates","Journal of Organic Chemistry","2004","69","","6377","6386","10.1021/jo048990k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021136","9.3469","0.0001","10.9441","0.0001","11.2608","0.0001","92.297","0.001","103.474","0.001","105.36","0.001","1073.8","0.018","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O7 S -","- C21 H22 N2 O7 S -","- C42 H44 N4 O14 S2 -","2","1","","Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel","Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates","Journal of Organic Chemistry","2004","69","","6377","6386","10.1021/jo048990k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021137","9.4627","0.0009","13.6632","0.0013","14.2294","0.0013","90","","100.514","0.002","90","","1808.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C76 H64 N8 O20 S4 -","4","1","","Albert Padwa; Andrew C. Flick; Carolyn A. Leverett; Thomas Stengel","Rhodium(II)-Catalyzed Aziridination of Allyl-Substituted Sulfonamides and Carbamates","Journal of Organic Chemistry","2004","69","","6377","6386","10.1021/jo048990k","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021138","10.0638","0.0009","11.7036","0.001","28.824","0.003","90","","90","","90","","3395","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Br2 O7 -","- C15 H15 Br2 O7 -","- C120 H120 Br16 O56 -","8","2","","Phillip M. Pelphrey; Khalil A. Abboud; Dennis L. Wright","New Chiral Building Blocks from Tetrabromocyclopropene and Furan","Journal of Organic Chemistry","2004","69","","6931","6933","10.1021/jo048991c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021139","7.127","0.001","13.154","0.002","22.324","0.005","90","","97.622","0.007","90","","2074.4","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N O Si -","- C20 H35 N O Si -","- C80 H140 N4 O4 Si4 -","4","1","","Ramaiah Kumareswaran; Seunghoon Shin; Isabelle Gallou; T. V. RajanBabu","Silylstannylation of Allenes and Silylstannylation-Cyclization of Allenynes. Synthesis of Highly Functionalized Allylstannanes and Carbocyclic and Heterocyclic Compounds","Journal of Organic Chemistry","2004","69","","7157","7170","10.1021/jo049010z","","","","","","","0.0582","","","0.1427","","","","","","","","","","","has coordinates,has disorder","178389","2020-10-21","18:00:00",""
"4021140","6.851","0.002","12.26","0.002","25.615","0.004","90","","90","","90","","2151.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl O7 S -","- C19 H23 Cl O7 S -","- C76 H92 Cl4 O28 S4 -","4","1","","M. Teresa Barros; Anthony J. Burke; Ji-Dong Lou; Christopher D. Maycock; Jorge R. Wahnon","Highly Stereoselective Aldol Reaction for the Synthesis of γ-Lactones Starting from Tartaric Acid","Journal of Organic Chemistry","2004","69","","7847","7850","10.1021/jo049027h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021141","5.139","0.001","7.391","0.001","16.684","0.003","98.61","0.03","96.12","0.03","94.06","0.03","620.55","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F3 N O7 -","- C10 H10 F3 N O7 -","- C20 H20 F6 N2 O14 -","2","1","","Matthias Pohlman; Uli Kazmaier; Thomas Lindner","Allylic Alkylation versus Michael Induced Ring Closure: Chelated Enolates as Versatile Nucleophiles","Journal of Organic Chemistry","2004","69","","6909","6912","10.1021/jo049036q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021142","15.6283","0.0005","8.0588","0.0003","13.8592","0.0006","90","","100.936","0.002","90","","1713.8","0.11","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","0.5","","Carl F. Nising; Ulrike K. Schmid; Martin Nieger; Stefan Bräse","A New Protocol for the One-Pot Synthesis of Symmetrical Biaryls","Journal of Organic Chemistry","2004","69","","6830","6833","10.1021/jo0490393","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021143","32.185","0.006","6.201","0.0012","9.169","0.0018","90","","96.37","0.03","90","","1818.6","0.6","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H22 N O4 P -","- C16 H22 N O4 P -","- C64 H88 N4 O16 P4 -","4","1","","William H. Hersh; Lauren Klein; Louis J. Todaro","Stereoselective Synthesis of P-Chiral Phosphorus Compounds from N-tert-Butoxycarbonyl Amino Acids","Journal of Organic Chemistry","2004","69","","7355","7358","10.1021/jo049057k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021144","5.7353","0.0001","9.2941","0.0001","34.062","0.0005","90","","90","","90","","1815.66","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O10 -","- C15 H22 O10 -","- C60 H88 O40 -","4","1","","Julien Beignet; James Tiernan; Chang H. Woo; Benson M. Kariuki; Liam R. Cox","Stereoselective Synthesis of Allyl-C-mannosyl Compounds: Use of a Temporary Silicon Connection in Intramolecular Allylation Strategies with Allylsilanes","Journal of Organic Chemistry","2004","69","","6341","6356","10.1021/jo049061w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021145","18.5623","0.0015","13.087","0.0012","24.018","0.002","90","","97.433","0.003","90","","5785.5","0.9","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30.5 H35.25 O7.125 -","- C30.5 H35.25 O7.125 -","- C244 H282 O57 -","8","2","","Julien Beignet; James Tiernan; Chang H. Woo; Benson M. Kariuki; Liam R. Cox","Stereoselective Synthesis of Allyl-C-mannosyl Compounds: Use of a Temporary Silicon Connection in Intramolecular Allylation Strategies with Allylsilanes","Journal of Organic Chemistry","2004","69","","6341","6356","10.1021/jo049061w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021146","8.0914","0.0009","13.6806","0.0015","20.184","0.002","90","","96.903","0.003","90","","2218","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C96 H96 N8 O24 -","4","1","","Jiang Zhu; Xiao-Zhong Wang; Ying-Qi Chen; Xi-Kui Jiang; Xin-Zhi Chen; Zhan-Ting Li","Hydrogen-Bonding-Induced Planar, Rigid, and Zigzag Oligoanthranilamides. Synthesis, Characterization, and Self-Assembly of a Metallocyclophane","Journal of Organic Chemistry","2004","69","","6221","6227","10.1021/jo0490705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021147","15.7375","0.0018","12.7613","0.0014","26.079","0.003","90","","99.529","0.002","90","","5165.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 Cl9 N4 O11 -","- C44 H43 Cl9 N4 O11 -","- C176 H172 Cl36 N16 O44 -","4","1","","Jiang Zhu; Xiao-Zhong Wang; Ying-Qi Chen; Xi-Kui Jiang; Xin-Zhi Chen; Zhan-Ting Li","Hydrogen-Bonding-Induced Planar, Rigid, and Zigzag Oligoanthranilamides. Synthesis, Characterization, and Self-Assembly of a Metallocyclophane","Journal of Organic Chemistry","2004","69","","6221","6227","10.1021/jo0490705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021148","11.2372","0.0005","11.9537","0.0006","13.4405","0.0007","108.688","0.001","101.864","0.001","110.031","0.001","1502.52","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N2 O8 S2 -","- C30 H34 N2 O8 S2 -","- C60 H68 N4 O16 S4 -","2","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021149","7.8742","0.0005","10.9568","0.0007","18.8676","0.0013","90","","95.066","0.001","90","","1621.46","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021150","11.8392","0.001","13.5708","0.0012","19.6855","0.0017","90","","90","","90","","3162.8","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C128 H152 N8 O32 S8 -","8","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021151","22.7714","0.0019","7.0844","0.0006","12.2938","0.001","90","","105","0.002","90","","1915.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C84 H84 N4 O16 S4 -","4","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021152","11.5464","0.0007","12.6654","0.0007","13.7559","0.0008","76.689","0.001","78.49","0.001","76.086","0.001","1877.91","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H21 N2 O8 S2 -","- C42 H42 N2 O8 S2 -","- C84 H84 N4 O16 S4 -","2","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4021153","8.3786","0.0008","10.0236","0.0009","11.8815","0.0011","72.928","0.002","82.031","0.002","88.454","0.002","944.57","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C42 H42 N2 O8 S2 -","2","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021154","15.5582","0.0011","6.2066","0.0004","17.6759","0.0012","90","","103.869","0.002","90","","1657.09","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C68 H68 N4 O20 S4 -","4","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021155","10.65","0.0011","9.1599","0.001","11.4988","0.0013","90","","115.191","0.002","90","","1015.06","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 O2 Si4 -","- C14 H26 O2 Si4 -","- C28 H52 O4 Si8 -","2","0.5","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021156","9.0501","0.0009","10.546","0.0011","31.943","0.003","90","","90","","90","","3048.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O2 Si2 -","- C14 H18 O2 Si2 -","- C112 H144 O16 Si16 -","8","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021157","27.813","0.002","6.2336","0.0004","13.4923","0.0009","90","","109.808","0.001","90","","2200.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H27 N O3 Si2 -","- C19 H27 N O3 Si2 -","- C76 H108 N4 O12 Si8 -","4","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021158","6.1392","0.0007","14.1715","0.0015","18.568","0.002","90","","95.938","0.002","90","","1606.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O Si2 -","- C15 H22 O Si2 -","- C60 H88 O4 Si8 -","4","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021159","6.1627","0.001","10.0079","0.0016","14.704","0.002","70.28","0.003","79.425","0.003","83.012","0.003","837.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 O Si2 -","- C16 H24 O Si2 -","- C32 H48 O2 Si4 -","2","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021160","12.861","0.012","8.918","0.008","10.364","0.01","90","","102.577","0.017","90","","1160.1","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O2 Si4 -","- C20 H28 O2 Si4 -","- C40 H56 O4 Si8 -","2","0.5","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021161","8.9168","0.0012","10.1941","0.0014","10.4065","0.0014","104.682","0.002","114.636","0.002","91.116","0.003","823.29","0.19","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O -","- C15 H14 O -","- C45 H42 O3 -","3","1.5","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021162","16.5047","0.0014","9.6141","0.0008","15.5962","0.0014","90","","99.292","0.002","90","","2442.3","0.4","273","2","273","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H32 O3 Si4 -","- C19 H32 O3 Si4 -","- C76 H128 O12 Si16 -","4","2","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021163","10.575","0.002","15.203","0.003","18.436","0.004","90","","91.464","0.004","90","","2963","1","150","2","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H29.5 Br2 N8 O3.75 -","- C26 H22 Br2 N8 O3.75 -","- C104 H88 Br8 N32 O15 -","4","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021164","15.166","0.003","11.716","0.002","14.637","0.002","90","","120.821","0.002","90","","2233.5","0.7","130","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","0.5","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021165","8.8032","0.0008","9.5861","0.0009","14","0.001","80.508","0.001","84.667","0.001","78.382","0.001","1139.2","0.17","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Br2 N5 O -","- C22 H25 Br2 N5 O -","- C44 H50 Br4 N10 O2 -","2","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4021166","8.765","0.0005","11.6935","0.0007","25.16","0.002","90","","96.921","0.002","90","","2560","0.3","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Br2 N5 O -","- C25 H31 Br2 N5 O -","- C100 H124 Br8 N20 O4 -","4","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021167","18.661","0.001","23.019","0.001","15.0869","0.0008","90","","101.066","0.001","90","","6360.2","0.6","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H46 Br2 N4 O2.5 -","- C31.5 H44 Br2 N4 O2.5 -","- C252 H352 Br16 N32 O20 -","8","2","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4021168","9.7626","0.0009","13.5268","0.001","19.073","0.002","90","","91.604","0.001","90","","2517.7","0.4","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Br2 N4 O2 -","- C25 H32 Br2 N4 O2 -","- C100 H128 Br8 N16 O8 -","4","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021169","10.5409","0.0007","13.3867","0.0009","14.198","0.001","92.181","0.002","105.02","0.002","112.622","0.002","1764.7","0.2","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 Br2 N4 O5 -","- C33 H50 Br2 N4 O5 -","- C66 H100 Br4 N8 O10 -","2","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4021170","13.625","0.004","13.625","0.004","17.1","0.003","90","","90","","90","","3174","2","300","2","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C28 H41 Br2 N4 O4 -","- C28 H41 Br2 N4 O3.5 -","- C112 H164 Br8 N16 O14 -","4","0.25","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","208203","2020-10-21","18:00:00",""
"4021171","8.8418","0.0007","11.978","0.001","12.1904","0.001","69.056","0.001","89.769","0.001","72.941","0.001","1145.33","0.16","300","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Br2 N4 O -","- C23 H26 Br2 N4 O -","- C46 H52 Br4 N8 O2 -","2","1","","Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams","Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies","Journal of Organic Chemistry","2004","69","","7640","7652","10.1021/jo049097o","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4021172","27.211","0.003","27.211","0.003","27.211","0.003","118.6","0.02","118.6","0.02","118.6","0.02","6150","25","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C43 H47 Cl N2 O7 -","- C43 H47 Cl N2 O7 -","- C258 H282 Cl6 N12 O42 -","6","1","","Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán","Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids","Journal of Organic Chemistry","2004","69","","6883","6885","10.1021/jo049113h","","","","","","","0.0783","","","0.2303","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021173","35.941","0.008","13.913","0.003","25.759","0.006","90","","116.022","0.004","90","","11574.8","4.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C51 H54 Cl N7 O11 -","- C51 H54 Cl N7 O11 -","- C408 H432 Cl8 N56 O88 -","8","2","","Ana I. Oliva; Luis Simón; Francisco M. Muñiz; Francisca Sanz; Caridad Ruiz-Valero; Joaquń R. Morán","Chromogenic Charge Transfer Cleft-Type Tetrahydrobenzoxanthene Enantioselective Receptors for Dinitrobenzoylamino Acids","Journal of Organic Chemistry","2004","69","","6883","6885","10.1021/jo049113h","","","","","","","0.1476","","","0.3526","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021174","12.212","0.0002","9.663","0.0002","14.228","0.0003","90","","97.366","0.0014","90","","1665.11","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Radan Schiller; Milan Pour; Helena Fáková; Jiři Kuneš; Ivana Císařová","Neighboring Group Effect in Pd-Catalyzed Carbonylation Terminated by Lactonization: A Need for a Protective Group and/or DMF","Journal of Organic Chemistry","2004","69","","6761","6765","10.1021/jo049114+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021175","12.112","0.008","6.291","0.004","13.038","0.009","90","","98.248","0.009","90","","983.1","1.2","123","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-1-aminobenz[f]indan-2-ol, (S)-2-(3-methylphenyl)propionic acid","","","- C23 H25 N O3 -","- C23 H24 N O3 -","- C46 H48 N2 O6 -","2","1","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021176","10.04","0.02","6.261","0.01","17.58","0.03","90","","95.48","0.02","90","","1100","3.4","123","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-1-aminobenz[f]indan-2-ol, (S)-2-(4-isobutylphenyl)propionic acid","","","- C26 H31 N O3 -","- C26 H30 N O3 -","- C52 H60 N2 O6 -","2","1","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021177","12.81","0.02","6.099","0.007","12.65","0.01","90","","95.28","0.02","90","","984.1","1.7","123","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-1-aminobenz[f]indan-2-ol,(S)-3-phenylbutyric acid","","","- C23 H25 N O3 -","- C23 H24 N O3 -","- C46 H48 N2 O6 -","2","1","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021178","11.206","0.003","13.618","0.006","5.869","0.003","97.73","0.03","99.51","0.03","75.43","0.03","850.9","0.6","296.1","","","","","","","","","","","4","P 1","P 1","1","(1S,2R)-1-aminoindan-2-ol,(R)-3-phenylbutyric acid","","","- C19 H23 N O3 -","- C19 H22 N O3 -","- C38 H44 N2 O6 -","2","2","","Yuka Kobayashi; Toshie Kurasawa; Kazushi Kinbara; Kazuhiko Saigo","Rational Design of CH/π Interaction Sites in a Basic Resolving Agent","Journal of Organic Chemistry","2004","69","","7436","7441","10.1021/jo049154d","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021179","8.8931","0.0018","11.851","0.002","10.408","0.002","90","","97.25","0.03","90","","1088.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","","Per Wiklund; Mark Rogers-Evans; Jan Bergman","Synthesis of 1,4-Benzodiazepine-3,5-diones","Journal of Organic Chemistry","2004","69","","6371","6376","10.1021/jo049169b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021180","4.996","0.0002","14.473","0.0007","16.455","0.0008","90","","90","","90","","1189.81","0.09","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 N -","- C18 H11 N -","- C72 H44 N4 -","4","1","","Srinivasan Selvi; Shih-Chieh Pu; Yi-Ming Cheng; Jim-Min Fang; Pi-Tai Chou","Highly Fluorescent Pyreno[2,1-b]pyrroles: First Syntheses, Crystal Structure, and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","6674","6678","10.1021/jo049192x","","","","","","","0.0748","","","0.1487","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021181","7.832","0.0003","7.982","0.0005","15.775","0.0009","97.1","0.002","96.593","0.002","117.374","0.002","852.39","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N O2 -","- C23 H16 N O2 -","- C46 H32 N2 O4 -","2","1","","Srinivasan Selvi; Shih-Chieh Pu; Yi-Ming Cheng; Jim-Min Fang; Pi-Tai Chou","Highly Fluorescent Pyreno[2,1-b]pyrroles: First Syntheses, Crystal Structure, and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","6674","6678","10.1021/jo049192x","","","","","","","0.0646","","","0.1678","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021182","10.6243","0.0001","16.1488","0.0002","23.9876","0.0004","90","","90","","90","","4115.55","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H43 Cl N3 P Pd -","- C51 H43 Cl N3 P Pd -","- C204 H172 Cl4 N12 P4 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021183","13.2921","0.0001","14.3043","0.0002","21.8897","0.0002","90","","90","","90","","4161.98","0.08","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl N3 P Pd -","- C48 H45 Cl N3 P Pd -","- C192 H180 Cl4 N12 P4 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021184","13.207","0.0007","13.9716","0.0008","25.6685","0.0014","90","","90","","90","","4736.4","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H39 Cl6 F6 N3 P2 Pd -","- C46 H39 Cl6 F6 N3 P2 Pd -","- C184 H156 Cl24 F24 N12 P8 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021185","11.4972","0.0001","15.6101","0.0001","21.7615","0.0002","90","","90","","90","","3905.59","0.06","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H39.4 F6 N3 O0.2 P2 Pd -","- C45 H39 F5.96 N3 O0.2 P2 Pd -","- C180 H156 F23.84 N12 O0.8 P8 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021186","11.2498","0.0012","16.1672","0.0017","11.379","0.0012","90","","92.273","0.002","90","","2068","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H43 F6 N3 P2 Pd -","- C47 H43 F6 N3 P2 Pd -","- C94 H86 F12 N6 P4 Pd2 -","2","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","178389","2020-10-21","18:00:00",""
"4021187","18.17","0.003","28.681","0.003","14.745","0.003","90","","104","0.01","90","","7456","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H104 N6 O13 -","- C78 H99.456 N6 O13 -","- C312 H397.824 N24 O52 -","4","0.5","","Amanda J. Gallant; Brian O. Patrick; Mark J. MacLachlan","Mild and Selective Reduction of Imines: Formation of an Unsymmetrical Macrocycle","Journal of Organic Chemistry","2004","69","","8739","8744","10.1021/jo049197u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178389","2020-10-21","18:00:00",""
"4021188","9.1297","0.0012","14.984","0.002","13.598","0.002","90","","94.62","0.02","90","","1854.2","0.4","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N6 S -","- C19 H16 N6 S -","- C76 H64 N24 S4 -","4","1","","Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler","Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores","Journal of Organic Chemistry","2004","69","","8239","8243","10.1021/jo049230c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021189","9.471","0.002","10.193","0.002","12.338","0.003","69.97","0.009","88.88","0.02","83.964","0.013","1112.6","0.4","183","","183","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17.31 Cl2.69 N6 S -","- C20 H17.309 Cl2.691 N6 S -","- C40 H34.618 Cl5.382 N12 S2 -","2","1","","Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler","Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores","Journal of Organic Chemistry","2004","69","","8239","8243","10.1021/jo049230c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021190","7.5253","0.0007","9.0591","0.0013","20.415","0.003","90","","90","","90","","1391.8","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","","Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler","Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores","Journal of Organic Chemistry","2004","69","","8239","8243","10.1021/jo049230c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021191","8.8462","0.0003","13.2625","0.0003","13.9418","0.0004","79.149","0.001","75.73","0.001","81.734","0.001","1548.71","0.07","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 F N2 O3 S -","- C16 H12.5 F N2 O3 S -","- C64 H50 F4 N8 O12 S4 -","4","2","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0815","","","0.1167","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021192","9.839","0.0002","10.523","0.0002","27.04","0.0005","90","0.001","90.86","0.001","90.01","0.001","2799.29","0.08","293.2","","293.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 F N2 O5 S -","- C28 H33 F N2 O5 S -","- C112 H132 F4 N8 O20 S4 -","4","1","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0726","","","0.0873","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021193","9.3719","0.0002","10.8785","0.0004","12.7849","0.0005","86.311","0.002","82.031","0.001","65.274","0.002","1172.48","0.07","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 F N2 O4 S2 -","- C24 H21 F N2 O4 S2 -","- C48 H42 F2 N4 O8 S4 -","2","1","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.1263","","","0.1305","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021194","10.0094","0.0002","13.2628","0.0003","35.0466","0.0005","90.009","0.001","90.011","0.001","89.986","0.001","4652.5","0.1","293.2","","293.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H27 F N2 O4 S -","- C24 H27 F N2 O4 S -","- C192 H216 F8 N16 O32 S8 -","8","1","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0448","","","0.047","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021195","9.1023","0.0002","9.7623","0.0003","14.385","0.0004","86.987","0.001","86.25","0.001","69.955","0.001","1197.62","0.05","293.2","","293.2","","","","","","","","","4","P 1","P 1","1","","","","- C27 H28 N3 O3.5 -","- C27.5 H26 N3 O4 -","- C55 H52 N6 O8 -","2","2","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0739","","","0.116","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021196","11.9556","0.0002","13.4798","0.0003","13.754","0.0003","65.596","0.001","70.13","0.001","79.132","0.001","1895.37","0.07","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 F N2 O3 S -","- C20 H17 F N2 O3 S -","- C80 H68 F4 N8 O12 S4 -","4","2","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0582","","","0.0759","","","","","","","","","","","has coordinates","209045","2020-10-21","18:00:00",""
"4021197","7.941","0.004","7.367","0.004","13.372","0.006","90","0.1","97.4","0.04","90","0.2","775.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C32 H40 O6 S2 -","2","1","","Naoyoshi Maezaki; Hiroaki Sawamoto; Sachiko Yuyama; Ryoko Yoshigami; Tomoko Suzuki; Mayuko Izumi; Hirofumi Ohishi; Tetsuaki Tanaka","Asymmetric Intramolecular Michael Addition of α-Sulfinyl Vinylic Carbanion to Enoates","Journal of Organic Chemistry","2004","69","","6335","6340","10.1021/jo0492923","","","","","","","0.0734","","","0.2116","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021198","9.589","0.006","11.098","0.007","12.723","0.008","104.172","0.009","97.689","0.01","107.21","0.009","1222.5","1.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","spiro-furooxindole","","","- C30 H23 N O6 -","- C30 H21.5 N O6 -","- C60 H43 N2 O12 -","2","1","","Sengodagounder Muthusamy; Chidambaram Gunanathan; Munirathinam Nethaji","Multicomponent Reactions of Diazoamides: Diastereoselective Synthesis of Mono- and Bis-spirofurooxindoles","Journal of Organic Chemistry","2004","69","","5631","5637","10.1021/jo0493119","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021199","20.9249","0.0013","9.3581","0.0006","26.1944","0.0016","90","","90","","90","","5129.3","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Cl2 I N2 O3 -","- C25 H27 Cl2 I N2 O3 -","- C200 H216 Cl16 I8 N16 O24 -","8","1","","Shengming Ma; Bukuo Ni; Zhiqiang Liang","Highly Selective Synthesis of Bicyclic Quinolizidine Alkaloids and Their Analogues via Double RCM Reaction of N-Alkynyl-N-(1,ω)-alkadienyl Acrylamides","Journal of Organic Chemistry","2004","69","","6305","6309","10.1021/jo0493121","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021200","8.2029","0.0008","19.488","0.002","8.3016","0.0008","90","","90.423","0.002","90","","1327","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 B3 N O3 -","- C11 H14 B3 N O3 -","- C44 H56 B12 N4 O12 -","4","1","","Neola F. McKinley; Donal F. O'Shea","Efficient Synthesis of Aryl Vinyl Ethers Exploiting 2,4,6-Trivinylcyclotriboroxane as a Vinylboronic Acid Equivalent","Journal of Organic Chemistry","2004","69","","5087","5092","10.1021/jo049314l","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021201","12.689","0.003","11.775","0.002","19.05","0.004","90","","104.04","0.03","90","","2761.3","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 Cl F8 O4 S -","- C27 H15 Cl F8 O4 S -","- C108 H60 Cl4 F32 O16 S4 -","4","1","","Chunhui Xing; Shizheng Zhu","Unexpected Formation of Tetrasubstituted 2,3-Dihydrofurans from the Reactions of β-Keto Polyfluoroalkanesulfones with Aldehydes","Journal of Organic Chemistry","2004","69","","6486","6488","10.1021/jo049317y","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021202","8.8288","0.0002","9.2367","0.0002","11.4322","0.0003","102.034","0.0009","109.597","0.0011","97.3298","0.001","839.01","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C40 H36 N4 O4 S2 -","2","1","","Antonín Klásek; Vladimír Mrkvička; Andrej Pevec; Janez Košmrlj","Novel Tandem Hydration/Cyclodehydration of α-Thiocyanatoketones to 2-Oxo-3-thiazolines. Application to Thiazolo[5,4-c]quinoline-2,4(3aH,5H)-dione Synthesis","Journal of Organic Chemistry","2004","69","","5646","5651","10.1021/jo0493370","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021203","10.4315","0.0002","10.9832","0.0002","17.7826","0.0004","78.0515","0.0008","74.4187","0.0008","63.0264","0.001","1740.38","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 D6 N2 O3 S2 -","- C18 H16 N2 O3 S2 -","- C72 H64 N8 O12 S8 -","4","2","","Antonín Klásek; Vladimír Mrkvička; Andrej Pevec; Janez Košmrlj","Novel Tandem Hydration/Cyclodehydration of α-Thiocyanatoketones to 2-Oxo-3-thiazolines. Application to Thiazolo[5,4-c]quinoline-2,4(3aH,5H)-dione Synthesis","Journal of Organic Chemistry","2004","69","","5646","5651","10.1021/jo0493370","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021204","34.068","0.0004","5.908","0.0002","17.56","0.0007","90","","115.704","0.002","90","","3184.6","0.2","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","1","","Arumugasamy Elangovan; Jui-Hsien Lin; Shu-Wen Yang; Hsien-Yi Hsu; Tong-Ing Ho","Synthesis and Electrogenerated Chemiluminescence of Donor-Substituted Phenylethynylcoumarins","Journal of Organic Chemistry","2004","69","","8086","8092","10.1021/jo0493424","","","","","","","0.0582","","","0.1354","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021205","6.5986","0.0007","6.5986","0.0007","53.743","0.008","90","","90","","90","","2340","0.5","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","2-(3-pyridinyl) 2-adamantanol","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti; Romina Rompietti","Conformational Studies by Dynamic NMR. 100. Enantiomerization Process of Stereolabile Atropisomers in Pyridine-Substituted Adamantane Derivatives","Journal of Organic Chemistry","2004","69","","5746","5748","10.1021/jo0493471","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021206","10.6837","0.0004","6.2994","0.0003","18.8641","0.0008","90","","102.031","0.003","90","","1241.69","0.08","198.2","","198.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H37 N O5 S Si -","- C23 H37 N O5 S Si -","- C46 H74 N2 O10 S2 Si2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021207","21.9379","0.0008","13.6295","0.0004","23.4087","0.0008","90","","95.352","0.001","90","","6968.8","0.4","173.2","","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O7 S -","- C24 H26 N2 O7 S -","- C288 H312 N24 O84 S12 -","12","3","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021208","7.6587","0.0006","13.4467","0.0008","21.746","0.002","90","","96.428","0.004","90","","2225.5","0.3","173.2","","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O7 S -","- C23 H24 N2 O7 S -","- C92 H96 N8 O28 S4 -","4","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021209","7.2502","0.0004","9.5567","0.0002","11.4933","0.0004","74.275","0.007","88.836","0.009","82.337","0.007","759.59","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C32 H42 N2 O8 S2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021210","16.729","0.003","5.8591","0.0006","11.03","0.002","90","","124.594","0.005","90","","890","0.2","173.2","","173.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021211","8.487","0.001","9.995","0.001","11.49","0.001","102.914","0.004","98.745","0.004","103.773","0.004","900.72","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N O3 S -","- C20 H27 N O3 S -","- C40 H54 N2 O6 S2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021212","7.671","0.002","18.709","0.006","12.796","0.004","90","","102.651","0.007","90","","1791.7","0.9","173.2","","173.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones","Journal of Organic Chemistry","2004","69","","5676","5683","10.1021/jo049356+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021213","7.4427","0.0006","10.3584","0.0005","13.936","0.001","71.63","0.02","78.15","0.02","65.69","0.02","925.7","0.2","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Br N O4 S -","- C18 H24 Br N O4 S -","- C36 H48 Br2 N2 O8 S2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Synthesis of Functionalized 1-Azaspirocyclic Cyclopentanones Using Bronsted Acid or N-Bromosuccinimide Promoted Ring Expansions","Journal of Organic Chemistry","2004","69","","5668","5675","10.1021/jo0493572","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021214","8.5128","0.0003","10.6631","0.0005","11.7965","0.0003","82.36","0.007","72.012","0.007","87.946","0.008","1009.41","0.08","173.2","","173.2","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Br N O3 S -","- C22 H24 Br N O3 S -","- C44 H48 Br2 N2 O6 S2 -","2","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Synthesis of Functionalized 1-Azaspirocyclic Cyclopentanones Using Bronsted Acid or N-Bromosuccinimide Promoted Ring Expansions","Journal of Organic Chemistry","2004","69","","5668","5675","10.1021/jo0493572","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021215","7.7471","0.0005","10.4488","0.0007","23.685","0.002","90","","94.995","0.004","90","","1909.9","0.2","173.2","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Br N O3 S -","- C19 H24 Br N O3 S -","- C76 H96 Br4 N4 O12 S4 -","4","1","","Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick","Synthesis of Functionalized 1-Azaspirocyclic Cyclopentanones Using Bronsted Acid or N-Bromosuccinimide Promoted Ring Expansions","Journal of Organic Chemistry","2004","69","","5668","5675","10.1021/jo0493572","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021216","14.179","0.0004","16.536","0.0005","19.672","0.0006","107.62","0.001","97.17","0.001","114.33","0.001","3836.7","0.2","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C162 H156 N8 O14 -","- C81 H78 N4 O7 -","- C162 H156 N8 O14 -","2","2","","Zi-Bo Li; Jing Lin; Hui-Chang Zhang; Michal Sabat; Marilise Hyacinth; Lin Pu","Macrocyclic Bisbinaphthyl Fluorophores and Their Acyclic Analogues: Signal Amplification and Chiral Recognition","Journal of Organic Chemistry","2004","69","","6284","6293","10.1021/jo049366a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021217","10.641","0.003","18.805","0.005","34.692","0.009","90","","90","","90","","6942","3","150.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73.5 H66.5 Cl8.5 N2 O2.5 P2 Pd2 -","- C73.97 H66.5 Cl8.5 N2 O2.5 P2 Pd2 -","- C295.88 H266 Cl34 N8 O10 P8 Pd8 -","4","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021218","10.841","0.003","12.86","0.003","13.625","0.003","100.916","0.003","96.331","0.003","104.576","0.003","1780","0.8","173.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C74 H66 Cl10 N2 O2 P2 Pd2 -","- C74 H66 Cl10 N2 O2 P2 Pd2 -","- C74 H66 Cl10 N2 O2 P2 Pd2 -","1","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021219","11.253","0.002","14.021","0.002","22.776","0.003","90","","90","","90","","3593.8","0.9","173.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 Cl5 N O P Pt -","- C37 H33 Cl5 N O P Pt -","- C148 H132 Cl20 N4 O4 P4 Pt4 -","4","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021220","30.16","0.001","14.1","0.0004","17.32","0.0005","90","","90","","90","","7365.4","0.4","173.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl2 N O4 P Pd -","- C39 H32 Cl2 N O3.5 P Pd -","- C312 H256 Cl16 N8 O28 P8 Pd8 -","8","2","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021221","12.259","0.003","10.597","0.002","12.465","0.003","90","","93.697","0.001","90","","1615.9","0.6","173.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl2 N O2 P Pd -","- C36 H32 Cl2 N O2 P Pd -","- C72 H64 Cl4 N2 O4 P2 Pd2 -","2","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021222","12.785","0.003","14.625","0.004","19.215","0.005","90","","90","","90","","3593","1","173.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Cl5 N O P Pd -","- C39 H35 Cl5 N O P Pd -","- C156 H140 Cl20 N4 O4 P4 Pd4 -","4","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021223","12.12","0.003","18.035","0.004","9.63","0.002","90","","90","","90","","2105","0.9","298","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H29 N O3 -","- C24 H27.5 N O3 -","- C96 H110 N4 O12 -","4","1","","Katsunori Tanaka; Toyoharu Kobayashi; Hajime Mori; Shigeo Katsumura","Development of Highly Stereoselective Asymmetric 6π-Azaelectrocyclization of Conformationally Flexible Linear 1-Azatrienes. From Determination of Multifunctional Chiral Amines, 7-Alkyl cis-1-Amino-2-indanols, to Application as a New Synthetic Strategy: Formal Synthesis of 20-Epiuleine","Journal of Organic Chemistry","2004","69","","5906","5925","10.1021/jo049381f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021224","11.4839","0.0001","13.9771","0.0008","11.4027","0.0002","90","","45.477","0.002","90","","1304.93","0.08","296.1","","","","","","","","","","","5","P 1 a 1","P -2ya","7","","","","- C30 H30 N O P -","- C30 H30 N O P -","- C60 H60 N2 O2 P2 -","2","1","","Takahiro Nishimura; Yoshiki Nishiguchi; Yasunari Maeda; Sakae Uemura","Palladium-Catalyzed Transformation of Cyclobutanone O-Benzoyloximes to Nitriles via C-C Bond Cleavage","Journal of Organic Chemistry","2004","69","","5342","5347","10.1021/jo049385k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021225","9.685","0.003","20.895","0.005","11.748","0.003","90","","108.501","0.003","90","","2254.6","1","123.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe O4 -","- C28 H26 Fe O4 -","- C112 H104 Fe4 O16 -","4","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021226","14.79","0.002","15.017","0.002","17.581","0.002","107.85","0.005","92.253","0.005","119.304","0.005","3155.8","0.7","108.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C156 H152 Fe6 O12 -","- C156 H135 Fe6 O12 -","- C156 H135 Fe6 O12 -","1","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021227","11.453","0.004","7.475","0.003","14.766","0.002","90","","105.35","0.02","90","","1219","0.7","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 Fe O4 -","- C28 H26 Fe O4 -","- C56 H52 Fe2 O8 -","2","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021228","11.342","0.001","8.556","0.001","11.415","0.001","90","","70.701","0.005","90","","1045.6","0.2","108.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 Fe N O2 -","- C26 H25 Fe N O2 -","- C52 H50 Fe2 N2 O4 -","2","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021229","12.374","0.003","23.286","0.002","7.684","0.002","90","","90","","90","","2214.3","0.7","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Fe N O -","- C26 H27 Fe N O -","- C104 H108 Fe4 N4 O4 -","4","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021230","8.1918","0.0003","11.178","0.0005","13.5924","0.0007","90","","96.492","0.0019","90","","1236.65","0.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C64 H40 N8 O8 -","4","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021231","15.6042","0.0006","8.7485","0.0004","11.0256","0.0005","90","","120.186","0.0019","90","","1301.04","0.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021232","14.4551","0.0003","16.5721","0.0005","8.0504","0.0004","90","","90","","90","","1928.48","0.12","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021233","10.015","0.002","14.07","0.002","17.975","0.003","90","","90","","90","","2532.8","0.7","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Si2 -","- C30 H28 Si2 -","- C120 H112 Si8 -","4","1","","Keigo Suzuki; Yusuke Kawakami; Devadasan Velmurugan; Takashi Yamane","Stereoselective Synthesis of Optically Active Disilanes and Selective Functionalization by the Cleavage of Silicon-Naphthyl Bonds with Bromine","Journal of Organic Chemistry","2004","69","","5383","5389","10.1021/jo049398y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021234","23.275","0.002","18.33","0.002","22.8247","0.0018","90","","116.592","0.006","90","","8707.8","1.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100.5 H117 N4 O4.5 -","- C100.5 H112.5 N4 O4.5 -","- C402 H450 N16 O18 -","4","1","","Jonathan P. Hill; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell; Amy Lea McCarty; Paul A. Karr; Melvin E. Zandler; Francis D'Souza","Highly Nonplanar, Electron Deficient, N-Substituted tetra-Oxocyclohexadienylidene Porphyrinogens: Structural, Computational, and Electrochemical Investigations","Journal of Organic Chemistry","2004","69","","5861","5869","10.1021/jo049401d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021235","22.669","0.007","20.1","0.006","23.474","0.007","90","","118.169","0.004","90","","9429","5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C110 H130 N4 O4 -","- C110 H130 N4 O4 -","- C440 H520 N16 O16 -","4","1","","Jonathan P. Hill; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell; Amy Lea McCarty; Paul A. Karr; Melvin E. Zandler; Francis D'Souza","Highly Nonplanar, Electron Deficient, N-Substituted tetra-Oxocyclohexadienylidene Porphyrinogens: Structural, Computational, and Electrochemical Investigations","Journal of Organic Chemistry","2004","69","","5861","5869","10.1021/jo049401d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021236","12.448","0.005","22.616","0.005","8.839","0.002","90","","90","","90","","2488.5","0.1","298.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N2 O3 P -","- C26 H29 N2 O3 P -","- C104 H116 N8 O12 P4 -","4","1","","Yoshinori Kohmura; Toshiaki Mase","A Highly Stereoselective Synthesis of Optically Active Trisubstituted 1,2-Ethylenediamines: The First Example of Grignard Addition to N-Diphenylphosphinoyl Ketimines Derived from Amino Acids","Journal of Organic Chemistry","2004","69","","6329","6334","10.1021/jo049405i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021237","30.022","0.002","8.7667","0.0007","25.924","0.002","90","","91.413","0.002","90","","6821","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 O8 -","- C40 H40 O8 -","- C320 H320 O64 -","8","1","","Jun-Li Hou; Mu-Xin Jia; Xi-Kui Jiang; Zhan-Ting Li; Guang-Ju Chen","Solvophobically-Driven Oligo(ethylene glycol) Helical Foldamers. Synthesis, Characterization, and Complexation with Ethane-1,2-diaminium","Journal of Organic Chemistry","2004","69","","6228","6237","10.1021/jo049420n","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021238","6.45","0.002","18.538","0.007","20.6","0.008","90","","90","","90","","2463.1","1.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O6 S -","- C28 H28 N2 O6 S -","- C112 H112 N8 O24 S4 -","4","1","","Alisher B. Khasanov; Michele M. Ramirez-Weinhouse; Thomas R. Webb; Mohan Thiruvazhi","Novel Asymmetric Approach to Proline-Derived Spiro-β-lactams","Journal of Organic Chemistry","2004","69","","5766","5769","10.1021/jo049430o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021239","14.229","0.0007","18.035","0.0007","25.137","0.0009","72.471","0.0015","88.187","0.0012","80.469","0.0013","6065.1","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C153.5 H106 Cl8.18 -","- C153.5 H106 Cl8.1776 -","- C307 H212 Cl16.3552 -","2","1","","Jishan Wu; Željko Tomovič; Volker Enkelmann; Klaus Müllen","From Branched Hydrocarbon Propellers to C~3~-Symmetric Graphite Disks","Journal of Organic Chemistry","2004","69","","5179","5186","10.1021/jo049452a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021240","11.84","0.01","18.897","0.005","11.573","0.003","104.16","0.02","96.25","0.05","82.52","0.05","2481","2","293.2","","293.2","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H68 O10 -","- C52 H68 O10 -","- C104 H136 O20 -","2","1","","Noa Seri; Iris Thondorf; Silvio E. Biali","Preparation and Conformation of Dioxocalix[4]arene Derivatives","Journal of Organic Chemistry","2004","69","","4774","4780","10.1021/jo049466g","","","","","","","0.077","","","0.118","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021241","15.4","0.01","12.935","0.004","27.73","0.01","90","","105.76","0.05","90","","5317","4","293.2","","293.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 N2 O12 -","- C56 H56 N3 O16 -","- C224 H224 N12 O64 -","4","1","","Noa Seri; Iris Thondorf; Silvio E. Biali","Preparation and Conformation of Dioxocalix[4]arene Derivatives","Journal of Organic Chemistry","2004","69","","4774","4780","10.1021/jo049466g","","","","","","","0.089","","","0.125","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021242","8.6067","0.0016","14.92","0.003","14.587","0.003","90","","93.004","0.003","90","","1870.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H53.36 O6.68 -","- C44 H52 O6.682 -","- C88 H104 O13.364 -","2","0.5","","Noa Seri; Iris Thondorf; Silvio E. Biali","Preparation and Conformation of Dioxocalix[4]arene Derivatives","Journal of Organic Chemistry","2004","69","","4774","4780","10.1021/jo049466g","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021243","11.274","0.007","16.489","0.008","11.217","0.005","90","","90","","90","","2085","2","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 N O2 P -","- C24 N O2 P -","- C96 N4 O8 P4 -","4","2","","Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita","Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone","Journal of Organic Chemistry","2004","69","","6679","6687","10.1021/jo049469t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021244","15.651","0.004","6.518","0.002","12.89","0.004","90","","96.18","0.02","90","","1307.3","0.7","298","","","","","","","","","","","6","P 1","P 1","1","","","","- C27 H34 N O2 P Si -","- C27 N O2 P Si -","- C54 N2 O4 P2 Si2 -","2","2","","Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita","Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone","Journal of Organic Chemistry","2004","69","","6679","6687","10.1021/jo049469t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021245","10.4","0.003","11.376","0.003","11.875","0.003","64.595","0.003","73.545","0.003","80.628","0.003","1215.7","0.5","100.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C25 H29 Cl2 N O2.5 P Pd -","- C25 H27.5 Cl2 N O2.5 P Pd -","- C50 H55 Cl4 N2 O5 P2 Pd2 -","2","2","","Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita","Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone","Journal of Organic Chemistry","2004","69","","6679","6687","10.1021/jo049469t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021246","25.1927","0.0007","12.5759","0.0004","30.9084","0.0009","90","","90","","90","","9792.4","0.5","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H63 Cl2 I O4 -","- C52 H63 Cl2 I O4 -","- C416 H504 Cl16 I8 O32 -","8","1","","Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza","Multinuclear Calixarene Synthons with Covalently Linked Aryl-Palladium(II) Complexes","Journal of Organic Chemistry","2004","69","","6394","6403","10.1021/jo0494782","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021247","15.1582","0.0006","26.6443","0.0008","22.1283","0.0007","90","","101.198","0.002","90","","8767","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H102 Cl6 I2 O6 -","- C86 H102 Cl6 I2 O6 -","- C344 H408 Cl24 I8 O24 -","4","1","","Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza","Multinuclear Calixarene Synthons with Covalently Linked Aryl-Palladium(II) Complexes","Journal of Organic Chemistry","2004","69","","6394","6403","10.1021/jo0494782","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021248","6.0831","0.0002","11.3917","0.0005","20.053","0.001","90","","90","","90","","1389.6","0.1","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N5 O2 -","- C13 H16 N5 O2 -","- C52 H64 N20 O8 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021249","6.5406","0.0001","13.1924","0.0003","25.7914","0.0008","90","","95.0885","0.0009","90","","2216.67","0.09","298","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N7 -","- C26 H20 N7 -","- C104 H80 N28 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021251","7.3818","0.0003","17.5152","0.0009","12.1987","0.0008","90","","120","0.18","90","","1407.07","0.13","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N5 O2 -","- C13 H16 N5 O2 -","- C52 H64 N20 O8 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021252","7.6357","0.0002","16.5403","0.0005","13.775","0.0005","90","","105.379","0.0012","90","","1677.44","0.09","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl N5 O6 -","- C13 H16 Cl N5 O6 -","- C52 H64 Cl4 N20 O24 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021253","7.263","0.0006","13.449","0.0012","16.958","0.0015","90","","101.283","0.0052","90","","1624.4","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl N5 O6 -","- C13 H16 Cl N5 O6 -","- C52 H64 Cl4 N20 O24 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021254","9.8869","0.0016","10.2778","0.0016","15.52","0.003","90","","105.827","0.003","90","","1517.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O S -","- C19 H14 O S -","- C76 H56 O4 S4 -","4","1","","Kuo-Jui Chang; Dinesh Kumar Rayabarapu; Chien-Hong Cheng","Cobalt-Catalyzed Regioselective Carbocyclization Reaction of o-Iodophenyl Ketones and Aldehydes with Alkynes, Acrylates, and Acrylonitrile: A Facile Route to Indenols and Indenes","Journal of Organic Chemistry","2004","69","","4781","4787","10.1021/jo049506g","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021255","3.907","0.001","23.189","0.002","8.02","0.001","90","","97.83","0.01","90","","719.8","","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","0.5","","Hsiu-Chih Yeh; Wei-Ching Wu; Yuh-Sheng Wen; De-Chang Dai; Juen-Kai Wang; Chin-Ti Chen","Derivative of α,β-Dicyanostilbene: Convenient Precursor for the Synthesis of Diphenylmaleimide Compounds, E-Z Isomerization, Crystal Structure, and Solid-State Fluorescence","Journal of Organic Chemistry","2004","69","","6455","6462","10.1021/jo049512c","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021256","7.9926","0.0009","9.4626","0.0012","10.6914","0.0015","92.131","0.011","110.063","0.01","74.017","0.01","728.7","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C32 H16 Br4 N4 -","2","1","","Hsiu-Chih Yeh; Wei-Ching Wu; Yuh-Sheng Wen; De-Chang Dai; Juen-Kai Wang; Chin-Ti Chen","Derivative of α,β-Dicyanostilbene: Convenient Precursor for the Synthesis of Diphenylmaleimide Compounds, E-Z Isomerization, Crystal Structure, and Solid-State Fluorescence","Journal of Organic Chemistry","2004","69","","6455","6462","10.1021/jo049512c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021257","8.0332","0.001","11.976","0.002","8.721","0.0013","90","","115.331","0.007","90","","758.34","0.19","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F6 N2 -","- C18 H8 F6 N2 -","- C36 H16 F12 N4 -","2","0.5","","Hsiu-Chih Yeh; Wei-Ching Wu; Yuh-Sheng Wen; De-Chang Dai; Juen-Kai Wang; Chin-Ti Chen","Derivative of α,β-Dicyanostilbene: Convenient Precursor for the Synthesis of Diphenylmaleimide Compounds, E-Z Isomerization, Crystal Structure, and Solid-State Fluorescence","Journal of Organic Chemistry","2004","69","","6455","6462","10.1021/jo049512c","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021258","5.525","0.0002","30.929","0.0013","8.114","0.0004","90","","95.724","0.002","90","","1379.63","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Masakazu Atobe; Naoki Yamazaki; Chihiro Kibayashi","Enantioselective Synthesis of Primary 1-(Aryl)alkylamines by Nucleophilic 1,2-Addition of Organolithium Reagents to Hydroxyoxime Ethers and Application to Asymmetric Synthesis of G-Protein-Coupled Receptor Ligands","Journal of Organic Chemistry","2004","69","","5595","5607","10.1021/jo049517+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021259","10.6008","0.0007","17.7561","0.0012","22.3322","0.0015","90","","90","","90","","4203.6","0.5","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41.8 H30.8 Cl5.4 F3 N4 Ni O6 -","- C41.8 H30.8 Cl5.4 F3 N4 Ni O6 -","- C167.2 H123.2 Cl21.6 F12 N16 Ni4 O24 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki; Rohit Tiwari; Chaozhong Cai; Victor J. Hruby","Virtually Complete Control of Simple and Face Diastereoselectivity in the Michael Addition Reactions between Achiral Equivalents of a Nucleophilic Glycine and (S)- or (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones: Practical Method for Preparation of β-Substituted Pyroglutamic Acids and Prolines","Journal of Organic Chemistry","2004","69","","4984","4990","10.1021/jo0495438","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021260","13.416","0.003","14.882","0.003","16.949","0.003","90","","90","","90","","3384.1","1.1","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Cl2 N4 Ni O8 -","- C36 H34 Cl2 N4 Ni O8 -","- C144 H136 Cl8 N16 Ni4 O32 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki; Rohit Tiwari; Chaozhong Cai; Victor J. Hruby","Virtually Complete Control of Simple and Face Diastereoselectivity in the Michael Addition Reactions between Achiral Equivalents of a Nucleophilic Glycine and (S)- or (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones: Practical Method for Preparation of β-Substituted Pyroglutamic Acids and Prolines","Journal of Organic Chemistry","2004","69","","4984","4990","10.1021/jo0495438","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021261","10.4821","0.0001","14.2325","0.0002","12.542","0.0002","90","","106.365","0.001","90","","1795.29","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br N2 O -","- C22 H19 Br N2 O -","- C88 H76 Br4 N8 O4 -","4","1","","Alexis D. C. Parenty; Louise V. Smith; Alexandra L. Pickering; De-Liang Long; Leroy Cronin","General One-Pot, Three-Step Methodology Leading to an Extended Class of N-Heterocyclic Cations: Spontaneous Nucleophilic Addition, Cyclization, and Hydride Loss","Journal of Organic Chemistry","2004","69","","5934","5946","10.1021/jo0495440","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021262","10.604","0.002","20.826","0.004","14.896","0.003","90","","103.04","0.03","90","","3204.8","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N3 O4 -","- C38 H37 N3 O4 -","- C152 H148 N12 O16 -","4","1","","Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine","First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies","Journal of Organic Chemistry","2004","69","","6521","6527","10.1021/jo0495485","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","205842","2020-10-21","18:00:00",""
"4021263","16.579","0.003","13.251","0.003","24.292","0.005","90","","108.92","0.03","90","","5048.6","1.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H60 Cl2 N4 O4 -","- C53 H58 Cl2 N4 O4 -","- C212 H232 Cl8 N16 O16 -","4","1","","Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine","First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies","Journal of Organic Chemistry","2004","69","","6521","6527","10.1021/jo0495485","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021264","11.505","0.002","11.831","0.002","13.798","0.003","87.57","0.03","81.38","0.03","71.05","0.03","1756.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C84 H92 N4 O12 -","2","1","","Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine","First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies","Journal of Organic Chemistry","2004","69","","6521","6527","10.1021/jo0495485","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021265","8.626","0.004","9.51","0.005","15.009","0.008","85.99","0.04","83.3","0.04","67.9","0.004","1132.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 F2 O Si2 -","- C23 H24 F2 O Si2 -","- C46 H48 F4 O2 Si4 -","2","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021266","10.164","0.002","14.289","0.002","15.983","0.002","77.14","0.01","89.16","0.01","78.98","0.01","2220.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 F2 O Si2 -","- C23 H24 F2 O Si2 -","- C92 H96 F8 O4 Si8 -","4","2","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021267","9.253","0.002","9.381","0.002","19.812","0.005","82.38","0.02","87.18","0.02","70.74","0.002","1609.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 F2 O Si2 -","- C38 H30 F2 O Si2 -","- C76 H60 F4 O2 Si4 -","2","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021268","7.635","0.004","28.691","0.011","7.983","0.003","90","","96.87","0.03","90","","1736.2","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F2 O Si -","- C20 H15 F2 O Si -","- C80 H60 F8 O4 Si4 -","4","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021269","15.9305","0.0012","7.2465","0.0006","28.317","0.002","90","","90","","90","","3268.9","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H17 F O Si -","- C20 H17 F O Si -","- C160 H136 F8 O8 Si8 -","8","2","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021270","10.787","0.003","19.561","0.006","9.255","0.003","90","","95.5","0.03","90","","1943.9","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 F2 I O Si -","- C20 H15 F2 I O Si -","- C80 H60 F8 I4 O4 Si4 -","4","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021271","9.871","0.002","9.926","0.002","12.366","0.002","85.81","0.01","71.51","0.01","83.29","0.01","1140.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F2 O2 Si -","- C27 H20 F2 O2 Si -","- C54 H40 F4 O4 Si2 -","2","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021272","13.193","0.004","19.517","0.006","15.745","0.006","90","","114.12","0.02","90","","3700","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Cu F8 O5 Si2 -","- C27 H46 Cu F8 O5 Si2 -","- C108 H184 Cu4 F32 O20 Si8 -","4","1","","Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch","Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers","Journal of Organic Chemistry","2004","69","","6323","6328","10.1021/jo049551o","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021273","10.23","0.004","11.19","0.006","14.989","0.005","90","","93.24","0.01","90","","1713","1","203.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 N P -","- C17 H26 N P -","- C68 H104 N4 P4 -","4","1","","Kozo Toyota; Subaru Kawasaki; Masaaki Yoshifuji","Preparation and Properties of Phosphaethynes Bearing Bulky Aryl Groups with Electron-Donating Substituents at the Para Position","Journal of Organic Chemistry","2004","69","","5065","5070","10.1021/jo049571q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021274","9.99","0.01","11.47","0.01","13.073","0.005","90","","108.77","0.04","90","","1417","2","295.2","","295.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H40 O4 S2 -","- C30 H38 O4 S2 -","- C60 H76 O8 S4 -","2","1","","Wendy A. Loughlin; Catherine C. Rowen; Peter C. Healy","Probing the Formation of Bicyclo[4.2.0]octan-1-ols","Journal of Organic Chemistry","2004","69","","5690","5698","10.1021/jo049576n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021275","9.237","0.002","25.003","0.006","6.24","0.002","90","","90","","90","","1441.2","0.6","295.2","","295.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 S -","- C14.98 H19 O2 S -","- C59.92 H76 O8 S4 -","4","1","","Wendy A. Loughlin; Catherine C. Rowen; Peter C. Healy","Probing the Formation of Bicyclo[4.2.0]octan-1-ols","Journal of Organic Chemistry","2004","69","","5690","5698","10.1021/jo049576n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021276","8.974","0.002","12.086","0.002","17.068","0.003","68.88","0.05","80.04","0.05","79.18","0.05","1684.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","mesomorphic phenanthroline derivative","","","- C40 H36 N4 O8 -","- C40 H36 N4 O8 -","- C80 H72 N8 O16 -","2","1","","Guillaume Pickaert; Michèle Cesario; Raymond Ziessel","A Convenient Protocol for the Synthesis of Ligands from a 4-Methyl-3,5-diacylaminophenyl Platform","Journal of Organic Chemistry","2004","69","","5335","5341","10.1021/jo049587g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021277","8.809","0.003","12.032","0.005","16.928","0.006","79.47","0.03","86.76","0.03","82.48","0.03","1747.9","1.1","177","2","177","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H37 N5 O8 -","- C42 H37 N5 O8 -","- C84 H74 N10 O16 -","2","1","","Guillaume Pickaert; Michèle Cesario; Raymond Ziessel","A Convenient Protocol for the Synthesis of Ligands from a 4-Methyl-3,5-diacylaminophenyl Platform","Journal of Organic Chemistry","2004","69","","5335","5341","10.1021/jo049587g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021278","11.6887","0.0017","4.4071","0.0007","12.1232","0.0018","90","","110.23","0.002","90","","585.98","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H8 Br I O Se -","- C9 H8 Br I O Se -","- C18 H16 Br2 I2 O2 Se2 -","2","1","","Shengming Ma; Xueshi Hao; Xiaofeng Meng; Xian Huang","Studies on the Regio- and Stereoselectivity of Halohydroxylation of 1,2-Allenyl Sulfides or Selenides","Journal of Organic Chemistry","2004","69","","5720","5724","10.1021/jo049593c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021279","9.788","0.005","11.371","0.005","24.734","0.005","90","0.005","95.939","0.005","90","0.005","2738.1","1.9","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H12 Br2 O3 -","- C13 H18 Br2 O3 -","- C104 H144 Br16 O24 -","8","1","","Khan, Faiz Ahmed; Satapathy, Rashmirekha; Dash, Jyotirmayee; Savitha, G.","A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System","Journal of Organic Chemistry","2004","69","16","5295","5301","10.1021/jo049615v","","","","","","","","","","","","","","","","","","","","","has coordinates","210085","2020-10-21","18:00:00",""
"4021280","8.568","0.005","13.871","0.005","12.203","0.005","90","0.005","91.264","0.005","90","0.005","1449.9","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Br2 O3 -","- C13 H18 Br2 O3 -","- C52 H72 Br8 O12 -","4","1","","Khan, Faiz Ahmed; Satapathy, Rashmirekha; Dash, Jyotirmayee; Savitha, G.","A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System","Journal of Organic Chemistry","2004","69","16","5295","5301","10.1021/jo049615v","","","","","","","","","","","","","","","","","","","","","has coordinates","210085","2020-10-21","18:00:00",""
"4021281","8.4178","0.0015","12.781","0.002","16.416","0.003","84.841","0.003","83.997","0.003","72.819","0.003","1674.9","0.5","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 N2 O2 -","- C42 H38 N2 O2 -","- C84 H76 N4 O4 -","2","1","","A. Franco Bella; Alexandra M. Z. Slawin; John C. Walton","Approach to 3-Aminoindolin-2-ones via Oxime Ether Functionalized Carbamoylcyclohexadienes","Journal of Organic Chemistry","2004","69","","5926","5933","10.1021/jo049617f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021282","11.0767","0.0019","20.018","0.004","19.139","0.003","90","","94.683","0.003","90","","4229.6","1.3","125","0.1","125","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C80 H92 B2 Cl8 F8 O6 P4 Rh2 -","- C80 H92 B2 Cl8 F8 O6 P4 Rh2 -","- C160 H184 B4 Cl16 F16 O12 P8 Rh4 -","2","1","","Mohamed Aghmiz; Ali Aghmiz; Yolanda Díaz; Anna Masdeu-Bultó; Carmen Claver; Sergio Castillón","C~2~-Symmetric Diphosphinite Ligands Derived from Carbohydrates. The Strong Influence of Remote Stereocenters on Asymmetric Rhodium-Catalyzed Hydrogenation","Journal of Organic Chemistry","2004","69","","7502","7510","10.1021/jo0496502","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021283","10.495","0.002","10.495","0.002","42.528","0.012","90","","90","","90","","4684.1","1.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C47 H55 Cl2 N2 O5 P2 Rh -","- C47 H52 Cl2 N2 O5 P2 Rh -","- C188 H208 Cl8 N8 O20 P8 Rh4 -","4","0.5","","Yu Fu; Xun-Xiang Guo; Shou-Fei Zhu; Ai-Guo Hu; Jian-Hua Xie; Qi-Lin Zhou","Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Olefins Using Monodentate Spiro Phosphoramidite Ligands","Journal of Organic Chemistry","2004","69","","4648","4655","10.1021/jo049655z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021284","6.3241","0.0007","6.4956","0.0008","12.4132","0.0015","93.687","0.014","96.857","0.013","95.235","0.014","502.7","0.11","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C16 H22 N6 O8 -","2","1","","P. Rzepecki; H. Gallmeier; N. Geib; Katarina Cernovska; B. König; T. Schrader","New Heterocyclic β-Sheet Ligands with Peptidic Recognition Elements","Journal of Organic Chemistry","2004","69","","5168","5178","10.1021/jo0496603","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021285","10.449","0.007","12.835","0.009","15.053","0.007","90","","106.81","0.05","90","","1932.6","0.2","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B F4 N4 O6 -","- C19 H15 B F4 N4 O6 -","- C76 H60 B4 F16 N16 O24 -","4","1","","Shin-ichi Naya; Takeshi Tokunaka; Makoto Nitta","Novel Synthesis and Oxidizing Ability of Tropylium Ions Annulated with Two 2,4-Dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones","Journal of Organic Chemistry","2004","69","","4732","4740","10.1021/jo049668c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021286","13.6151","0.0005","8","0.0003","18.7774","0.0007","90","","110.548","0.001","90","","1915.1","0.1","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B F4 N4 O6 -","- C19 H15 B F4 N4 O6 -","- C76 H60 B4 F16 N16 O24 -","4","1","","Shin-ichi Naya; Takeshi Tokunaka; Makoto Nitta","Novel Synthesis and Oxidizing Ability of Tropylium Ions Annulated with Two 2,4-Dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones","Journal of Organic Chemistry","2004","69","","4732","4740","10.1021/jo049668c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021287","12.9473","0.0004","7.4923","0.0004","16.76","0.001","90","","102.063","0.003","90","","1589.9","0.1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H17 N O Se -","- C18 H17 N O Se -","- C72 H68 N4 O4 Se4 -","4","1","","Yoshiaki Asanuma; Shin-ichi Fujiwara; Tsutomu Shin-ike; Nobuaki Kambe","Selenoimidoylation of Alcohols with Selenium and Isocyanides and Its Application to the Synthesis of Selenium-Containing Heterocycles","Journal of Organic Chemistry","2004","69","","4845","4848","10.1021/jo0496704","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021288","17.7939","0.0014","20.8707","0.0017","20.5047","0.0016","90","","90.178","0.001","90","","7614.8","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C117 H42 N6 Zn -","- C117 H42 N6 Zn -","- C468 H168 N24 Zn4 -","4","1","","Fatma T. Tat; Zhiguo Zhou; Shaun MacMahon; Fayi Song; Arnold L. Rheingold; Luis Echegoyen; David I. Schuster; Stephen R. Wilson","A New Fullerene Complexation Ligand: N-Pyridylfulleropyrrolidine","Journal of Organic Chemistry","2004","69","","4602","4606","10.1021/jo049671w","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021289","7.908","0.004","5.891","0.003","14.029","0.007","90","","95.691","0.008","90","","650.2","0.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H19 N3 -","- C14 H19 N3 -","- C28 H38 N6 -","2","1","","Mark J. Mulvihill; Cara Cesario; Vanessa Smith; Patricia Beck; Anthony Nigro","Regio- and Stereospecific Syntheses of syn- and anti-1,2-Imidazolylpropylamines from the Reaction of 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols","Journal of Organic Chemistry","2004","69","","5124","5127","10.1021/jo049677l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021290","9.051","0.003","10.214","0.003","14.481","0.004","90","","90","","90","","1338.8","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N3 -","- C14 H19 N3 -","- C56 H76 N12 -","4","1","","Mark J. Mulvihill; Cara Cesario; Vanessa Smith; Patricia Beck; Anthony Nigro","Regio- and Stereospecific Syntheses of syn- and anti-1,2-Imidazolylpropylamines from the Reaction of 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols","Journal of Organic Chemistry","2004","69","","5124","5127","10.1021/jo049677l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021291","8.3392","0.0003","11.6677","0.0004","15.175","0.002","103.712","0.006","99.04","0.01","104.228","0.005","1353.5","0.2","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 N2 -","- C13 H20 N2 -","- C52 H80 N8 -","4","2","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021292","10.673","0.0005","10.9928","0.0007","12.8104","0.0009","90","","90","","90","","1503","0.2","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021293","17.61","0.02","9.93","0.01","8.376","0.009","89","","89","","90","","1463","2","296.1","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021294","11.7618","0.0007","13.185","0.0008","13.7331","0.0008","92.734","0.003","112.61","0.002","114.056","0.003","1741.7","0.2","296.1","","","","","","","","","","","3","C 1","C 1","1","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"4021295","16.7104","0.0003","6.4424","0.0001","17.8094","0.0004","90","","110.457","0.002","90","","1796.36","0.06","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C80 H104 N8 -","4","2","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021296","35.436","0.003","6.3489","0.0005","15.747","0.001","90","","97.655","0.003","90","","3511.3","0.5","296.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N2 -","- C19 H24 N2 -","- C152 H192 N16 -","8","1","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","178390","2020-10-21","18:00:00",""
"4021297","11.1094","0.0016","14.2","0.002","11.8055","0.0016","90","","110.927","0.003","90","","1739.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O3 S2 -","- C17.016 H18 N2 O3 S2.004 -","- C68.064 H72 N8 O12 S8.016 -","4","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021298","12.7667","0.0011","13.2331","0.001","14.2089","0.0011","90","","90","","90","","2400.5","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O6 S2 -","- C22.016 H28 N2 O6 S2.004 -","- C88.064 H112 N8 O24 S8.016 -","4","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021299","10.7577","0.0012","7.8092","0.0009","12.4883","0.0015","90","","104.674","0.003","90","","1014.9","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O4 S2 -","- C18.984 H24 N2 O4 S2 -","- C37.968 H48 N4 O8 S4 -","2","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178390","2020-10-21","18:00:00",""
"4021300","9.444","0.004","8.678","0.003","15.389","0.006","90","","102.142","0.009","90","","1233","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O6 S2 -","- C22 H28 N2 O6 S2 -","- C44 H56 N4 O12 S4 -","2","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021301","11.1366","0.0012","6.9872","0.0007","15.3869","0.0016","90","","93.796","0.002","90","","1194.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021302","10.78","0.003","14.555","0.004","8.028","0.002","90","","102.417","0.005","90","","1230.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021303","6.6162","0.0006","8.2161","0.0008","21.597","0.002","90","","91.489","0.002","90","","1173.59","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021304","12.3047","0.0018","6.3689","0.0009","13.238","0.002","90","","96.223","0.002","90","","1031.3","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021305","10.803","0.002","11.09","0.002","11.723","0.001","76.48","0.02","79.63","0.01","62.65","0.02","1208.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","0.0702","","","0.1436","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021306","13.6695","0.0008","14.6107","0.0009","22.7212","0.0014","90","","90","","90","","4537.9","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O -","- C15 H13 N O -","- C240 H208 N16 O16 -","16","4","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021307","5.4105","0.0006","9.3372","0.0011","10.7931","0.0013","76.442","0.002","87.201","0.002","82.199","0.002","525.07","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C28 H22 N2 O4 -","2","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021308","18.122","0.003","7.398","0.001","20.076","0.002","90","","111.76","0.01","90","","2499.7","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","0.0621","","","0.1312","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021309","7.446","0.001","9.579","0.002","10.546","0.001","113.44","0.01","105.85","0.02","99.42","0.02","631.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C32 H32 N4 O2 -","2","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","0.0451","","","0.1082","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021310","7.9287","0.0007","7.693","0.0007","19.2741","0.0018","90","","96.005","0.002","90","","1169.18","0.18","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021311","12.228","0.001","13.924","0.001","14.838","0.002","90","","90","","90","","2526.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","0.0555","","","0.103","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021312","8.73","0.002","8.983","0.003","9.277","0.003","91.259","0.005","113.66","0.004","99.146","0.005","655","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C32 H30 N6 O4 -","2","1","","Gury Zvilichovsky; Isra Gbara-Haj-Yahia","Stereoselectivity and Regioselectivity in Nucleophilic Ring Opening in Derivatives of 3-Phenylisoxazolo[2,3-a]pyrimidine. Unpredicted Dimerization and Ring Transformation. Syntheses of Derivatives of Pyrimidinylmethylamine, Pyrimidinylmethylamino Acid Amides, and α-Amino-2-pyrimidinylacetamides","Journal of Organic Chemistry","2004","69","","4966","4973","10.1021/jo0497196","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021313","10.728","0.002","7.7333","0.0015","16.453","0.003","90","","95.938","0.003","90","","1357.7","0.5","200","1","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Gury Zvilichovsky; Isra Gbara-Haj-Yahia","Stereoselectivity and Regioselectivity in Nucleophilic Ring Opening in Derivatives of 3-Phenylisoxazolo[2,3-a]pyrimidine. Unpredicted Dimerization and Ring Transformation. Syntheses of Derivatives of Pyrimidinylmethylamine, Pyrimidinylmethylamino Acid Amides, and α-Amino-2-pyrimidinylacetamides","Journal of Organic Chemistry","2004","69","","4966","4973","10.1021/jo0497196","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021314","19.9163","0.0008","6.0539","0.0003","40.34","0.002","90","","93.48","0.002","90","","4854.9","0.4","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C224 H256 O32 -","8","1","","Mark Lautens; Tzvetelina Marquardt","Rhodium-Catalyzed Tandem Cyclization: Formation of 1H-Indenes and 1-Alkylideneindans from Arylboronate Esters in Aqueous Media","Journal of Organic Chemistry","2004","69","","4607","4614","10.1021/jo049722p","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021315","14.368","0.002","18.072","0.002","12.858","0.002","90","","105.244","0.009","90","","3221.3","0.7","298.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C42 H40 -","- C42 H35 -","- C168 H140 -","4","1","","Xin Zhou; Zhiping Li; Hui Wang; Masanori Kitamura; Ken-ichiro Kanno; Kiyohiko Nakajima; Tamotsu Takahashi","Novel Synthetic Route to Octasubstituted Naphthalenes from Four Alkynes and One Olefin Unit via Zirconacyclopentadienes and 1,2-Diiodo-3,4,5,6-tetraalkylbenzene","Journal of Organic Chemistry","2004","69","","4559","4562","10.1021/jo0497297","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021316","11.0495","0.001","17.7082","0.0016","34.093","0.003","90","","94.478","0.002","90","","6650.6","1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 F6 N3 O5 -","- C37 H27 F6 N3 O5 -","- C296 H216 F48 N24 O40 -","8","2","","Jeyaraman Sankar; Harapriya Rath; Viswanathan PrabhuRaja; Tavarekere K. Chandrashekar; Jagadese J. Vittal","Syntheses of Core-Modified Corroles by Three Different [3 + 1] Methodologies","Journal of Organic Chemistry","2004","69","","5135","5138","10.1021/jo0497398","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021317","14.164","0.001","14.876","0.002","11.034","0.002","94.555","0.002","98.24","0.007","86.228","0.006","2290.1","0.5","130","","","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H70 P2 -","- C52 H70 P2 -","- C104 H140 P4 -","2","1","","Shigekazu Ito; Satoshi Sekiguchi; Masaaki Yoshifuji","Formation and Electrochemical Properties of a 1,4-Diphosphafulvene Including Formal Dimerization of Phosphaallene","Journal of Organic Chemistry","2004","69","","4181","4184","10.1021/jo0497407","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021318","9.981","0.002","14.312","0.001","9.137","0.002","95.576","0.008","107.335","0.003","97.55","0.01","1222.4","0.3","120","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H37 O P -","- C27 H41.7 O P -","- C54 H83.4 O2 P2 -","2","1","","Shigekazu Ito; Satoshi Sekiguchi; Masaaki Yoshifuji","Formation and Electrochemical Properties of a 1,4-Diphosphafulvene Including Formal Dimerization of Phosphaallene","Journal of Organic Chemistry","2004","69","","4181","4184","10.1021/jo0497407","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021319","10.9559","0.0001","11.1704","0.0001","11.6369","0.0001","90","","106.512","0.0005","90","","1365.41","0.02","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H47 N O2 Si -","- C28 H47 N O2 Si -","- C56 H94 N2 O4 Si2 -","2","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Raquel Pazos; José M. Odriozola; Patricia Bañuelos; Mónica Tello; Anthony Linden","A Practical Total Synthesis of Hapalosin, a 12-Membered Cyclic Depsipeptide with Multidrug Resistance-Reversing Activity, by Employing Improved Segment Coupling and Macrolactonization","Journal of Organic Chemistry","2004","69","","4126","4134","10.1021/jo0497499","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021320","10.8587","0.0006","7.3037","0.0005","15.806","0.0012","90","","94.087","0.002","90","","1250.36","0.15","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H45 N O3 Si -","- C23 H45 N O3 Si -","- C46 H90 N2 O6 Si2 -","2","1","","Claudio Palomo; Mikel Oiarbide; Jesús M. García; Alberto González; Raquel Pazos; José M. Odriozola; Patricia Bañuelos; Mónica Tello; Anthony Linden","A Practical Total Synthesis of Hapalosin, a 12-Membered Cyclic Depsipeptide with Multidrug Resistance-Reversing Activity, by Employing Improved Segment Coupling and Macrolactonization","Journal of Organic Chemistry","2004","69","","4126","4134","10.1021/jo0497499","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021321","7.248","0.001","9.71","0.002","16.204","0.003","84.03","0.02","79.12","0.02","81.2","0.01","1103.4","0.3","288","2","288","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 Cl2 N O5 -","- C26 H15 Cl2 N O5 -","- C52 H30 Cl4 N2 O10 -","2","1","","Chong-Dao Lu; Zhi-Yong Chen; Hui Liu; Wen-Hao Hu; Ai-Qiao Mi; Michael P. Doyle","A Facile Three-Component One-Pot Synthesis of Structurally Constrained Tetrahydrofurans That Are t-RNA Synthetase Inhibitor Analogues","Journal of Organic Chemistry","2004","69","","4856","4859","10.1021/jo0497508","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021322","14.98","0.002","12.115","0.002","24.997","0.004","90","","90","","90","","4536.5","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Cl2 N O4 -","- C26 H17 Cl2 N O4 -","- C208 H136 Cl16 N8 O32 -","8","1","","Chong-Dao Lu; Zhi-Yong Chen; Hui Liu; Wen-Hao Hu; Ai-Qiao Mi; Michael P. Doyle","A Facile Three-Component One-Pot Synthesis of Structurally Constrained Tetrahydrofurans That Are t-RNA Synthetase Inhibitor Analogues","Journal of Organic Chemistry","2004","69","","4856","4859","10.1021/jo0497508","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021323","10.462","0.002","7.794","0.002","25.62","0.008","90","","94.87","0.02","90","","2081.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N O5 -","- C26 H17 N O5 -","- C104 H68 N4 O20 -","4","1","","Chong-Dao Lu; Zhi-Yong Chen; Hui Liu; Wen-Hao Hu; Ai-Qiao Mi; Michael P. Doyle","A Facile Three-Component One-Pot Synthesis of Structurally Constrained Tetrahydrofurans That Are t-RNA Synthetase Inhibitor Analogues","Journal of Organic Chemistry","2004","69","","4856","4859","10.1021/jo0497508","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021324","10.9195","0.0014","14.258","0.0018","19.034","0.002","90","","90","","90","","2963.4","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H45 B O4 -","- C32 H45 B O4 -","- C128 H180 B4 O16 -","4","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021325","12.3717","0.0011","7.772","0.0007","32.821","0.003","90","","90","","90","","3155.8","0.5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C136 H192 O24 -","8","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021326","13.6632","0.0013","9.8807","0.0009","22.901","0.002","90","","98.491","0.002","90","","3057.8","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C144 H120 N8 O32 -","8","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021327","10.0541","0.0008","11.0212","0.0009","11.2992","0.0009","90","","90","","90","","1252.04","0.17","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O2 -","- C13 H13 Br O2 -","- C52 H52 Br4 O8 -","4","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021328","17.421","0.003","14.72","0.002","20.772","0.004","90","","107.49","0.01","90","","5080.5","1.5","203","2","203","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H26 Cl2 N4 O10 -","- C22 H26 Cl2 N4 O10 -","- C176 H208 Cl16 N32 O80 -","8","2","","Bula Dutta; Pradip Bag; Bibhutosh Adhikary; Ulrich Flörke; Kamalaksha Nag","Efficient Proton-Templated Synthesis of 18- to 38-Membered Tetraimino(amino)diphenol Macrocyclic Ligands: Structural Features and Spectroscopic Properties","Journal of Organic Chemistry","2004","69","","5419","5427","10.1021/jo049787s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021329","7.655","0.005","8.912","0.004","11.204","0.012","94.63","0.09","100.47","0.09","106.95","0.04","711.7","0.9","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Cl2 N4 O10 -","- C26 H34 Cl2 N4 O10 -","- C26 H34 Cl2 N4 O10 -","1","0.5","","Bula Dutta; Pradip Bag; Bibhutosh Adhikary; Ulrich Flörke; Kamalaksha Nag","Efficient Proton-Templated Synthesis of 18- to 38-Membered Tetraimino(amino)diphenol Macrocyclic Ligands: Structural Features and Spectroscopic Properties","Journal of Organic Chemistry","2004","69","","5419","5427","10.1021/jo049787s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021330","7.0838","0.0004","14.5357","0.0007","16.0758","0.0009","71.249","0.005","78.019","0.005","84.231","0.005","1532.27","0.14","208","2","208","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","2","","Guuske F. Busscher; Stan Groothuys; René de Gelder; Floris P. J. T. Rutjes; Floris L. van Delft","Efficient Preparation of a 1,3-Diazidocyclitol as a Versatile 2-Deoxystreptamine Precursor","Journal of Organic Chemistry","2004","69","","4477","4481","10.1021/jo049788k","","","","","","","0.0608","","","0.0967","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021331","41.943","0.003","7.1885","0.0006","10.2993","0.0008","90","","97.023","0.007","90","","3082","0.4","208","2","208","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C144 H136 N8 O40 -","8","1","","Guuske F. Busscher; Stan Groothuys; René de Gelder; Floris P. J. T. Rutjes; Floris L. van Delft","Efficient Preparation of a 1,3-Diazidocyclitol as a Versatile 2-Deoxystreptamine Precursor","Journal of Organic Chemistry","2004","69","","4477","4481","10.1021/jo049788k","","","","","","","0.0685","","","0.152","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021332","11.7487","0.0007","8.6317","0.0007","17.418","0.0012","90","","92.494","0.006","90","","1764.7","0.2","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 N6 O3 Si -","- C12 H24 N6 O3 Si -","- C48 H96 N24 O12 Si4 -","4","1","","Guuske F. Busscher; Stan Groothuys; René de Gelder; Floris P. J. T. Rutjes; Floris L. van Delft","Efficient Preparation of a 1,3-Diazidocyclitol as a Versatile 2-Deoxystreptamine Precursor","Journal of Organic Chemistry","2004","69","","4477","4481","10.1021/jo049788k","","","","","","","0.083","","","0.174","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021333","10.4392","0.0009","11.2346","0.0009","12.0911","0.001","90","","97.172","0.001","90","","1407","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans-(E)-6b","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021334","20.5548","0.0018","15.0763","0.0013","10.1838","0.0009","90","","111.138","0.001","90","","2943.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","syn-(E)-7d","","","- C16 H14 Cl N3 O -","- C16 H14 Cl N3 O -","- C128 H112 Cl8 N24 O8 -","8","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021335","15.7929","0.0014","5.69","0.0005","17.5931","0.0016","90","","110.61","0.001","90","","1479.8","0.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","syn-(Z)-7d","","","- C16 H14 Cl N3 O -","- C16 H14 Cl N3 O -","- C64 H56 Cl4 N12 O4 -","4","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021336","4.8338","0.0009","11.587","0.002","25.819","0.005","90","","90","","90","","1446.1","0.5","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N3 O -","- C16 H14 Cl N3 O -","- C64 H56 Cl4 N12 O4 -","4","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021337","7.6278","0.0007","9.6929","0.0009","13.3975","0.0012","76.206","0.001","76.886","0.001","72.791","0.001","905.77","0.14","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C46 H38 N6 O2 -","2","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021338","14.113","0.004","9.571","0.003","17.403","0.005","90","","106.192","0.006","90","","2257.4","1.2","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","11","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C108 H108 N12 O8 -","4","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021339","20.073","0.003","7.843","0.001","7.27","0.001","90","","90","","90","","1144.6","0.3","123.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H16 B10 -","- C5 H16 B10 -","- C20 H64 B40 -","4","1","","Motonori Tsuji","Most Stable Conformation of the Cyclopropane Ring Attached at a Carbon Atom in a 1,2-Dicarba-closo-dodecaborane(12) System","Journal of Organic Chemistry","2004","69","","4063","4074","10.1021/jo049854i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021340","8.081","0.001","8.226","0.001","14.511","0.002","106.021","0.002","90.749","0.002","114.761","0.002","832.7","0.2","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H22 B10 O -","- C12 H22 B10 O -","- C24 H44 B20 O2 -","2","1","","Motonori Tsuji","Most Stable Conformation of the Cyclopropane Ring Attached at a Carbon Atom in a 1,2-Dicarba-closo-dodecaborane(12) System","Journal of Organic Chemistry","2004","69","","4063","4074","10.1021/jo049854i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4027807","14.935","","4.589","","8.254","","90","","90","","90","","565.702","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Ag Se3 I","","- Ag I Se3 -","- Ag I Se3 -","- Ag4 I4 Se12 -","4","0.5","","Deiseroth, H.J.; Neumann, E.; Wagener, M.","(Ag I)2 Te6 and (Ag I)2 Se6: New composite materials with cyclic Te6 and Se6 molecules stabilized in the ""solid solvent"" Ag I","European Journal of Inorganic Chemistry","2004","2004","","4755","4758","10.1002/ejic.200400550","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027808","16.23","","4.696","","8.805","","90","","90","","90","","671.083","","","","","","","","","","","","","3","P m n a","-P 2ac 2","53","","Ag Te3 I","","- Ag I Te3 -","- Ag I Te3 -","- Ag4 I4 Te12 -","4","0.5","","Wagener, M.; Neumann, E.; Deiseroth, H.J.","(Ag I)2 Te6 and (Ag I)2 Se6: New composite materials with cyclic Te6 and Se6 molecules stabilized in the ""solid solvent"" Ag I","European Journal of Inorganic Chemistry","2004","2004","","4755","4758","10.1002/ejic.200400550","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027817","14.69","","9.1851","","20.285","","90","","93.17","","90","","2732.85","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(Hg6 As4) (Ag Cl3)2","","- Ag2 As4 Cl6 Hg6 -","- Ag2 As4 Cl6 Hg6 -","- Ag12 As24 Cl36 Hg36 -","6","0.75","","Olenev, A.V.; Shevelkov, A.V.; Dikarev, E.V.; Oleneva, O.S.","From Discrete to Extended Guests: Novel Supramolecular Assembly [Hg6As4](AgCl3)2 Featuring (AgCl32- Helical Anions.","European Journal of Inorganic Chemistry","2004","2004","","4006","4010","10.1002/ejic.200400205","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029807","14.229","0.0007","18.035","0.0007","25.137","0.0009","72.471","0.0015","88.187","0.0012","80.469","0.0013","6065.1","0.4","293","","293","","","","","","","","?","3","P -1","-P 1","2","","","","- C153.5 H106 Cl8.18 -","- C153.5 H106 Cl8.1776 -","- C307 H212 Cl16.3552 -","2","1","","Wu, Jishan; Tomović, Željko; Enkelmann, Volker; Müllen, Klaus","From Branched Hydrocarbon Propellers toC3-Symmetric Graphite Disks.","The Journal of Organic Chemistry","2004","69","23","8176","","10.1021/jo040012t","","","0.71073","MoKα","","","0.0421","","","","0.0431","","","","","","0.6753","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4031565","23.118","","15.2478","","24.967","","90","","100.247","","90","","8660.46","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","P2 W15 (Ti O2)3 O56 (O H)3 Na9 O16","","- H3 Na9 O81 P2 Ti3 W15 -","- Na9 O81 P2 Ti3 W15 -","- Na36 O324 P8 Ti12 W60 -","4","1","","Sakai, Y.; Yoza, K.; Kitakoga, Y.; Hayashi, K.; Nomiya, K.","Isolation","European Journal of Inorganic Chemistry","2004","2004","","4646","4652","","","","","","","","","","","","","","","","","","","","","","has coordinates","161271","2020-10-21","18:00:00",""
"4031582","11.2358","","7.4822","","6.1572","","90","","115.061","","90","","468.896","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Mn2 (O H)2 (S O4)","","- H2 Mn2 O6 S -","- H2 Mn2 O6 S -","- H8 Mn8 O24 S4 -","4","0.5","","Ben Salah, M.; Vilminot, S.; Mhiri, T.; Mohamedally, K.","Synthesis, Crystal Structure, and Magnetic Properties of Mn2(OH)2SO4: A Novel Layered Hydroxide","European Journal of Inorganic Chemistry","2004","2004","","2272","2276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031592","13.7261","","19.6025","","20.6635","","111.341","","105.38","","97.683","","4826.32","","","","","","","","","","","","","6","P -1","-P 1","2","","K13 (Pr (Si W11 O39)2) (H2 O)14","","- H28 K13 O92 Pr Si2 W22 -","- K13 O92 Pr Si2 W22 -","- K26 O184 Pr2 Si4 W44 -","2","1","","Mialane, P.; Dolbecq, A.; Riviere, E.; Marrot, J.; Secheresse, F.","Functionalization of polyoxometalates by a negatively charged bridging ligand: the dimeric [(Si W11 O39 Ln)2 (mue-C H3 C O O)2](12-) (Ln = Gd(III), Yb(III)) complexes","European Journal of Inorganic Chemistry","2004","33","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031601","17.121","","19.914","","24.328","","84.96","","87.65","","65.25","","7503.45","","","","","","","","","","","","","5","P -1","-P 1","2","","Ce4 (Mo O4) (H2 O)16 (Mo7 O24)4 O54.5 N3.33","","- Ce4 H32 Mo29 N3.33 O170.5 -","- Ce4 Mo29 O170.5 -","- Ce8 Mo58 O341 -","2","1","","Burgemeister, K.; Limanski, E.M.; Drewes, D.; Kueper, I.; Krebs, B.","Formation of Large Clusters through Reaction of Lanthanide Cations with Heptamolybdate","European Journal of Inorganic Chemistry","2004","2004","","2690","2694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031602","35.487","","35.487","","35.487","","90","","90","","90","","44689.7","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","(Gd4 (Mo O4) (H2 O)16 (Mo7 O24)4) C13.33 N3.33 O26.65","","- Gd4 Mo9 -","- Gd4 Mo9 -","- Gd48 Mo108 -","12","0.25","","Burgemeister, K.; Drewes, D.; Limanski, E.M.; Kueper, I.; Krebs, B.","Formation of Large Clusters in the Reaction of Lanthanide Cations with Heptamolybdate","European Journal of Inorganic Chemistry","2004","2004","","2690","2694","","","","","","","","","","","","","","","","","","","","","","has coordinates","163119","2020-10-21","18:00:00",""
"4031603","35.8","","35.8","","35.8","","90","","90","","90","","45882.7","","","","","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","(La4 (Mo O4) (H2 O)16 (Mo7 O24)4) N1.33 O24.65 C5.33","","- C5.33 H32 La4 Mo29 N1.33 O140.65 -","- C5.33333 La4 Mo29 N1.33333 O140.653 -","- C64 La48 Mo348 N16 O1687.84 -","12","0.25","","Burgemeister, K.; Kueper, I.; Drewes, D.; Limanski, E.M.; Krebs, B.","Formation of Large Clusters in the Reaction of Lanthanide Cations with Heptamolybdate","European Journal of Inorganic Chemistry","2004","2004","","2690","2694","","","","","","","","","","","","","","","","","","","","","","has coordinates","163123","2020-10-21","18:00:00",""
"4031604","19.781","","43.872","","20.454","","90","","117.28","","90","","15776.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Pr4 (Mo O4) (H2 O)16 (Mo7 O24)4 O51","","- H32 Mo29 O167 Pr4 -","- Mo28.5 O167 Pr4 -","- Mo114 O668 Pr16 -","4","0.5","","Burgemeister, K.; Kueper, I.; Limanski, E.M.; Drewes, D.; Krebs, B.","Formation of Large Clusters through Reaction of Lanthanide Cations with Heptamolybdate","European Journal of Inorganic Chemistry","2004","2004","","2690","2694","","","","","","","","","","","","","","","","","","","","","","has coordinates","163127","2020-10-21","18:00:00",""
"4031605","35.533","","35.533","","35.533","","90","","90","","90","","44863.8","","","","","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","(N H4)10.7 (N (C H3)4)3.33 (Sm4 (Mo O4) (H2 O)16 (Mo7 O24)4) (H2 O)22","","- C13.32 H158.76 Mo29 N14.03 O138 Sm4 -","- C13.3333 Mo29 N14.0307 O137.36 Sm4 -","- C160 Mo348 N168.368 O1648.32 Sm48 -","12","0.25","","Burgemeister, K.; Limanski, E.M.; Drewes, D.; Kueper, I.; Krebs, B.","Formation of large clusters in the reaction of lanthanide cations with heptamolybdate","European Journal of Inorganic Chemistry","2004","2004","","2690","2694","","","","","","","","","","","","","","","","","","","","","","has coordinates","163130","2020-10-21","18:00:00",""
"4031608","23.321","","11.384","","9.847","","90","","90.09","","90","","2614.24","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ba11 Ti28 O66.5","","- Ba11 O66.5 Ti28 -","- Ba11 O66.48 Ti28 -","- Ba22 O132.96 Ti56 -","2","0.25","","Vanderah, T.A.; Ramirez, A.P.; Siegrist, T.; Roth, R.S.; Geyer, R.G.","Crystal Structure and Properties of Ba11 Fe Ti27 O66.5","European Journal of Inorganic Chemistry","2004","2004","","2434","2441","","","","","","","","","","","","","","","","","","","","","","has coordinates","163453","2020-10-21","18:00:00",""
"4031616","6.8427","","3.6134","","8.3222","","90","","90","","90","","205.77","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf0.84 Ti1.16 As","","- As Hf0.84 Ti1.16 -","- As Hf0.842 Ti1.16 -","- As4 Hf3.368 Ti4.64 -","4","0.5","","Derakhshan, S.; Dashjav, E.; Kleinke, H.","The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)","European Journal of Inorganic Chemistry","2004","2004","","1183","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031617","6.741","","3.5888","","8.0733","","90","","90","","90","","195.31","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf0.97 V1.03 As","","- As Hf0.97 V1.03 -","- As Hf0.971 V1.032 -","- As4 Hf3.884 V4.128 -","4","0.5","","Derakhshan, S.; Dashjav, E.; Kleinke, H.","The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)","European Journal of Inorganic Chemistry","2004","2004","","1183","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031618","6.6973","","3.5706","","8.0208","","90","","90","","90","","191.804","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf0.92 V1.08 As","","- As Hf0.92 V1.08 -","- As Hf0.916 V1.08 -","- As4 Hf3.664 V4.32 -","4","0.5","","Derakhshan, S.; Dashjav, E.; Kleinke, H.","The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)","European Journal of Inorganic Chemistry","2004","2004","","1183","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031619","6.8051","","3.6041","","8.293","","90","","90","","90","","203.396","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf0.61 Ti1.39 As","","- As Hf0.61 Ti1.39 -","- As Hf0.602 Ti1.4 -","- As4 Hf2.408 Ti5.6 -","4","0.5","","Derakhshan, S.; Dashjav, E.; Kleinke, H.","The predicted Structures of the New Pnictides HfMQ in Contrast to Zr M Q (M = Ti, V; Q = P, As)","European Journal of Inorganic Chemistry","2004","2004","","1183","1189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031621","9.396","","10.188","","10.694","","101.64","","108.09","","106.5","","884.551","","","","","","","","","","","","","5","P -1","-P 1","2","","(La (H2 O)6)2 (Te Mo6 O24) (H2 O)6","","- H36 La2 Mo6 O42 Te -","- La2 Mo6 O42 Te -","- La2 Mo6 O42 Te -","1","0.5","","Drewes, D.; Limanski, E.M.; Krebs, B.","The Anderson Type Anion (TeMo6O24)6- - a Multientate Ligand for Trivalent Rare Earth Cations","European Journal of Inorganic Chemistry","2004","2004","","4849","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031622","9.626","","10.285","","11.632","","97.72","","101.27","","114.33","","998.911","","","","","","","","","","","","","5","P -1","-P 1","2","","(Ce (H2 O)7)2 (Te Mo6 O24) (H2 O)7","","- Ce2 H42 Mo6 O45 Te -","- Ce2 Mo6 O45 Te -","- Ce2 Mo6 O45 Te -","1","0.5","","Drewes, D.; Limanski, E.M.; Krebs, B.","The Anderson Type Anion (TeMo6O24)6- - a Multientate Ligand for Trivalent Rare Earth Cations","European Journal of Inorganic Chemistry","2004","2004","","4849","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031623","9.569","","10.23","","11.572","","98.01","","101.29","","114.13","","982.874","","","","","","","","","","","","","5","P -1","-P 1","2","","(Pr (H2 O)7)2 (Te Mo6 O24) (H2 O)8","","- H44 Mo6 O46 Pr2 Te -","- Mo6 O46 Pr2 Te -","- Mo6 O46 Pr2 Te -","1","0.5","","Drewes, D.; Krebs, B.; Limanski, E.M.","The Anderson Type Anion (TeMo6O24)6- - a Multientate Ligand for Trivalent Rare Earth Cations","European Journal of Inorganic Chemistry","2004","2004","","4849","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031624","9.569","","10.236","","11.563","","98.3","","101.21","","114.17","","981.324","","","","","","","","","","","","","5","P -1","-P 1","2","","(Nd (H2 O)7)2 (Te Mo6 O24) (H2 O)8","","- H44 Mo6 Nd2 O46 Te -","- Mo6 Nd2 O46 Te -","- Mo6 Nd2 O46 Te -","1","0.5","","Drewes, D.; Limanski, E.M.; Krebs, B.","The Anderson Type Anion (TeMo6O24)6- - a Multientate Ligand for Trivalent Rare Earth Cations","European Journal of Inorganic Chemistry","2004","2004","","4849","4853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4060193","16.046","0.004","7.434","0.002","20.025","0.005","90","","100.42","0.02","90","","2349.3","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N6 O2 -","- C30 H22 N6 O2 -","- C120 H88 N24 O8 -","4","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.1277","0.1005","","0.1709","0.1627","","","","1.333","1.408","1.408","","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060194","17.985","0.002","26.557","0.004","12.191","0.001","90","","90","","90","","5823","1","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H20 N6 Ni O2 -","- C30 H20 N6 Ni O2 -","- C240 H160 N48 Ni8 O16 -","8","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0858","0.0632","","0.1935","0.1828","","","","1.073","1.218","1.218","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060195","8.082","0.001","11.956","0.001","13.813","0.001","84.49","0.01","89.44","0.01","72.38","0.01","1266","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N6 Ni O4 -","- C32 H24 N6 Ni O4 -","- C64 H48 N12 Ni2 O8 -","2","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0369","0.0302","","0.0792","0.076","","","","1.038","1.07","1.07","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060196","14.017","0.001","15.085","0.001","21.778","0.002","99.55","0.01","108.7","0.01","93.39","0.01","4270.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H78 Cl6 N12 Ni2 O9 -","- C96 H74 Cl6 N12 Ni2 O9 -","- C192 H148 Cl12 N24 Ni4 O18 -","2","1","","Tomasz Fekner; Judith Gallucci; Michael K. Chan","Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands","Journal of the American Chemical Society","2004","126","","223","236","10.1021/ja030196d","","","0.71073","MoKα","","0.0862","0.0634","","0.2042","0.1919","","","","1.099","1.204","1.204","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060197","16.3884","0.001","19.5173","0.001","19.9185","0.001","90","","90","","90","","6371.1","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)ytterbium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 O14 Yb -","- C23 H25 Co4 O14 Yb -","- C184 H200 Co32 O112 Yb8 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0779","0.0417","","","0.1015","0.1205","","","","","","1.058","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060198","16.3813","0.001","19.7197","0.001","20.0949","0.001","90","","90","","90","","6491.3","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)europium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 Eu O14 -","- C23 H30 Co4 Eu O14 -","- C184 H240 Co32 Eu8 O112 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0489","0.0349","","","0.0789","0.0847","","","","","","1.015","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060199","11.1607","0.001","16.3616","0.001","17.4351","0.001","90","","97.108","0.01","90","","3159.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(diethylether)(tetrahydrofuran)ytterbium undecacarbon","","","- C23 H28 Co4 O14 Yb -","- C23 H10 Co4 O14 Yb -","- C92 H40 Co16 O56 Yb4 -","4","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.1001","0.0518","","","0.1139","0.1376","","","","","","1.022","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060200","12.4723","0.001","17.2458","0.001","18.0452","0.001","90","","90","","90","","3881.4","0.4","200","2","200","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Pentakis(tetrahydrofuran)europium undecacarbonyl(tetracobalt)","","","- C31 H40 Co4 Eu O16 -","- C31 H36 Co4 Eu O16 -","- C124 H144 Co16 Eu4 O64 -","4","0.5","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0444","0.033","","","0.0679","0.0712","","","","","","1.035","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060201","37.16","0.02","6.127","0.002","24.091","0.009","90","","111.392","0.007","90","","5106.8","3.2","113.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H29 N4 O2 -","- C31 H29 N4 O2 -","- C248 H232 N32 O16 -","8","1","","Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation","Journal of the American Chemical Society","2004","126","","58","59","10.1021/ja0367748","","","0.7107","MoKα","","","0.07","","","","0.088","","","","","","1.142","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060202","10.2817","0.001","11.2323","0.0011","15.539","0.002","80.704","0.01","77.666","0.01","64.483","0.007","1577.2","0.3","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cl3 N4 O6 -","- C32 H31 Cl3 N4 O6 -","- C64 H62 Cl6 N8 O12 -","2","1","","Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada","A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation","Journal of the American Chemical Society","2004","126","","58","59","10.1021/ja0367748","","","0.7107","MoKα","","","0.045","","","","0.065","","","","","","0.989","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060203","5.477","0.005","11.963","0.005","19.287","0.005","95.137","0.005","93.217","0.005","96.157","0.005","1248.6","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-(4'-octyloxystyryl)pyridinato pentafluoroiodobenzene","","- C27 H27 F5 I N O -","- C27 H27 F5 I N O -","- C54 H54 F10 I2 N2 O2 -","2","1","","H. Loc Nguyen; Peter N. Horton; Michael B. Hursthouse; Anthony C. Legon; Duncan W. Bruce","Halogen Bonding: A New Interaction for Liquid Crystal Formation","Journal of the American Chemical Society","2004","126","","16","17","10.1021/ja036994l","","","0.71073","MoKα","","0.0565","0.0373","","","0.0731","0.0785","","","","","","1.04","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060204","5.2258","0.0005","8.7007","0.0009","22.97","0.002","90","","90","","90","","1044.42","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ala-gly-gly HCl","alanyl-glycyl-glycine hydrochloride","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.053","0.048","","","0.106","0.109","","","","","","1.05","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060205","6.989","0.0008","8.2684","0.001","21.834","0.003","90","","90","","90","","1261.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gly-gly-val HCl","glycyl-glycyl-valine hydrochloride","","- C9 H18 Cl N3 O4 -","- C9 H18 Cl N3 O4 -","- C36 H72 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.027","0.024","","","0.054","0.055","","","","","","1.01","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060206","13.6343","0.0014","14.1508","0.0014","23.889","0.002","86.844","0.002","82.792","0.002","71.115","0.002","4325.9","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H44 N6 O19 S4 -","- C25 H20 N6 O15 -","- C100 H80 N24 O60 -","4","2","","Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton","Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals","Journal of the American Chemical Society","2004","126","","2","3","10.1021/ja037614z","","","0.71073","MoKα","","0.1871","0.1289","","","0.3155","0.333","","","","","","1.479","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060207","7.7607","0.0004","10.097","0.001","13.895","0.001","89","2","84.063","0.003","70.988","0.003","1023.6","0.2","93.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.056","","","","0.097","","","","","","0.44","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060208","7.8164","0.0007","10.3585","0.0003","14.02","0.001","88","2","83.944","0.003","69.911","0.003","1060","0.1","473.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.073","","","","0.072","","","","","","0.674","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060209","7.8153","0.0005","10.186","0.0003","14.02","0.0007","89","2","84.021","0.003","70.743","0.003","1047.51","0.09","100.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.052","","","","0.042","","","","","","0.429","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060210","7.851","0.001","10.454","0.002","14.074","0.003","88","2","83.455","0.008","69.668","0.007","1075.8","0.4","373.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N8 -","- C24 H19 N8 -","- C48 H38 N16 -","2","1","","Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura","Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3","Journal of the American Chemical Society","2004","126","","291","294","10.1021/ja0377697","","","0.7107","MoKα","","","0.069","","","","0.088","","","","","","0.902","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060211","9.1306","0.0005","13.241","0.0007","24.7714","0.0014","90","","94.356","0.001","90","","2986.2","0.3","446","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Cl2 P2 Zr -","- C28 H44 Cl2 P2 Zr -","- C112 H176 Cl8 P8 Zr4 -","4","1","","Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud","Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization","Journal of the American Chemical Society","2004","126","","42","43","10.1021/ja0381611","","","0.71073","MoKα","","0.0734","0.0337","","","0.0615","0.0664","","","","","","0.808","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060212","12.3585","0.0001","12.4741","0.0002","16.6548","0.0003","95.175","0.001","95.375","0.001","113.504","0.001","2321.16","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C60.5 H56 Si Zr -","- C60.5 H55.5 Si Zr -","- C121 H111 Si2 Zr2 -","2","1","","Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud","Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization","Journal of the American Chemical Society","2004","126","","42","43","10.1021/ja0381611","","","0.71073","MoKα","","0.0386","0.0317","","","0.082","0.084","","","","","","1.029","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060213","26.7687","0.0011","8.7564","0.0003","8.0887","0.0004","90","","91.063","0.002","90","","1895.64","0.14","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cp2Zr(mu:hapto-2:hapto2-1,2,3-butatriene)Zr(PMe3)Cp2 6","","- C22 H30 Zr -","- C22 H30 Zr -","- C88 H120 Zr4 -","4","1","","Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara","Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond","Journal of the American Chemical Society","2004","126","","60","61","10.1021/ja0385742","","","0.71073","MoKα","","0.0381","0.0303","","","0.0667","0.0688","","","","","","1.151","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060214","10.5259","0.0002","33.0858","0.0004","8.2256","0.0001","90","","105.661","0.0005","90","","2758.28","0.07","200.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 P Zr2 -","- C27 H33 P Zr2 -","- C108 H132 P4 Zr8 -","4","1","","Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara","Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond","Journal of the American Chemical Society","2004","126","","60","61","10.1021/ja0385742","","","0.7107","MoKα","","","0.0409","","","","0.1316","","","","","","1.707","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060215","11.715","0.002","10.248","0.002","15.159","0.003","90","","91.81","0.02","90","","1819","0.7","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","manganese(II) formate dioxane solvate","","","- C3.33 H4.67 Mn O4.67 -","- C3.33333 H4.66667 Mn O4.66667 -","- C40 H56 Mn12 O56 -","12","3","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0604","0.0507","","","0.1242","0.1303","","","","","","1.041","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060216","11.7203","0.0012","10.207","0.0011","14.9556","0.0015","90","","91.439","0.002","90","","1788.6","0.3","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","manganese(II) formate","","","- C2 H2 Mn O4 -","- C2 H2 Mn O4 -","- C24 H24 Mn12 O48 -","12","3","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0595","0.0497","","","0.1177","0.1225","","","","","","1.084","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060217","12.8962","0.0014","8.3888","0.0009","11.6442","0.0013","90","","90","","90","","1259.7","0.2","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H2 Mn O4 -","- C6 H6 Mn3 O12 -","- C24 H24 Mn12 O48 -","4","1","","Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim","Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties","Journal of the American Chemical Society","2004","126","","32","33","10.1021/ja038678c","","","0.71073","MoKα","","0.0473","0.044","","","0.1097","0.1118","","","","","","1.033","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060218","33.261","0.001","30.9581","0.0011","20.083","0.0008","90","","125.329","0.002","90","","16871.2","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C95 H99 B2 Fe N11 O -","- C95 H99 B2 Fe N11 O -","- C760 H792 B16 Fe8 N88 O8 -","8","1","","Andreas A. Danopoulos; Nikolaos Tsoureas; Joseph A. Wright; Mark E. Light","N-Heterocyclic Pincer Dicarbene Complexes of Iron(II): C-2 and C-5 Metalated Carbenes on the Same Metal Center","Organometallics","2004","23","","166","168","10.1021/om0341911","","","0.71073","MoKα","","0.1819","0.087","","","0.2122","0.2564","","","","","","1.023","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060219","12.5062","0.0005","21.1","0.0012","28.3424","0.0016","90","","90","","90","","7479","0.7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38.5 H49.5 Cl2 Fe N5.5 O -","- C38.5 H49.5 Cl2 Fe N5.5 O -","- C308 H396 Cl16 Fe8 N44 O8 -","8","2","","Andreas A. Danopoulos; Nikolaos Tsoureas; Joseph A. Wright; Mark E. Light","N-Heterocyclic Pincer Dicarbene Complexes of Iron(II): C-2 and C-5 Metalated Carbenes on the Same Metal Center","Organometallics","2004","23","","166","168","10.1021/om0341911","","","0.71073","MoKα","","0.2243","0.0707","","","0.1124","0.1486","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060220","34.5914","0.0006","34.5914","0.0006","41.4059","0.0012","90","","90","","120","","42907.1","1.6","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C23.8 H29.9 Br1.22 Fe0.61 N3.05 O0.61 -","- C23.7966 H29.8983 Br1.22034 Fe0.610169 N3.05085 O0.610169 -","- C1404 H1764 Br72 Fe36 N180 O36 -","59","3.27778","","Andreas A. Danopoulos; Nikolaos Tsoureas; Joseph A. Wright; Mark E. Light","N-Heterocyclic Pincer Dicarbene Complexes of Iron(II): C-2 and C-5 Metalated Carbenes on the Same Metal Center","Organometallics","2004","23","","166","168","10.1021/om0341911","","","0.71073","MoKα","","0.3149","0.0925","","","0.2065","0.2852","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060221","8.6548","0.0003","11.0158","0.0008","11.0685","0.0007","104.516","0.005","106.106","0.004","98.033","0.004","956.32","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H44 B20 P2 Pt Si2 -","- C20 H44 B20 P2 Pt Si2 -","- C20 H44 B20 P2 Pt Si2 -","1","0.5","","Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang","Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes","Organometallics","2004","23","","203","214","10.1021/om034112l","","","0.7107","MoKα","","0.0309","0.0288","","0.0732","0.0722","","","","1.078","1.071","1.071","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060222","9.5","0.0009","22.6734","0.0014","14.6629","0.0006","90","","95.864","0.005","90","","3141.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 B20 P2 Pt Si2 -","- C12 H44 B20 P2 Pt Si2 -","- C48 H176 B80 P8 Pt4 Si8 -","4","1","","Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang","Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes","Organometallics","2004","23","","203","214","10.1021/om034112l","","","0.7107","MoKα","","0.0545","0.0342","","","0.1286","0.1539","","","","","","1.236","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060223","11.8496","0.0008","15.6864","0.0016","23.4039","0.0014","90","","93.792","0.005","90","","4340.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 B20 P2 Pt Si2 -","- C32 H52 B20 P2 Pt Si2 -","- C128 H208 B80 P8 Pt4 Si8 -","4","1","","Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang","Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes","Organometallics","2004","23","","203","214","10.1021/om034112l","","","0.7107","MoKα","","0.0561","0.0298","","","0.0635","0.0699","","","","","","1.076","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060224","11.8802","0.0012","15.6451","0.0011","23.4052","0.0017","90","","93.557","0.007","90","","4341.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 B20 P2 Pd Si2 -","- C32 H52 B20 P2 Pd Si2 -","- C128 H208 B80 P8 Pd4 Si8 -","4","1","","Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang","Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes","Organometallics","2004","23","","203","214","10.1021/om034112l","","","0.7107","MoKα","","0.1218","0.0614","","","0.1624","0.208","","","","","","1.057","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060225","13.0608","0.0006","18.2963","0.0011","16.389","0.0007","90","","103.262","0.004","90","","3811.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B10 P2 Pt Si -","- C34 H42 B10 P2 Pt Si -","- C136 H168 B40 P8 Pt4 Si4 -","4","1","","Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang","Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes","Organometallics","2004","23","","203","214","10.1021/om034112l","","","0.7107","MoKα","","0.0913","0.0389","","","0.0965","0.1143","","","","","","0.71","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060226","11.9428","0.0006","12.8016","0.0006","13.681","0.002","96.647","0.008","95.711","0.008","92.512","0.004","2064","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 B20 P2 Pt Si -","- C30 H48 B20 P2 Pt Si -","- C60 H96 B40 P4 Pt2 Si2 -","2","1","","Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang","Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes","Organometallics","2004","23","","203","214","10.1021/om034112l","","","0.7107","MoKα","","0.0408","0.0311","","","0.122","0.1317","","","","","","1.116","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060227","14.461","0.001","10.313","0.001","25.063","0.001","90","","90.902","0.001","90","","3737.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","fac-[1,2-dimethoxycarbonylvinylbis(diphenylphosphanyl)methanide tricarbonyl tertbutylisocyanide manganese(I)]hydrate","","- C39 H36.64 Mn N O7.32 P2 -","- C39 H36 Mn N O7.322 P2 -","- C156 H144 Mn4 N4 O29.288 P8 -","4","1","","Javier Ruiz; Roberto Quesada; Víctor Riera; Eduardo Castellano; Oscar Piro","Metal-Assisted Regio- and Stereospecific Insertion of Alkynes into a C-H Bond, Leading to Functionalized Diphosphane Ligands","Organometallics","2004","23","","175","177","10.1021/om034269d","","","0.71073","MoKα","","0.0504","0.0359","","","0.0918","0.1059","","","","","","1.107","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060228","18.821","0.001","18.95","0.001","19.487","0.001","90","","90","","90","","6950.2","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","fac-[2-methoxycarbonylvinylbis(diphenylphosphanyl)methanide tricarbonyl tertbutylisocyanide manganese(I)]","","- C37 H34 Mn N O5 P2 -","- C37 H34 Mn N O5 P2 -","- C296 H272 Mn8 N8 O40 P16 -","8","1","","Javier Ruiz; Roberto Quesada; Víctor Riera; Eduardo Castellano; Oscar Piro","Metal-Assisted Regio- and Stereospecific Insertion of Alkynes into a C-H Bond, Leading to Functionalized Diphosphane Ligands","Organometallics","2004","23","","175","177","10.1021/om034269d","","","0.71073","MoKα","","0.0586","0.0421","","","0.1098","0.1224","","","","","","1.067","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060229","8.155","0.001","22.599","0.003","9.644","0.002","90","","114.49","0.01","90","","1617.4","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H54 Al2 Mg2 O8 -","- C20.11 H54 Al2 Mg2 O7.37 -","- C40.22 H108 Al4 Mg4 O14.74 -","2","0.5","","Józef Utko; Agnieszka Lizurek; Lucjan B. Jerzykiewicz; Piotr Sobota","Syntheses and Molecular Structure of [Mg2(OR)4(AlMe3)2] and [ZrCl3(OR)2(AlMe2)] (OR =1-methoxy-2-propoxide)","Organometallics","2004","23","","296","298","10.1021/om034263o","","","0.71073","MoKα","","0.0853","0.0643","","","0.1658","0.1791","","","","","","1.088","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060230","18.34","0.004","10.932","0.002","9.062","0.002","90","","90","","90","","1816.9","0.7","100","1","100","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H24 Al Cl3 O4 Zr -","- C10 H24 Al Cl3 O4 Zr -","- C40 H96 Al4 Cl12 O16 Zr4 -","4","0.5","","Józef Utko; Agnieszka Lizurek; Lucjan B. Jerzykiewicz; Piotr Sobota","Syntheses and Molecular Structure of [Mg2(OR)4(AlMe3)2] and [ZrCl3(OR)2(AlMe2)] (OR =1-methoxy-2-propoxide)","Organometallics","2004","23","","296","298","10.1021/om034263o","","","0.71073","MoKα","","0.0397","0.0298","","","0.0809","0.0846","","","","","","1.064","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060231","10.906","0.002","13.048","0.002","10.811","0.002","90","","117.287","0.003","90","","1367.3","0.5","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 B10 -","- C7 H22 B10 -","- C28 H88 B40 -","4","1","","Xiaolan Wei; Patrick J. Carroll; Larry G. Sneddon","New Routes to Organodecaborane Polymers via Ruthenium-Catalyzed Ring-Opening Metathesis Polymerization","Organometallics","2004","23","","163","165","10.1021/om0342107","","","0.71069","MoKα","","0.0901","0.077","","","0.2035","0.2184","","","","","","1.062","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060232","12.7813","0.001","13.8254","0.0008","16.7924","0.0014","90","","90","","90","","2967.3","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Fe2 O5 -","- C17 H8 Fe2 O5 -","- C136 H64 Fe16 O40 -","8","1","","Niibayashi, Shota; Matsubara, Kouki; Haga, Masa-aki; Nagashima, Hideo","Thermally Reversible Photochemical Haptotropic Rearrangement of Diiron Carbonyl Complexes Bearing a Bridging Acenaphthylene or Aceanthrylene Ligand","Organometallics","2004","23","4","635","646","10.1021/om034117i","","","0.71069","MoKα","","0.0386","0.0332","","","0.0745","0.0766","","","","","","1.063","","","","has coordinates","210386","2020-10-21","18:00:00",""
"4060233","7.9815","0.0017","12.874","0.0018","7.8145","0.0015","100.42","0.009","111.648","0.009","88.591","0.012","733.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H8 Fe2 O5 -","- C17 H8 Fe2 O5 -","- C34 H16 Fe4 O10 -","2","1","","Niibayashi, Shota; Matsubara, Kouki; Haga, Masa-aki; Nagashima, Hideo","Thermally Reversible Photochemical Haptotropic Rearrangement of Diiron Carbonyl Complexes Bearing a Bridging Acenaphthylene or Aceanthrylene Ligand","Organometallics","2004","23","4","635","646","10.1021/om034117i","","","0.71069","MoKα","","0.0696","0.0533","","","0.135","0.1543","","","","","","1.128","","","","has coordinates","210386","2020-10-21","18:00:00",""
"4060234","12.7522","0.0019","11.951","0.002","13.4917","0.0016","90","","103.053","0.01","90","","2003.1","0.5","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 Fe2 O5 -","- C24 H13 Fe2 O5 -","- C96 H52 Fe8 O20 -","4","1","","Niibayashi, Shota; Matsubara, Kouki; Haga, Masa-aki; Nagashima, Hideo","Thermally Reversible Photochemical Haptotropic Rearrangement of Diiron Carbonyl Complexes Bearing a Bridging Acenaphthylene or Aceanthrylene Ligand","Organometallics","2004","23","4","635","646","10.1021/om034117i","","","0.71069","MoKα","","0.1147","0.0417","","","0.1109","0.1336","","","","","","1.006","","","","has coordinates","210386","2020-10-21","18:00:00",""
"4060235","11.3256","0.0004","20.6199","0.0005","5.3836","0.0002","90","","90","","90","","1257.25","0.07","223","2","223","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C5 H7 O2 Tl -","- C5 H7 O2 Tl -","- C40 H56 O16 Tl8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om034167n","","","0.71073","MoKα","","0.0429","0.0388","","","0.1013","0.1037","","","","","","1.179","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060236","19.4326","0.0003","10.2815","0.0002","30.2571","0.0004","90","","90","","90","","6045.26","0.17","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H14 Au2 Cl20 O4 Tl4 -","- C34 H14 Au2 Cl20 O4 Tl4 -","- C136 H56 Au8 Cl80 O16 Tl16 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om034167n","","","0.71073","MoKα","","0.0711","0.0447","","","0.1044","0.1175","","","","","","1.061","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060237","7.3262","0.0001","24.2772","0.0002","15.2064","0.0003","90","","90","","90","","2704.6","0.07","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H14 Au F10 O4 Tl3 -","- C22 H14 Au F10 O4 Tl3 -","- C88 H56 Au4 F40 O16 Tl12 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om034167n","","","0.71073","MoKα","","0.0366","0.0242","","","0.0494","0.0532","","","","","","1.067","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060238","18.593","0.002","18.593","0.002","23.059","0.004","90","","90","","120","","6903.3","1.8","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C17 H24 Cu1.5 F9 N6 P1.5 -","- C17 H23.97 Cu1.5 F9 N6 P1.5 -","- C204 H287.64 Cu18 F108 N72 P18 -","12","0.333333","","","","Organometallics","2004","","","","","10.1021/om0341855","","","0.71073","MoKα","","0.0295","0.0275","","","0.0787","0.08","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060239","18.3767","0.0014","18.3767","0.0014","23.425","0.004","90","","90","","120","","6850.9","1.3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C34 H48 Au3 F18 N12 P3 -","- C34 H47.94 Au3 F18 N12 P3 -","- C204 H287.64 Au18 F108 N72 P18 -","6","0.166667","","","","Organometallics","2004","","","","","10.1021/om0341855","","","0.71073","MoKα","","0.0563","0.0416","","","0.1078","0.1149","","","","","","1.038","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060240","8.3085","0.0007","8.5524","0.0008","8.6499","0.0008","61.229","0.001","69.928","0.001","79.162","0.002","505.85","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 O10 W2 -","- C20 H14 O10 W2 -","- C20 H14 O10 W2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om034204a","","","0.71073","MoKα","","0.0595","0.0548","","","0.1332","0.1356","","","","","","1.055","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060241","7.949","0.004","8.814","0.004","11.157","0.005","98.568","0.008","98.011","0.008","110.77","0.008","706.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Fe4 O12 S2 -","- C22 H18 Fe4 O12 S2 -","- C22 H18 Fe4 O12 S2 -","1","0.5","","Song, Li-Cheng; Gong, Feng-Hua; Meng, Tao; Ge, Jian-Hua; Cui, Li-Na; Hu, Qing-Mei","General Synthetic Route to Double-Butterfly Fe/S Cluster Complexes via Reactions of the Dianions {[(μ-CO)Fe2(CO)6]2(μ-SZS-μ)}2-with Electrophiles","Organometallics","2004","23","4","823","831","10.1021/om034208f","","","0.71073","MoKα","","0.0755","0.0392","","","0.0706","0.0805","","","","","","0.931","","","","has coordinates","209878","2020-10-21","18:00:00",""
"4060242","9.301","0.006","11.76","0.008","14.532","0.01","103.889","0.011","97.842","0.011","104.773","0.01","1458.5","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Fe4 O14 S4 -","- C18 H12 Fe4 O14 S4 -","- C36 H24 Fe8 O28 S8 -","2","1","","Song, Li-Cheng; Gong, Feng-Hua; Meng, Tao; Ge, Jian-Hua; Cui, Li-Na; Hu, Qing-Mei","General Synthetic Route to Double-Butterfly Fe/S Cluster Complexes via Reactions of the Dianions {[(μ-CO)Fe2(CO)6]2(μ-SZS-μ)}2-with Electrophiles","Organometallics","2004","23","4","823","831","10.1021/om034208f","","","0.71073","MoKα","","0.0613","0.0434","","","0.1437","0.1661","","","","","","1.087","","","","has coordinates,has disorder","209878","2020-10-21","18:00:00",""
"4060243","8.224","0.003","9.766","0.003","11.153","0.004","88.962","0.006","81.064","0.006","88.23","0.006","884.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Fe4 O16 S4 -","- C24 H24 Fe4 O16 S4 -","- C24 H24 Fe4 O16 S4 -","1","0.5","","Song, Li-Cheng; Gong, Feng-Hua; Meng, Tao; Ge, Jian-Hua; Cui, Li-Na; Hu, Qing-Mei","General Synthetic Route to Double-Butterfly Fe/S Cluster Complexes via Reactions of the Dianions {[(μ-CO)Fe2(CO)6]2(μ-SZS-μ)}2-with Electrophiles","Organometallics","2004","23","4","823","831","10.1021/om034208f","","","0.71073","MoKα","","0.1065","0.0504","","","0.1161","0.1489","","","","","","1.065","","","","has coordinates","209878","2020-10-21","18:00:00",""
"4060244","7.689","0.002","13.441","0.004","19.125","0.006","75.116","0.005","87.337","0.005","74.286","0.006","1838.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Fe4 N0 O12 S2 -","- C32 H22 Fe4 O12 S2 -","- C64 H44 Fe8 O24 S4 -","2","1","","Song, Li-Cheng; Gong, Feng-Hua; Meng, Tao; Ge, Jian-Hua; Cui, Li-Na; Hu, Qing-Mei","General Synthetic Route to Double-Butterfly Fe/S Cluster Complexes via Reactions of the Dianions {[(μ-CO)Fe2(CO)6]2(μ-SZS-μ)}2-with Electrophiles","Organometallics","2004","23","4","823","831","10.1021/om034208f","","","0.71073","MoKα","","0.1123","0.0516","","","0.1025","0.1248","","","","","","1.014","","","","has coordinates","209878","2020-10-21","18:00:00",""
"4060246","9.4373","0.0008","17.004","0.0011","27.82","0.003","90","","91.682","0.003","90","","4462.4","0.6","173","2","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 N O5 P3 Si V -","- C36 H55 N O5 P3 Si V -","- C144 H220 N4 O20 P12 Si4 V4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034227p","","","0.71069","MoKα","","0.1653","0.0804","","","0.1813","0.2045","","","","","","0.95","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060247","9.4054","0.0008","9.6","0.002","20.416","0.001","83.455","0.004","85.32","0.004","80.216","0.008","1801.2","0.4","173.2","","173","1","","","","","","","","8","P -1","-P 1","2","","","","- C25 H60 Cl N O3 P3 Si2 V -","- C25 H60 Cl N O3.003 P3 Si2 V -","- C50 H120 Cl2 N2 O6.006 P6 Si4 V2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034227p","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060248","10.504","0.002","10.977","0.001","13.331","0.0006","70.408","0.002","88.465","0.002","84.656","0.002","1441.8","0.2","173.2","","173","1","","","","","","","","8","P 1","P 1","1","","","","- C27 H70 Cl2 I6 O8 P6 Si2 V -","- C27 H68 Cl2 I6 O8 P6 Si2 V -","- C27 H68 Cl2 I6 O8 P6 Si2 V -","1","1","","","","Organometallics","2004","","","","","10.1021/om034227p","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060249","9.3946","0.0003","34.3472","0.0009","19.4549","0.0005","90","","101.726","0.001","90","","6146.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N2 O6 P2 Pd -","- C34 H28 N2 O6 P2 Pd -","- C272 H224 N16 O48 P16 Pd8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om0342309","","","0.71073","MoKα","","0.0395","0.0322","","","0.07","0.0728","","","","","","1.063","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060250","12.5532","0.0015","16.599","0.002","17.6","0.002","90","","99.375","0.002","90","","3618.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 Cl4 O8 P6 Pd -","- C78 H72 Cl4 O8 P6 Pd -","- C156 H144 Cl8 O16 P12 Pd2 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om0342309","","","0.71073","MoKα","","0.0853","0.0662","","","0.1441","0.1511","","","","","","1.118","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060251","9.409","0.0008","11.6613","0.001","17.6423","0.0015","93.013","0.001","104.847","0.001","96.918","0.001","1850.4","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 O3 P3 Pd -","- C40 H39 Cl2 O3 P3 Pd -","- C80 H78 Cl4 O6 P6 Pd2 -","2","2","","","","Organometallics","2004","","","","","10.1021/om0342309","","","0.71073","MoKα","","0.0283","0.0272","","","0.0653","0.0659","","","","","","1.03","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060252","13.364","0.004","7.5144","0.0012","15.789","0.005","90","","91.108","0.005","90","","1585.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Cl N P -","- C15 H21 Cl N P -","- C60 H84 Cl4 N4 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.0743","0.0562","","","0.1276","0.1363","","","","","","1.131","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060253","11.352","0.002","13.204","0.003","15.634","0.003","70.59","0.03","69.87","0.03","86.51","0.03","2071.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H61 B10 Li N O6 P -","- C29 H61 B10 Li N O6 P -","- C58 H122 B20 Li2 N2 O12 P2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.1009","0.0908","","","0.2465","0.2596","","","","","","1.118","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060254","10.2153","0.0011","19.24","0.002","11.8583","0.0012","90","","98.978","0.002","90","","2302.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 B10 N P -","- C17 H32 B10 N P -","- C68 H128 B40 N4 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.0978","0.0612","","","0.157","0.1808","","","","","","0.993","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060255","11.947","0.002","18.032","0.004","17.016","0.003","90","","102.45","0.03","90","","3579.5","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H50 B10 N O4 P Yb -","- C25 H50 B10 N O4 P Yb -","- C100 H200 B40 N4 O16 P4 Yb4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.0669","0.0583","","","0.1431","0.1496","","","","","","1.073","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060256","24.441","0.005","11.136","0.002","26.313","0.005","90","","112.57","0.03","90","","6613","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H94 B20 Li N2 O4 P2 Yb -","- C50 H94 B20 Li N2 O4 P2 Yb -","- C200 H376 B80 Li4 N8 O16 P8 Yb4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.11","0.082","","","0.2038","0.2261","","","","","","0.982","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060257","18.16","0.003","18.178","0.003","21.215","0.004","90","","102.994","0.004","90","","6824","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H90 B20 Li N2 O6 P2 Sm -","- C44.29 H86.12 B19.54 Li N2 O6 P2 Sm -","- C177.16 H344.48 B78.16 Li4 N8 O24 P8 Sm4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.0956","0.068","","","0.2147","0.2304","","","","","","1.063","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060258","18.167","0.003","18.183","0.003","21.27","0.004","90","","103.274","0.004","90","","6839","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H90 B20 Li N2 Nd O6 P2 -","- C46 H90 B20 Li N2 Nd O6 P2 -","- C184 H360 B80 Li4 N8 Nd4 O24 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.1545","0.08","","","0.2096","0.248","","","","","","0.936","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060259","14.0158","0.0008","13.6431","0.0008","33.688","0.002","90","","99.643","0.001","90","","6350.8","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H88 B20 Li N2 O5 P2 Y -","- C46 H88 B20 Li N2 O5 P2 Y -","- C184 H352 B80 Li4 N8 O20 P8 Y4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.0576","0.0394","","","0.1032","0.1089","","","","","","0.98","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060260","21.6048","0.001","13.9327","0.0006","32.94","0.0015","90","","103.21","0.001","90","","9653","0.8","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62 H130 B20 Cl5 Er2 Li3 N2 O14 P2 -","- C62 H131 B20 Cl5 Er2 Li3 N2 O14 P2 -","- C248 H524 B80 Cl20 Er8 Li12 N8 O56 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.0947","0.0727","","","0.1918","0.2231","","","","","","1.087","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060261","21.5727","0.0016","13.9363","0.001","32.96","0.003","90","","103.189","0.002","90","","9647.8","1.2","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62 H130 B20 Cl5 Li3 N2 O14 P2 Y2 -","- C62 H100 B20 Cl5 Li3 N2 O14 P2 Y2 -","- C248 H400 B80 Cl20 Li12 N8 O56 P8 Y8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.1485","0.0928","","","0.2506","0.2737","","","","","","1.076","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060262","13.6104","0.0013","20.136","0.0019","21.66","0.002","90","","90","","90","","5936","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H76 B20 K N2 P2 Y -","- C48 H66 B20 K N2 P2 Y -","- C192 H264 B80 K4 N8 P8 Y4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.1256","0.0579","","","0.1208","0.1417","","","","","","0.993","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060263","28.6463","0.0015","21.4575","0.0012","20.0659","0.001","90","","130.708","0.001","90","","9349.7","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H68 B12 Li N O6 P Y -","- C29 H68 B12 Li N O6 P Y -","- C232 H544 B96 Li8 N8 O48 P8 Y8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.1336","0.0556","","","0.1316","0.1489","","","","","","0.849","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060264","8.9973","0.0003","10.9389","0.0002","18.3373","0.0006","90","","93.687","0.001","90","","1801.03","0.09","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 B6 P -","- C15 H25 B6 P -","- C60 H100 B24 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034274h","","","0.71069","MoKα","","0.0734","0.0646","","0.1303","0.1264","","","","1.194","1.222","1.222","","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060265","10.199","0.002","16.768","0.003","19.803","0.003","90","","90","","90","","3386.6","0.9","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 B6 P -","- C14 H23 B6 P -","- C112 H184 B48 P8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om034274h","","","0.71069","MoKα","","0.0707","0.0606","","0.1519","0.1462","","","","1.051","1.088","1.088","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4060266","8.943","0.003","9.95","0.003","10.833","0.004","90","","112.996","0.005","90","","887.4","0.5","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034278m","","","0.71073","MoKα","","0.0501","0.0485","","","0.1259","0.1279","","","","","","1.155","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060267","8.227","0.007","8.769","0.008","8.92","0.008","112.535","0.013","93.38","0.015","103.536","0.013","569.9","0.9","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O -","- C10 H10 O -","- C30 H30 O3 -","3","1.5","","","","Organometallics","2004","","","","","10.1021/om034278m","","","0.71073","MoKα","","0.0472","0.0437","","","0.1185","0.122","","","","","","1.079","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060268","10.8844","0.0001","17.7818","0.0002","17.5881","0.0002","90","","91.9127","0.0003","90","","3402.18","0.06","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 O5 P2 W -","- C41 H30 O5 P2 W -","- C164 H120 O20 P8 W4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0343061","","","0.71073","MoKα","","0.0634","0.0356","","","0.0755","0.1002","","","","","","1.106","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060269","9.4288","0.0004","16.9288","0.0007","21.2946","0.0009","90","","101.595","0.001","90","","3329.6","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 O4 P2 W -","- C40 H30 O4 P2 W -","- C160 H120 O16 P8 W4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0343061","","","0.71073","MoKα","","0.0469","0.0365","","","0.0809","0.0912","","","","","","1.09","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060270","9.8218","0.0009","13.7537","0.0012","21.2007","0.0018","73.649","0.002","83.467","0.002","73.488","0.002","2633","0.4","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H48 Cl2 O4.5 P3 W -","- C61 H48 Cl2 O4.5 P3 W -","- C122 H96 Cl4 O9 P6 W2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0343061","","","0.71073","MoKα","","0.1045","0.069","","","0.1538","0.1884","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060271","8.262","0.008","17.49","0.03","18.63","0.02","90","","100.25","0.02","90","","2649.7","5.9","173","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H86 Br2 Ni2 P4 -","- C49 H86 Br2 Ni2 P4 -","- C98 H172 Br4 Ni4 P8 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034380j","","","0.7107","MoKα","","","0.071","","","","0.213","","","","","","1.073","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060272","10.58","0.02","15.87","0.02","14.26","0.03","90","","110.33","0.06","90","","2244.1","7.1","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 Br Ni P2 -","- C20 H37 Br Ni P2 -","- C80 H148 Br4 Ni4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034380j","","","0.7107","MoKα","","","0.074","","","","0.146","","","","","","1.078","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060273","8.315","0.01","18.69","0.02","20.68","0.02","90","","96.9","0.05","90","","3190.5","6","173","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H47 Br3 Ni O P2 Zn -","- C25 H47 Br3 Ni O P2 Zn -","- C100 H188 Br12 Ni4 O4 P8 Zn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034380j","","","0.7107","MoKα","","","0.06","","","","0.124","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060274","8.574","0.009","19.26","0.04","19.15","0.02","90","","98.51","0.02","90","","3127.5","8","173","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H45 Br3 Ni O P2 Zn -","- C24 H45 Br3 Ni O P2 Zn -","- C96 H180 Br12 Ni4 O4 P8 Zn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034380j","","","0.7107","MoKα","","","0.096","","","","0.237","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060972","8.9377","0.0005","9.9806","0.0006","11.116","0.0006","110.956","0.001","102.367","0.001","98.624","0.001","876.17","0.09","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N2 O2 Pd -","- C19 H24 N2 O2 Pd -","- C38 H48 N4 O4 Pd2 -","2","1","","Canty, Allan J.; Denney, Melanie C.; van Koten, Gerard; Skelton, Brian W.; White, Allan H.","Carbon‒Oxygen Bond Formation at Metal(IV) Centers: Reactivity of Palladium(II) and Platinum(II) Complexes of the [2,6-(Dimethylaminomethyl)phenyl-N,C,N]-(Pincer) Ligand toward Iodomethane and Dibenzoyl Peroxide; Structural Studies of M(II) and M(IV) Complexes","Organometallics","2004","23","23","5432","5439","10.1021/om040061w","","","","","","","","","","","","","","","","","","","","","has coordinates","209963","2020-10-21","18:00:00",""
"4060973","8.9088","0.0008","10.0224","0.0008","11.1315","0.0009","110.808","0.002","102.223","0.002","98.923","0.002","878.69","0.13","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N2 O2 Pt -","- C19 H24 N2 O2 Pt -","- C38 H48 N4 O4 Pt2 -","2","1","","Canty, Allan J.; Denney, Melanie C.; van Koten, Gerard; Skelton, Brian W.; White, Allan H.","Carbon‒Oxygen Bond Formation at Metal(IV) Centers: Reactivity of Palladium(II) and Platinum(II) Complexes of the [2,6-(Dimethylaminomethyl)phenyl-N,C,N]-(Pincer) Ligand toward Iodomethane and Dibenzoyl Peroxide; Structural Studies of M(II) and M(IV) Complexes","Organometallics","2004","23","23","5432","5439","10.1021/om040061w","","","","","","","","","","","","","","","","","","","","","has coordinates","209963","2020-10-21","18:00:00",""
"4060974","15.0359","0.0009","30.474","0.002","8.9499","0.0006","90","","120.484","0.002","90","","3534","0.4","150","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H37 N2 O6.5 Pt -","- C34.5 H37 N2 O6.5 Pt -","- C138 H148 N8 O26 Pt4 -","4","0.5","","Canty, Allan J.; Denney, Melanie C.; van Koten, Gerard; Skelton, Brian W.; White, Allan H.","Carbon‒Oxygen Bond Formation at Metal(IV) Centers: Reactivity of Palladium(II) and Platinum(II) Complexes of the [2,6-(Dimethylaminomethyl)phenyl-N,C,N]-(Pincer) Ligand toward Iodomethane and Dibenzoyl Peroxide; Structural Studies of M(II) and M(IV) Complexes","Organometallics","2004","23","23","5432","5439","10.1021/om040061w","","","","","","","","","","","","","","","","","","","","","has coordinates","209963","2020-10-21","18:00:00",""
"4060975","11.8427","0.0008","12.6435","0.0008","12.8944","0.0008","100.58","0.002","114.772","0.001","104.139","0.001","1607.8","0.18","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N2 O5 Pt -","- C36 H42 N2 O5 Pt -","- C72 H84 N4 O10 Pt2 -","2","1","","Canty, Allan J.; Denney, Melanie C.; van Koten, Gerard; Skelton, Brian W.; White, Allan H.","Carbon‒Oxygen Bond Formation at Metal(IV) Centers: Reactivity of Palladium(II) and Platinum(II) Complexes of the [2,6-(Dimethylaminomethyl)phenyl-N,C,N]-(Pincer) Ligand toward Iodomethane and Dibenzoyl Peroxide; Structural Studies of M(II) and M(IV) Complexes","Organometallics","2004","23","23","5432","5439","10.1021/om040061w","","","","","","","","","","","","","","","","","","","","","has coordinates","209963","2020-10-21","18:00:00",""
"4060976","9.3107","0.0007","11.6368","0.0009","27.094","0.002","90","","95.497","0.002","90","","2922","0.4","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N2 O6 Pt -","- C30 H38 N2 O6 Pt -","- C120 H152 N8 O24 Pt4 -","4","1","","Canty, Allan J.; Denney, Melanie C.; van Koten, Gerard; Skelton, Brian W.; White, Allan H.","Carbon‒Oxygen Bond Formation at Metal(IV) Centers: Reactivity of Palladium(II) and Platinum(II) Complexes of the [2,6-(Dimethylaminomethyl)phenyl-N,C,N]-(Pincer) Ligand toward Iodomethane and Dibenzoyl Peroxide; Structural Studies of M(II) and M(IV) Complexes","Organometallics","2004","23","23","5432","5439","10.1021/om040061w","","","","","","","","","","","","","","","","","","","","","has coordinates","209963","2020-10-21","18:00:00",""
"4060977","15.917","0.002","30.197","0.004","7.3647","0.0006","90","","90","","90","","3539.7","0.7","297","2","297","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10 H20 Cu F6 N2 P S2 -","- C10 H20 Cu F6 N2 P S2 -","- C80 H160 Cu8 F48 N16 P8 S16 -","8","2","","Conry ,Rebecca R.; Tipton, A. Alex; Striejewske, William S.; Erkizia, Edurne; Malwitz, Mark A.; Caffaratti, Angela; Natkin, Jonathan A.","Copper Complexes with N-Alkylated NS~2~-Macrocyclic Ligands: Synthesis, Characterization, and Capabilities as Aziridination Precatalysts","Organometallics","2004","23","22","5210","5218","10.1021/om040098g","","","","","","","0.0555","","","0.1352","","","","","","","","","","","has coordinates","133737","2020-10-21","18:00:00",""
"4060978","7.7942","0.0006","12.6656","0.0014","13.8021","0.0014","90","","90","","90","","1362.5","0.2","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Complex 4","","","- C8 H17 Br2 Cu N S2 -","- C8 H17 Br2 Cu N S2 -","- C32 H68 Br8 Cu4 N4 S8 -","4","1","","Conry ,Rebecca R.; Tipton, A. Alex; Striejewske, William S.; Erkizia, Edurne; Malwitz, Mark A.; Caffaratti, Angela; Natkin, Jonathan A.","Copper Complexes with N-Alkylated NS~2~-Macrocyclic Ligands: Synthesis, Characterization, and Capabilities as Aziridination Precatalysts","Organometallics","2004","23","22","5210","5218","10.1021/om040098g","","","","","","","0.0367","","","0.0775","","","","","","","","","","","has coordinates","133737","2020-10-21","18:00:00",""
"4060979","9.594","0.004","15.841","0.01","10.786","0.005","90","","106.49","0.03","90","","1572","1.4","243","2","243","2","","","","","","","","6","P 1 21 1","P 2yb","4","((C10H6)O)2PNCH((Me)(Ph))2","","","?","- C37 H32 Cl2 N O2 P -","- C74 H64 Cl4 N2 O4 P2 -","2","1","","Hölscher, Markus; Franciò, Giancarlo; Leitner, Walter","Origin of Enantioselectivity in Asymmetric Hydrovinylations Catalyzed by Phosphoramidite Nickel Catalysts: An Experimentally Supported Density Functional Study","Organometallics","2004","23","23","5606","5617","10.1021/om040107l","","","","","","","","","","","","","","","","","","","","","has coordinates","209933","2020-10-21","18:00:00",""
"4060980","32.942","0.017","15.15","0.008","8.584","0.005","90","","90","","90","","4284","4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H26 B F4 O2 Rh -","- C20 H26 B F4 O2 Rh -","- C160 H208 B8 F32 O16 Rh8 -","8","2","","Haynes, Anthony; Haslam, Claire E.; Bonnington, Kevin J.; Parish, Louise; Adams, Harry; Spey, Sharon E.; Marder, Todd B.; Coventry, David N.","Facile Alkene Insertion into a Rhodium(III)‒Acetyl Bond: Potential Catalysts for CO/Alkene Copolymerization","Organometallics","2004","23","25","5907","5909","10.1021/om049258e","","","","","","","","","","","","","","","","","","","","","has coordinates","209968","2020-10-21","18:00:00",""
"4060981","11.872","0.004","15.409","0.004","12.658","0.004","90","","94.19","0.02","90","","2309.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 B F4 O2 Rh -","- C23 H30 B F4 O2 Rh -","- C92 H120 B4 F16 O8 Rh4 -","4","1","","Haynes, Anthony; Haslam, Claire E.; Bonnington, Kevin J.; Parish, Louise; Adams, Harry; Spey, Sharon E.; Marder, Todd B.; Coventry, David N.","Facile Alkene Insertion into a Rhodium(III)‒Acetyl Bond: Potential Catalysts for CO/Alkene Copolymerization","Organometallics","2004","23","25","5907","5909","10.1021/om049258e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209968","2020-10-21","18:00:00",""
"4060982","12.603","0.002","16.901","0.003","16.917","0.003","60.196","0.003","75.945","0.003","78.761","0.003","3021.3","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C4.44 H10.22 K0.11 O0.67 Si Zn0.11 -","- C4.44444 H10.2222 K0.111111 O0.666667 Si Zn0.111111 -","- C80 H184 K2 O12 Si18 Zn2 -","18","9","","Woods, Jaime B.; Yu, Xianghua; Chen, Tianniu; Xue, Zi-Ling","A Trisilyl Zincate Containing Bidentate [(Me3Si)2Si(CH2)2Si(SiMe3)2]2- Ligands","Organometallics","2004","23","25","5910","5912","10.1021/om049277o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209967","2020-10-21","18:00:00",""
"4060983","11.658","0.002","22.853","0.004","24.228","0.005","90","","102.655","0.004","90","","6298","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H62 N2 O10 Zr2 -","- C76 H62 N2 O10 Zr2 -","- C304 H248 N8 O40 Zr8 -","4","1","","Zhou, Shaolin; Liu, Dongyun; Liu, Yuanhong","Heterocyclized Carbometalation of Alkynes: Unexpected Formation of Eight-Membered Oxazirconacycles with an Intramolecularly Coordinated Isoquinoline Moiety","Organometallics","2004","23","25","5900","5902","10.1021/om049302q","","","","","","","","","","","","","","","","","","","","","has coordinates","209951","2020-10-21","18:00:00",""
"4060984","21.118","0.005","13.125","0.003","17.174","0.004","90","","121.528","0.003","90","","4057.5","1.7","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H72 Si4 -","- C38 H72 Si4 -","- C152 H288 Si16 -","4","0.5","","Tsutsui, Shinobu; Tanaka, Hiromasa; Kwon, Eunsang; Matsumoto, Shigeki; Sakamoto, Kenkichi","Thermal Equilibrium between a Lattice-Framework Disilene and the Corresponding Silylene","Organometallics","2004","23","24","5659","5661","10.1021/om049306v","","","","","","","","","","","","","","","","","","","","","has coordinates","209940","2020-10-21","18:00:00",""
"4060985","16.8242","0.0008","11.9429","0.0005","19.9351","0.0009","90","","103.917","0.001","90","","3888","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 B4 Ir Mo O4 -","- C14 H23 B4 Ir Mo O4 -","- C112 H184 B32 Ir8 Mo8 O32 -","8","2","","Macías, Ramón; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce","Heterobimetallic Metallaborane Chemistry: Synthesis and Characterization of a ""Lightly Stabilized"" Molybdairidahexaborane, [{Cp*Ir}{(CO)3(THF)Mo}B4H8], and Its Direct Conversion to [{Cp*Ir}{(CO)3(L)Mo}B4H8] (L = CO, PPh3, NCPh, CNBu, NH3, PPh3CHC(O)OMe)","Organometallics","2004","23","25","5994","6001","10.1021/om049308f","","","","","","","","","","","","","","","","","","","","","has coordinates","209957","2020-10-21","18:00:00",""
"4060986","29.274","0.0006","10.5875","0.0002","17.3862","0.0004","90","","119.818","0.001","90","","4675.24","0.17","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 B4 Ir Mo N O3 -","- C20 H28 B4 Ir Mo N O3 -","- C160 H224 B32 Ir8 Mo8 N8 O24 -","8","1","","Macías, Ramón; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce","Heterobimetallic Metallaborane Chemistry: Synthesis and Characterization of a ""Lightly Stabilized"" Molybdairidahexaborane, [{Cp*Ir}{(CO)3(THF)Mo}B4H8], and Its Direct Conversion to [{Cp*Ir}{(CO)3(L)Mo}B4H8] (L = CO, PPh3, NCPh, CNBu, NH3, PPh3CHC(O)OMe)","Organometallics","2004","23","25","5994","6001","10.1021/om049308f","","","","","","","","","","","","","","","","","","","","","has coordinates","209957","2020-10-21","18:00:00",""
"4060987","13.7651","0.0003","13.8575","0.0003","24.5446","0.0005","90","","90","","90","","4681.88","0.17","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B4 Ir Mo N O3 -","- C18 H31.69 B4 Ir Mo N O3 -","- C144 H253.52 B32 Ir8 Mo8 N8 O24 -","8","1","","Macías, Ramón; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce","Heterobimetallic Metallaborane Chemistry: Synthesis and Characterization of a ""Lightly Stabilized"" Molybdairidahexaborane, [{Cp*Ir}{(CO)3(THF)Mo}B4H8], and Its Direct Conversion to [{Cp*Ir}{(CO)3(L)Mo}B4H8] (L = CO, PPh3, NCPh, CNBu, NH3, PPh3CHC(O)OMe)","Organometallics","2004","23","25","5994","6001","10.1021/om049308f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060988","8.748","0.0003","26.1356","0.0011","8.6082","0.0003","90","","108.253","0.002","90","","1869.1","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 B4 Ir Mo N O3 -","- C13 H26 B4 Ir Mo N O3 -","- C52 H104 B16 Ir4 Mo4 N4 O12 -","4","1","","Macías, Ramón; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce","Heterobimetallic Metallaborane Chemistry: Synthesis and Characterization of a ""Lightly Stabilized"" Molybdairidahexaborane, [{Cp*Ir}{(CO)3(THF)Mo}B4H8], and Its Direct Conversion to [{Cp*Ir}{(CO)3(L)Mo}B4H8] (L = CO, PPh3, NCPh, CNBu, NH3, PPh3CHC(O)OMe)","Organometallics","2004","23","25","5994","6001","10.1021/om049308f","","","","","","","","","","","","","","","","","","","","","has coordinates","209957","2020-10-21","18:00:00",""
"4060989","13.7737","0.0013","14.1295","0.0014","18.4534","0.0018","86.831","0.001","71.793","0.001","68.062","0.001","3156.8","0.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H62 Ag2 B2 Cl6 F8 N8 -","- C53 H62 Ag2 B2 Cl6 F8 N8 -","- C106 H124 Ag4 B4 Cl12 F16 N16 -","2","1","","Wanniarachchi, Yoshitha A.; Khan, Masood A.; Slaughter, LeGrande M.","An Unusually Static, Sterically Hindered Silver Bis(N-heterocyclic carbene) Complex and Its Use in Transmetalation","Organometallics","2004","23","25","5881","5884","10.1021/om0493098","","","","","","","","","","","","","","","","","","","","","has coordinates","209948","2020-10-21","18:00:00",""
"4060990","17.605","0.003","13.365","0.002","16.052","0.002","90","","115.776","0.002","90","","3401.1","0.9","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B Cl2 F4 N4 Rh -","- C34 H42 B Cl2 F4 N4 Rh -","- C136 H168 B4 Cl8 F16 N16 Rh4 -","4","1","","Wanniarachchi, Yoshitha A.; Khan, Masood A.; Slaughter, LeGrande M.","An Unusually Static, Sterically Hindered Silver Bis(N-heterocyclic carbene) Complex and Its Use in Transmetalation","Organometallics","2004","23","25","5881","5884","10.1021/om0493098","","","","","","","","","","","","","","","","","","","","","has coordinates","209948","2020-10-21","18:00:00",""
"4060991","10.879","0.0006","13.744","0.0008","28.7731","0.0017","90","","95.791","0.001","90","","4280.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N Ni P2 -","- C20 H37 N Ni P2 -","- C160 H296 N8 Ni8 P16 -","8","2","","Cámpora, Juan; Palma, Pilar; del Río, Diego; Conejo, M. Mar; Álvarez, Eleuterio","Synthesis and Reactivity of a Mononuclear Parent Amido Nickel Complex. Structures of Ni[C6H3-2,6-(CH2PiPr2)2](NH2) and Ni[C6H3-2,6-(CH2PiPr2)2](OMe)","Organometallics","2004","23","24","5653","5655","10.1021/om049312r","","","","","","","","","","","","","","","","","","","","","has coordinates","209939","2020-10-21","18:00:00",""
"4060992","11.009","0.0007","13.896","0.0009","29.403","0.002","90","","97.753","0.001","90","","4457","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Ni O P2 -","- C21 H38 Ni O P2 -","- C168 H304 Ni8 O8 P16 -","8","2","","Cámpora, Juan; Palma, Pilar; del Río, Diego; Conejo, M. Mar; Álvarez, Eleuterio","Synthesis and Reactivity of a Mononuclear Parent Amido Nickel Complex. Structures of Ni[C6H3-2,6-(CH2PiPr2)2](NH2) and Ni[C6H3-2,6-(CH2PiPr2)2](OMe)","Organometallics","2004","23","24","5653","5655","10.1021/om049312r","","","","","","","","","","","","","","","","","","","","","has coordinates","209939","2020-10-21","18:00:00",""
"4060993","18.398","0.004","21.875","0.005","20.254","0.005","90","","92.636","0.004","90","","8143","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H64 As P -","- C41.5 H64 As P -","- C332 H512 As8 P8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049340+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060994","13.674","0.002","14.796","0.002","16.422","0.002","90","","101.63","0.01","90","","3254.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 F12 N4 P2 Pd -","- C30 H28 F12 N4 P2 Pd -","- C120 H112 F48 N16 P8 Pd4 -","4","0.5","","Scarel, Alessandro; Milani, Barbara; Zangrando, Ennio; Stener, Mauro; Furlan, Sara; Fronzoni, Giovanna; Mestroni, Giovanni; Gladiali, Serafino; Carfagna, Carla; Mosca, Luca","Palladium Complexes with 3-Alkyl-Substituted-1,10-Phenanthrolines: Effect of the Remote Alkyl Substituent on the CO/Olefin Copolymerization Reactions","Organometallics","2004","23","23","5593","5605","10.1021/om0493412","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209932","2020-10-21","18:00:00",""
"4060995","8.168","0.002","15.14","0.002","15.606","0.002","90","","95.83","0.01","90","","1919.9","0.6","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C35 H38 F12 N4 O P2 Pd -","- C35 H35.2 F12 N4 O P2 Pd -","- C70 H70.4 F24 N8 O2 P4 Pd2 -","2","0.5","","Scarel, Alessandro; Milani, Barbara; Zangrando, Ennio; Stener, Mauro; Furlan, Sara; Fronzoni, Giovanna; Mestroni, Giovanni; Gladiali, Serafino; Carfagna, Carla; Mosca, Luca","Palladium Complexes with 3-Alkyl-Substituted-1,10-Phenanthrolines: Effect of the Remote Alkyl Substituent on the CO/Olefin Copolymerization Reactions","Organometallics","2004","23","23","5593","5605","10.1021/om0493412","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209932","2020-10-21","18:00:00",""
"4060996","15.829","0.002","17.574","0.003","29.319","0.004","90","","90","","90","","8156","2","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 Ga Zr0.5 -","- C41 H54 Ga Zr0.5 -","- C328 H432 Ga8 Zr4 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049343m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060997","9.1325","0.0007","12.739","0.0013","13.4839","0.0019","61.995","0.01","75.838","0.009","76.375","0.007","1329.5","0.3","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H35 F2 N P2 Pd -","- C24 H34 F2 N P2 Pd -","- C48 H68 F4 N2 P4 Pd2 -","2","1","","Ozerov, Oleg V.; Guo, Chengyun; Fan, Lei; Foxman, Bruce M.","Oxidative Addition of N‒C and N‒H Bonds to Zerovalent Nickel, Palladium, and Platinum","Organometallics","2004","23","23","5573","5580","10.1021/om0493513","","","","","","","","","","","","","","","","","","","","","has coordinates","209931","2020-10-21","18:00:00",""
"4060998","23.1562","0.0006","9.7532","0.0003","15.7956","0.0008","90","","132.842","0.003","90","","2615.7","0.2","294","","294","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H37 F2 N P2 Pd -","- C25 H37 F2 N P2 Pd -","- C100 H148 F8 N4 P8 Pd4 -","4","0.5","","Ozerov, Oleg V.; Guo, Chengyun; Fan, Lei; Foxman, Bruce M.","Oxidative Addition of N‒C and N‒H Bonds to Zerovalent Nickel, Palladium, and Platinum","Organometallics","2004","23","23","5573","5580","10.1021/om0493513","","","","","","","","","","","","","","","","","","","","","has coordinates","209931","2020-10-21","18:00:00",""
"4060999","11.2088","0.0001","37.2486","0.0003","11.5503","0.0001","90","","113.291","0.001","90","","4429.41","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H96 Cl2 O2 P4 Pt2 -","- C98 H96 Cl2 O2 P4 Pt2 -","- C196 H192 Cl4 O4 P8 Pt4 -","2","0.5","","Zheng, Qinglin; Hampel, Frank; Gladysz, J. A.","Longitudinally Extended Molecular Wires Based upon PtC⋮CC⋮CC⋮CC⋮C Repeat Units: Iterative Syntheses of Functionalized Linear PtC8Pt, PtC8PtC8Pt, and PtC8PtC8PtC8Pt Assemblies","Organometallics","2004","23","25","5896","5899","10.1021/om049353n","","","","","","","","","","","","","","","","","","","","","has coordinates","209949","2020-10-21","18:00:00",""
"4061000","26.5408","0.0004","22.3417","0.0005","23.4476","0.0005","90","","90","","90","","13903.6","0.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C148 H112 Cl8 F20 P8 Pt4 -","- C148 H112 Cl8 F20 P8 Pt4 -","- C592 H448 Cl32 F80 P32 Pt16 -","4","0.5","","Owen, Gareth R.; Hampel, Frank; Gladysz, J. A.","Syntheses and Structures of Tetraplatinum Bis(polyynediyl) Complexes with Laterally Arrayed sp Carbon Chains","Organometallics","2004","23","25","5893","5895","10.1021/om049354f","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061001","18.9198","0.0003","22.0175","0.0003","19.5265","0.0002","90","","101.281","0.0008","90","","7976.94","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H66 Cl6 F10 O P4 Pt2 -","- C79 H64 Cl6 F10 O P4 Pt2 -","- C316 H256 Cl24 F40 O4 P16 Pt8 -","4","1","","Owen, Gareth R.; Hampel, Frank; Gladysz, J. A.","Syntheses and Structures of Tetraplatinum Bis(polyynediyl) Complexes with Laterally Arrayed sp Carbon Chains","Organometallics","2004","23","25","5893","5895","10.1021/om049354f","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061002","13.4269","0.0002","14.8625","0.0003","14.9832","0.0002","104.423","0.0008","98.3223","0.0009","114.831","0.0008","2520.08","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C118 H116 F10 O4 P4 Pt2 -","- C118 H116 F10 O4 P4 Pt2 -","- C118 H116 F10 O4 P4 Pt2 -","1","0.5","","Owen, Gareth R.; Stahl, Jürgen; Hampel, Frank; Gladysz, J. A.","Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which the sp Carbon Chains Are Shielded by sp3 Carbon Chains","Organometallics","2004","23","25","5889","5892","10.1021/om0493558","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061003","12.5504","0.0002","12.5639","0.0002","15.6464","0.0002","73.2385","0.0008","73.6865","0.0009","65.1352","0.0009","2106.86","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H88 Cl4 F10 P4 Pt2 -","- C90 H88 Cl4 F10 P4 Pt2 -","- C90 H88 Cl4 F10 P4 Pt2 -","1","0.5","","Owen, Gareth R.; Stahl, Jürgen; Hampel, Frank; Gladysz, J. A.","Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which the sp Carbon Chains Are Shielded by sp3 Carbon Chains","Organometallics","2004","23","25","5889","5892","10.1021/om0493558","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061004","15.0284","0.0002","18.1876","0.0002","21.3651","0.0002","102.614","0.006","103.327","0.006","112.551","0.005","4932.71","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H116 Cl4 F10 P4 Pt2 -","- C103.998 H116 Cl4 F10 P4 Pt2 -","- C207.996 H232 Cl8 F20 P8 Pt4 -","2","1","","Owen, Gareth R.; Stahl, Jürgen; Hampel, Frank; Gladysz, J. A.","Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which the sp Carbon Chains Are Shielded by sp3 Carbon Chains","Organometallics","2004","23","25","5889","5892","10.1021/om0493558","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061005","42.6816","0.0007","9.1247","0.0002","22.0727","0.0003","90","","118.081","0.011","90","","7584.4","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H80 F10 P4 Pt2 -","- C86 H80 F10 P4 Pt2 -","- C344 H320 F40 P16 Pt8 -","4","0.5","","Owen, Gareth R.; Stahl, Jürgen; Hampel, Frank; Gladysz, J. A.","Syntheses and Structures of Diplatinum Hexatriynediyl Complexes, in Which the sp Carbon Chains Are Shielded by sp3 Carbon Chains","Organometallics","2004","23","25","5889","5892","10.1021/om0493558","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061006","12.629","0.004","17.581","0.007","9.089","0.004","90.36","0.04","93.3","0.04","110.3","0.03","1888","1","296.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 Cl4 F3 O3 Ru2 S3 -","- C28 H46 Cl4 F3 O3 Ru2 S3 -","- C56 H92 Cl8 F6 O6 Ru4 S6 -","2","1","","Onodera, Gen; Imajima, Hiroaki; Yamanashi, Masashi; Nishibayashi, Yoshiaki; Hidai, Masanobu; Uemura, Sakae","Ruthenium-Catalyzed Allylation of Aromatic Compounds and Allylic Ether Formation","Organometallics","2004","23","24","5841","5848","10.1021/om049358k","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4061007","8.6882","0.0005","19.1772","0.0009","22.1636","0.001","90","","90","","90","","3692.8","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Al N2 -","- C22 H21 Al N2 -","- C176 H168 Al8 N16 -","8","1","","Cortright, Sarah B.; Coalter, Joseph N.; Pink, Maren; Johnston, Jeffrey N.","A Remarkably Facile Zirconium(IV) → Aluminum(III) β-Diketiminate Transmetalation That Also Results in a More Active Olefin Polymerization Catalyst upon Activation","Organometallics","2004","23","25","5885","5888","10.1021/om049364g","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061008","35.495","0.007","8.7563","0.0016","15.913","0.003","90","","105.49","0.005","90","","4766.2","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 O3 Ru2 Si2 -","- C25 H24 O3 Ru2 Si2 -","- C200 H192 O24 Ru16 Si16 -","8","1","","Klein, David P.; Ellern, Arkady; Angelici, Robert J.","New Mechanism for the Intermolecular Hydroamination of Alkynes: Catalysis by Dinuclear Ruthenium Complexes with a Rigid Dicyclopentadienyl Ligand","Organometallics","2004","23","24","5662","5670","10.1021/om049377u","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061009","9.28","0.01","12.903","0.014","12.147","0.013","90","","108.389","0.017","90","","1380","3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H25 B F4 O3 Ru2 Si2 -","- C25 H25 B F4 O3 Ru2 Si2 -","- C50 H50 B2 F8 O6 Ru4 Si4 -","2","1","","Klein, David P.; Ellern, Arkady; Angelici, Robert J.","New Mechanism for the Intermolecular Hydroamination of Alkynes: Catalysis by Dinuclear Ruthenium Complexes with a Rigid Dicyclopentadienyl Ligand","Organometallics","2004","23","24","5662","5670","10.1021/om049377u","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061010","11.681","0.002","23.528","0.005","13.623","0.003","90","","90","0.03","90","","3744.3","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B10 -","- C16 H22 B10 -","- C128 H176 B80 -","8","2","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061011","9.2361","0.0004","10.1817","0.0005","12.5377","0.0006","86.305","0.001","74.172","0.001","69.233","0.001","1059.95","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 B10 Ru -","- C18 H32 B10 Ru -","- C36 H64 B20 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061012","7.2777","0.0007","21.082","0.002","15.3044","0.0015","90","","98.876","0.002","90","","2320","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H34 B10 Ru -","- C22 H34 B10 Ru -","- C88 H136 B40 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061013","10.219","0.002","11.867","0.002","20.697","0.004","90","","90","","90","","2509.8","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H32 B10 Ru -","- C24 H32 B10 Ru -","- C96 H128 B40 Ru4 -","4","0.5","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061014","9.1421","0.0005","17.6693","0.0009","11.2531","0.0006","90","","91.484","0.001","90","","1817.15","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H44 B10 P2 Ru -","- C36 H44 B10 P2 Ru -","- C72 H88 B20 P4 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061015","9.1673","0.0005","18.1414","0.0011","21.1693","0.0012","90","","95.09","0.001","90","","3506.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 B10 P2 Ru -","- C35 H42 B10 P2 Ru -","- C140 H168 B40 P8 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061016","11.3032","0.0005","31.324","0.0015","13.2866","0.0006","90","","96.927","0.001","90","","4669.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 B20 O P2 Ru -","- C40 H58 B20 O P2 Ru -","- C160 H232 B80 O4 P8 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061017","9.1418","0.001","9.5495","0.0011","14.1986","0.0017","105.908","0.002","91.42","0.002","102.019","0.002","1161.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 B10 N2 Ru -","- C20 H28 B10 N2 Ru -","- C40 H56 B20 N4 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands","Organometallics","2004","23","24","5864","5872","10.1021/om0493816","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061018","25.5779","0.0017","25.5779","0.0017","13.7775","0.0014","90","","90","","90","","9013.6","1.2","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H56 Cl24 N12 Si -","- C72 H48 Cl24 N12 Si -","- C288 H192 Cl96 N48 Si4 -","4","0.25","","Bai, Dong-Ren; Wang, Suning","Comparative Study on Tetrahedral and Tripodal Luminescent Silane and Methane Compounds with a 2,2'-Dipyridylamino Group","Organometallics","2004","23","25","5958","5966","10.1021/om049382y","","","","","","","","","","","","","","","","","","","","","has coordinates","209959","2020-10-21","18:00:00",""
"4061019","14.558","0.003","14.558","0.003","11.723","0.004","90","","90","","90","","2484.7","1.1","296","2","296","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C65 H48 N12 -","- C65 H48 N12 -","- C130 H96 N24 -","2","0.25","","Bai, Dong-Ren; Wang, Suning","Comparative Study on Tetrahedral and Tripodal Luminescent Silane and Methane Compounds with a 2,2'-Dipyridylamino Group","Organometallics","2004","23","25","5958","5966","10.1021/om049382y","","","","","","","","","","","","","","","","","","","","","has coordinates","209959","2020-10-21","18:00:00",""
"4061020","17.1994","0.0003","7.3604","0.0002","8.6468","0.0002","90","","117.019","0.001","90","","975.17","0.04","143","2","143","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H18 Cl4 Ga2 N2 -","- C14 H18 Cl4 Ga2 N2 -","- C28 H36 Cl8 Ga4 N4 -","2","0.25","","Nogai, Stefan D.; Schmidbaur, Hubert","Dehydrogenative Ga‒Ga Coupling and Hydrogallation in Gallium Hydride Complexes of 3,5-Dimethylpyridine","Organometallics","2004","23","24","5877","5880","10.1021/om049393r","","","","","","","","","","","","","","","","","","","","","has coordinates","209961","2020-10-21","18:00:00",""
"4061021","8.0226","0.0003","10.9023","0.0004","16.8366","0.0007","90","","100.895","0.002","90","","1446.07","0.1","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Ga N2 -","- C14 H21 Ga N2 -","- C56 H84 Ga4 N8 -","4","1","","Nogai, Stefan D.; Schmidbaur, Hubert","Dehydrogenative Ga‒Ga Coupling and Hydrogallation in Gallium Hydride Complexes of 3,5-Dimethylpyridine","Organometallics","2004","23","24","5877","5880","10.1021/om049393r","","","","","","","","","","","","","","","","","","","","","has coordinates","209961","2020-10-21","18:00:00",""
"4061022","10.944","0.002","13.612","0.003","14.781","0.003","85.535","0.004","84.145","0.004","84.52","0.004","2175.3","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 B Br Fe2 O2 -","- C22 H24 B Br Fe2 O2 -","- C88 H96 B4 Br4 Fe8 O8 -","4","2","","Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Seeler, Fabian","Preparation and Structural Characterization of Transition Metal Complexes Featuring the Ferrocenyl(bromo)boryl Ligand","Organometallics","2004","23","23","5545","5549","10.1021/om049395b","","","","","","","","","","","","","","","","","","","","","has coordinates","209916","2020-10-21","18:00:00",""
"4061023","8.4152","0.0007","8.8418","0.0008","11.7294","0.001","101.12","0.002","103.739","0.002","101.924","0.002","802.14","0.12","193","2","193","2","","","","","","","","6","P -1","-P 1","2","(bromoferrocenyl)boryl(Cyclopentadienyldicarbonyl)iron","","","- C17 H14 B Br Fe2 O2 -","- C17 H14 B Br Fe2 O2 -","- C34 H28 B2 Br2 Fe4 O4 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Seeler, Fabian","Preparation and Structural Characterization of Transition Metal Complexes Featuring the Ferrocenyl(bromo)boryl Ligand","Organometallics","2004","23","23","5545","5549","10.1021/om049395b","","","","","","","","","","","","","","","","","","","","","has coordinates","209916","2020-10-21","18:00:00",""
"4061024","10.2527","0.0007","23.6332","0.0015","19.256","0.0012","90","","91.735","0.001","90","","4663.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H75 B Br2 Fe P2 Pt -","- C46 H75 B Br2 Fe P2 Pt -","- C184 H300 B4 Br8 Fe4 P8 Pt4 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Seeler, Fabian","Preparation and Structural Characterization of Transition Metal Complexes Featuring the Ferrocenyl(bromo)boryl Ligand","Organometallics","2004","23","23","5545","5549","10.1021/om049395b","","","","","","","","","","","","","","","","","","","","","has coordinates","209916","2020-10-21","18:00:00",""
"4061025","11.6082","0.0009","12.2077","0.001","15.9446","0.0013","90","","92.715","0.002","90","","2257","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 B N7 O Ru -","- C20 H22 B N7 O Ru -","- C80 H88 B4 N28 O4 Ru4 -","4","1","","Lail, Marty; Bell, Christen M.; Conner, David M.; Cundari, Thomas R.; Gunnoe, T. Brent; Petersen, Jeffrey L.","Experimental and Computational Studies of Ru(II) Catalyzed Addition of Arene C-H Bonds to Olefins","Organometallics","2004","","","","","10.1021/om049404g","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061026","12.087","0.002","12.676","0.003","20.777","0.004","77.86","0.03","86.31","0.03","85.86","0.03","3100.2","1.1","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H34 K N P2 Si -","- C31.5 H34 K N P2 Si -","- C126 H136 K4 N4 P8 Si4 -","4","2","","Gamer, Michael T.; Roesky, Peter W.","Synthesis and Structure of Potassium and Samarium Phosphine(phosphinimino)methanides","Organometallics","2004","23","23","5540","5544","10.1021/om049409d","","","","","","","","","","","","","","","","","","","","","has coordinates","209928","2020-10-21","18:00:00",""
"4061027","22.4232","0.0008","14.88","0.0008","14.846","0.0016","90","","109.289","0.008","90","","4675.4","0.6","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H64 N P2 Si Sm -","- C51 H60 N P2 Si Sm -","- C204 H240 N4 P8 Si4 Sm4 -","4","1","","Gamer, Michael T.; Roesky, Peter W.","Synthesis and Structure of Potassium and Samarium Phosphine(phosphinimino)methanides","Organometallics","2004","23","23","5540","5544","10.1021/om049409d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209928","2020-10-21","18:00:00",""
"4061028","8.354","0.002","10.89","0.001","11.271","0.003","85.78","0.01","68.61","0.02","89.37","0.01","952","0.4","300.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 O8 Sb2 -","- C42 H42 O8 Sb2 -","- C42 H42 O8 Sb2 -","1","0.5","","Matano, Yoshihiro; Nomura, Hazumi; Hisanaga, Teppei; Nakano, Haruyuki; Shiro, Motoo; Imahori, Hiroshi","Diverse Structures and Remarkable Oxidizing Ability of Triarylbismuthane Oxides. Comparative Study on the Structure and Reactivity of a Series of Triarylpnictogen Oxides","Organometallics","2004","23","23","5471","5480","10.1021/om0494115","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061029","11.27","0.002","11.367","0.002","12.355","0.002","112.74","0.01","91.34","0.01","113.96","0.01","1303","0.4","223.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H56 Bi4 O6 -","- C56 H56 Bi4 O6 -","- C56 H56 Bi4 O6 -","1","0.5","","Matano, Yoshihiro; Nomura, Hazumi; Hisanaga, Teppei; Nakano, Haruyuki; Shiro, Motoo; Imahori, Hiroshi","Diverse Structures and Remarkable Oxidizing Ability of Triarylbismuthane Oxides. Comparative Study on the Structure and Reactivity of a Series of Triarylpnictogen Oxides","Organometallics","2004","23","23","5471","5480","10.1021/om0494115","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061030","9.7846","0.0004","17.6801","0.0008","21.5292","0.0009","90","","95.821","0.001","90","","3705.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H62 Fe N2 -","- C39 H62 Fe N2 -","- C156 H248 Fe4 N8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049415+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061031","12.4862","0.0012","17.4494","0.0016","13.9462","0.0013","90","","104.904","0.001","90","","2936.3","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Fe N2 -","- C30 H44 Fe N2 -","- C120 H176 Fe4 N8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049415+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061032","17.07","0.004","11.898","0.003","37.294","0.009","90","","97.958","0.002","90","","7501","3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H55 F3 Fe N2 -","- C40 H55 F3 Fe N2 -","- C320 H440 F24 Fe8 N16 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049415+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061033","10.6842","0.0007","14.31","0.0009","21.5466","0.0013","90","","98.143","0.001","90","","3261.1","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H50 Fe N2 -","- C37 H50 Fe N2 -","- C148 H200 Fe4 N8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049415+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061034","11.1605","0.0006","13.1731","0.0007","13.6412","0.0007","93.79","0.001","99.882","0.001","102.177","0.001","1920.37","0.18","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Fe N2 O -","- C42 H53 Fe N2 O -","- C84 H106 Fe2 N4 O2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049415+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061035","9.3051","0.0011","10.7974","0.0013","20.63","0.002","102.007","0.002","94.507","0.002","109.212","0.002","1890","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H51 Fe N3 -","- C37 H51 Fe N3 -","- C74 H102 Fe2 N6 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049415+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061036","28.5456","0.0016","13.5388","0.0008","15.4445","0.0009","90","","99.06","0.001","90","","5894.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H86 Fe2 N6 -","- C62 H86 Fe2 N6 -","- C248 H344 Fe8 N24 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049415+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061037","8.3802","0.0004","20.5784","0.0009","9.7226","0.0004","90","","102.714","0.001","90","","1635.56","0.13","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C35 H52 Fe N2 -","- C35 H52 Fe N2 -","- C70 H104 Fe2 N4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049415+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061038","18.664","0.001","12.693","0.001","20.651","0.001","90","","97.19","0.01","90","","4854","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H136 N4 O16 Pb6 Si8 -","- C76 H136 N4 O16 Pb6 Si8 -","- C152 H272 N8 O32 Pb12 Si16 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049417u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178499","2020-10-21","18:00:00",""
"4061039","11.4418","0.0016","9.7857","0.0012","15.1962","0.0019","90","","108.508","0.012","90","","1613.5","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Fe S Si -","- C17 H18 Fe S Si -","- C68 H72 Fe4 S4 Si4 -","4","1","","B. Alonzo, C. Castejon, E. Delgado, E. Hernandez; B. Donnadieu","Unexpected behavior of the novel organometallic thioether C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.","Organometallics","2004","","","","","10.1021/om049423q","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061040","11.8715","0.0009","12.502","0.0008","18.2701","0.0014","86.887","0.006","83.71","0.006","66.344","0.006","2468.6","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 Fe2 O9 Ru3 S2 Si2 -","- C43 H36 Fe2 O9 Ru3 S2 Si2 -","- C86 H72 Fe4 O18 Ru6 S4 Si4 -","2","1","","B. Alonzo, C. Castejon, E. Delgado, E. Hernandez; B. Donnadieu","Unexpected behavior of the novel organometallic thioether C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.","Organometallics","2004","","","","","10.1021/om049423q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061041","19.6865","0.0012","9.5647","0.0008","32.649","0.002","90","","93.505","0.008","90","","6136.2","0.8","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Fe2 O18 Ru6 S2 Si2 -","- C52 H36 Fe2 O18 Ru6 S2 Si2 -","- C208 H144 Fe8 O72 Ru24 S8 Si8 -","4","1","","B. Alonzo, C. Castejon, E. Delgado, E. Hernandez; B. Donnadieu","Unexpected behavior of the novel organometallic thioether C~5~H~5~FeC~5~H~6~C=CSC=CSiMe~3~ towards Ru~3~(CO)~12~.","Organometallics","2004","","","","","10.1021/om049423q","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061042","16.71","0.002","9.837","0.001","29.408","0.002","90","","92.08","0.003","90","","4830.8","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 K2 N3 -","- C54 H66 K2 N3 -","- C216 H264 K8 N12 -","4","1","","Antinolo, A.; Fernandez-Galan, R; Otero, A.; Prashar, S.; Rivilla, I.; Rodriguez, A.; Maestro, MA.","New Synthon in the Design of ansa-Cyclopentadienyl Ligands with Variable Substitution at the Bridging Atom","Organometallics","2004","","","","","10.1021/om049425a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178499","2020-10-21","18:00:00",""
"4061043","9.7472","0.0011","16.924","0.002","11.9315","0.0014","90","","100.747","0.002","90","","1933.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl2 Zr -","- C21 H22 Cl2 Zr -","- C84 H88 Cl8 Zr4 -","4","1","","Antinolo, A.; Fernandez-Galan, R; Otero, A.; Prashar, S.; Rivilla, I.; Rodriguez, A.; Maestro, MA.","New Synthon in the Design of ansa-Cyclopentadienyl Ligands with Variable Substitution at the Bridging Atom","Organometallics","2004","","","","","10.1021/om049425a","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061044","7.3661","0.0002","10.8162","0.0004","12.8858","0.0005","71.924","0.001","83.218","0.002","80.626","0.002","960.45","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Cl2 F12 N2 O2 Ti -","- C12 H14 Cl2 F12 N2 O2 Ti -","- C24 H28 Cl4 F24 N4 O4 Ti2 -","2","1","","Lavanant, Laurent; Chou, Tsung-Yi; Chi, Yun; Lehmann, Christian W.; Toupet, Loic; Carpentier, Jean-François","C2-Symmetric Fluorous Diamino-Dialkoxide Complexes of Early Transition Metals","Organometallics","2004","23","23","5450","5458","10.1021/om0494364","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061045","16.5131","0.0002","11.6381","0.0001","17.0637","0.0002","90","","117.97","","90","","2896.17","0.05","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 F12 N2 O2 Zr -","- C26 H28 F12 N2 O2 Zr -","- C104 H112 F48 N8 O8 Zr4 -","4","1","","Lavanant, Laurent; Chou, Tsung-Yi; Chi, Yun; Lehmann, Christian W.; Toupet, Loic; Carpentier, Jean-François","C2-Symmetric Fluorous Diamino-Dialkoxide Complexes of Early Transition Metals","Organometallics","2004","23","23","5450","5458","10.1021/om0494364","","","","","","","","","","","","","","","","","","","","","has coordinates","209922","2020-10-21","18:00:00",""
"4061046","10.2291","0.0002","16.7352","0.0004","16.8838","0.0004","90","","97.594","0.002","90","","2864.92","0.11","120","1","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H33 F12 N2 O3 Si Y -","- C19.92 H33 F12.035 N2 O3 Si Y -","- C79.68 H132 F48.14 N8 O12 Si4 Y4 -","4","1","","Lavanant, Laurent; Chou, Tsung-Yi; Chi, Yun; Lehmann, Christian W.; Toupet, Loic; Carpentier, Jean-François","C2-Symmetric Fluorous Diamino-Dialkoxide Complexes of Early Transition Metals","Organometallics","2004","23","23","5450","5458","10.1021/om0494364","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209922","2020-10-21","18:00:00",""
"4061047","14.1253","0.0009","10.7073","0.0007","17.442","0.001","90","","96.701","0.001","90","","2620","0.3","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26.5 H30 Cl3 N2 P Ru -","- C26.5 H30 Cl3 N2 P Ru -","- C106 H120 Cl12 N8 P4 Ru4 -","4","1","","Caballero, Agustín; Jalón, Félix A.; Manzano, Blanca R.; Espino, Gustavo; Pérez-Manrique, Mercedes; Mucientes, Antonio; Poblete, Francisco J.; Maestro, Miguel","Ruthenium Arene Derivatives with PN Hemilabile Ligands. P‒C Cleavage and Phosphine to Phosphinite Transformation","Organometallics","2004","23","24","5694","5706","10.1021/om049438o","","","","","","","","","","","","","","","","","","","","","has coordinates","209902","2020-10-21","18:00:00",""
"4061048","36.913","0.002","7.6915","0.0004","24.961","0.001","90","","127.409","0.001","90","","5629.2","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Cl6 N2 P Ru -","- C24 H25 Cl6 N2 P Ru -","- C192 H200 Cl48 N16 P8 Ru8 -","8","1","","Caballero, Agustín; Jalón, Félix A.; Manzano, Blanca R.; Espino, Gustavo; Pérez-Manrique, Mercedes; Mucientes, Antonio; Poblete, Francisco J.; Maestro, Miguel","Ruthenium Arene Derivatives with PN Hemilabile Ligands. P‒C Cleavage and Phosphine to Phosphinite Transformation","Organometallics","2004","23","24","5694","5706","10.1021/om049438o","","","","","","","","","","","","","","","","","","","","","has coordinates","209902","2020-10-21","18:00:00",""
"4061049","12.661","0.002","16.226","0.003","15.069","0.003","90","","92.015","0.003","90","","3093.9","0.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 B Cl4 F4 N2 P Ru -","- C27 H32 B Cl4 F4 N2 P Ru -","- C108 H128 B4 Cl16 F16 N8 P4 Ru4 -","4","1","","Caballero, Agustín; Jalón, Félix A.; Manzano, Blanca R.; Espino, Gustavo; Pérez-Manrique, Mercedes; Mucientes, Antonio; Poblete, Francisco J.; Maestro, Miguel","Ruthenium Arene Derivatives with PN Hemilabile Ligands. P‒C Cleavage and Phosphine to Phosphinite Transformation","Organometallics","2004","23","24","5694","5706","10.1021/om049438o","","","","","","","","","","","","","","","","","","","","","has coordinates","209902","2020-10-21","18:00:00",""
"4061050","10.18","0.006","13.035","0.007","17.884","0.01","90","","94.892","0.012","90","","2364","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 B Cl2 F4 N2 P Ru -","- C22 H22 B Cl2 F4 N2 P Ru -","- C88 H88 B4 Cl8 F16 N8 P4 Ru4 -","4","1","","Caballero, Agustín; Jalón, Félix A.; Manzano, Blanca R.; Espino, Gustavo; Pérez-Manrique, Mercedes; Mucientes, Antonio; Poblete, Francisco J.; Maestro, Miguel","Ruthenium Arene Derivatives with PN Hemilabile Ligands. P‒C Cleavage and Phosphine to Phosphinite Transformation","Organometallics","2004","23","24","5694","5706","10.1021/om049438o","","","","","","","","","","","","","","","","","","","","","has coordinates","209902","2020-10-21","18:00:00",""
"4061051","12.366","0.006","30.378","0.005","11.245","0.005","90","","93.51","0.03","90","","4216","2","203.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47 F6 P3 Ru -","- C48 H47 F6 P3 Ru -","- C192 H188 F24 P12 Ru4 -","4","1","","Onitsuka, Kiyotaka; Nishii, Masayoshi; Matsushima, Yuji; Takahashi, Shigetoshi","Unexpected Formation of the Vinyl‒Phosphonio Complex [CpRu(PPh3)(C6H4PPh2CHCH2)][PF6] from a Vinylidene Complex via Nucleophilic Addition and Ortho Metalation of Triphenylphosphine","Organometallics","2004","23","23","5630","5632","10.1021/om049440f","","","","","","","","","","","","","","","","","","","","","has coordinates","209935","2020-10-21","18:00:00",""
"4061052","10.899","0.005","12.53","0.005","11.467","0.005","90","","108.15","0.013","90","","1488.1","1","95","2","95","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(COD)Pd(Cl)(2-Me-norbornanyl)","","","- C16 H25 Cl Pd -","- C16 H25 Cl Pd -","- C64 H100 Cl4 Pd4 -","4","1","","Kang, Myeongsoon; Sen, Ayusman","Reaction of Palladium 1,5-Cyclooctadiene Alkyl Chloride with Norbornene Derivatives: Relevance to Metal-Catalyzed Addition Polymerization of Functionalized Norbornenes","Organometallics","2004","23","23","5396","5398","10.1021/om049449h","","","","","","","","","","","","","","","","","","","","","has coordinates","209829","2020-10-21","18:00:00",""
"4061053","8.0473","0.0017","10.216","0.002","12.347","0.003","105.751","0.003","90.578","0.004","109.872","0.004","912.9","0.3","95","2","95","2","","","","","","","","5","P -1","-P 1","2","(COD)Pd(Cl)(2-Me-5-endo-ethylester-norbornanyl)","","","- C19 H29 Cl O2 Pd -","- C19 H29 Cl O2 Pd -","- C38 H58 Cl2 O4 Pd2 -","2","1","","Kang, Myeongsoon; Sen, Ayusman","Reaction of Palladium 1,5-Cyclooctadiene Alkyl Chloride with Norbornene Derivatives: Relevance to Metal-Catalyzed Addition Polymerization of Functionalized Norbornenes","Organometallics","2004","23","23","5396","5398","10.1021/om049449h","","","","","","","","","","","","","","","","","","","","","has coordinates","209829","2020-10-21","18:00:00",""
"4061054","11.24","0.002","13.031","0.003","12.463","0.002","90","","92.048","0.004","90","","1824.3","0.6","96","2","96","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(COD)Pd(Cl)(2-Me-5-exo-ethylester-norbornanyl)","","","- C19 H29 Cl O2 Pd -","- C19 H29 Cl O2 Pd -","- C76 H116 Cl4 O8 Pd4 -","4","1","","Kang, Myeongsoon; Sen, Ayusman","Reaction of Palladium 1,5-Cyclooctadiene Alkyl Chloride with Norbornene Derivatives: Relevance to Metal-Catalyzed Addition Polymerization of Functionalized Norbornenes","Organometallics","2004","23","23","5396","5398","10.1021/om049449h","","","","","","","","","","","","","","","","","","","","","has coordinates","209829","2020-10-21","18:00:00",""
"4061055","6.8659","0.0017","23.248","0.006","11.502","0.003","90","","96.614","0.004","90","","1823.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(COD)Pd(Cl)(2-Me-5-endo-methylacetate-norbornanyl)","","","- C19 H29 Cl O2 Pd -","- C19 H29 Cl O2 Pd -","- C76 H116 Cl4 O8 Pd4 -","4","1","","Kang, Myeongsoon; Sen, Ayusman","Reaction of Palladium 1,5-Cyclooctadiene Alkyl Chloride with Norbornene Derivatives: Relevance to Metal-Catalyzed Addition Polymerization of Functionalized Norbornenes","Organometallics","2004","23","23","5396","5398","10.1021/om049449h","","","","","","","","","","","","","","","","","","","","","has coordinates","209829","2020-10-21","18:00:00",""
"4061056","14.133","0.004","22.108","0.006","29.505","0.008","90","","99.7","0.03","90","","9087","4","155.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C90 H92 F12 N2 O2 P8 Pt3 -","- C90 H80 F12 N2 O2 P8 Pt3 -","- C360 H320 F48 N8 O8 P32 Pt12 -","4","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061057","15.167","0.004","13.976","0.003","21.634","0.003","90","","108.01","0.01","90","","4361","1","155.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C80.5 H81 Cl5 F12 N2 P8 Pt3 -","- C80.5 H76 Cl5 F12 N2 P8 Pt3 -","- C161 H152 Cl10 F24 N4 P16 Pt6 -","2","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061058","13.543","0.006","13.921","0.005","11.255","0.004","100.33","0.03","110.71","0.04","101.94","0.03","1866","1","155.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H76 F12 N2 P8 Pt3 -","- C74 H76 F12 N2 P8 Pt3 -","- C74 H76 F12 N2 P8 Pt3 -","1","0.5","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061059","16.42","0.003","14.653","0.004","38.26","0.01","90","","96.96","0.02","90","","9137","3","155.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C89 H92 I2 N2 O2 P6 Pt3 -","- C89 H92 I2 N2 O2 P6 Pt3 -","- C356 H368 I8 N8 O8 P24 Pt12 -","4","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061060","25.529","0.005","15.742","0.003","21.491","0.004","90","","90","","90","","8636","2","155.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C90 H82 N8 P6 Pt4 -","- C90 H82 N8 P6 Pt4 -","- C360 H328 N32 P24 Pt16 -","4","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061061","23.511","0.003","17.137","0.002","25.919","0.004","90","","111.174","0.006","90","","9738","2","153.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H76 Cl6 F12 N2 P8 Pt3 -","- C79 H42 Cl6 F12 N2 P8 Pt3 -","- C316 H168 Cl24 F48 N8 P32 Pt12 -","4","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061062","14.472","0.002","19.286","0.002","19.696","0.002","95.347","0.003","95.716","0.004","100.407","0.006","5345.1","0.9","153.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C87 H87 Cl10 F18 N2 P9 Pt3 -","- C87 H77 Cl10 F18 N2 P9 Pt3 -","- C174 H154 Cl20 F36 N4 P18 Pt6 -","2","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061063","12.873","0.004","29.35","0.006","14.826","0.004","90","","110.49","0.03","90","","5246","2","157.2","","157.2","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C83 H84 B4 Cl2 F16 N4 O5 P6 Pt3 -","- C83 H76 B4 Cl2 F16 N4 O5 P6 Pt3 -","- C166 H152 B8 Cl4 F32 N8 O10 P12 Pt6 -","2","0.5","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061064","13.872","0.004","53.16","0.01","15.13","0.004","90","","97.9","0.02","90","","11050","4","155.2","","155.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H82 F12 N10 O P8 Pt3 -","- C97 H76 F12 N10 O P8 Pt3 -","- C388 H304 F48 N40 O4 P32 Pt12 -","4","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061065","14.942","0.003","9.6865","0.0019","16.344","0.003","90","","114.46","0.03","90","","2153.2","0.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H55 Cl N2 O P2 Ru -","- C46 H48 Cl N2 O P2 Ru -","- C92 H96 Cl2 N4 O2 P4 Ru2 -","2","1","","Guo, Rongwei; Lough, Alan J.; Morris, Robert H.; Song, Datong","Asymmetric Hydrogenation of Ketones Catalyzed by Ruthenium Hydride Complexes of a Beta-aminophosphine Ligand Derived from Norephedrine","Organometallics","2004","23","23","5524","5529","10.1021/om049460h","","","","","","","","","","","","","","","","","","","","","has coordinates","209927","2020-10-21","18:00:00",""
"4061066","15.109","0.0002","18.867","0.0001","21.786","0.0002","90","","90","","90","","6210.35","0.11","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73.5 H67 Cl N P3 Ru -","- C73.5 H67 Cl N P3 Ru -","- C294 H268 Cl4 N4 P12 Ru4 -","4","1","","Guo, Rongwei; Lough, Alan J.; Morris, Robert H.; Song, Datong","Asymmetric Hydrogenation of Ketones Catalyzed by Ruthenium Hydride Complexes of a Beta-aminophosphine Ligand Derived from Norephedrine","Organometallics","2004","23","23","5524","5529","10.1021/om049460h","","","","","","","","","","","","","","","","","","","","","has coordinates","209927","2020-10-21","18:00:00",""
"4061067","17.667","0.004","11.113","0.002","33.147","0.007","90","","90.35","0.03","90","","6508","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H70 Cl0.8 N0.8 O0.8 P2.4 Ru0.8 -","- C62.8 H51.2 Cl0.8 N0.8 P2.4 Ru0.8 -","- C314 H256 Cl4 N4 P12 Ru4 -","5","2.5","","Guo, Rongwei; Lough, Alan J.; Morris, Robert H.; Song, Datong","Asymmetric Hydrogenation of Ketones Catalyzed by Ruthenium Hydride Complexes of a Beta-aminophosphine Ligand Derived from Norephedrine","Organometallics","2004","23","23","5524","5529","10.1021/om049460h","","","","","","","","","","","","","","","","","","","","","has coordinates","209927","2020-10-21","18:00:00",""
"4061068","10.7708","0.0004","11.0259","0.0005","11.2497","0.0007","85.299","0.005","80.929","0.005","65.83","0.005","1203.4","0.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H46 Cl4 Cr2 N2 O6 Ru2 -","- C48.5 H44 Cl4 Cr2 N2 O6 Ru2 -","- C48.5 H44 Cl4 Cr2 N2 O6 Ru2 -","1","0.5","","Djukic, Jean-Pierre; Berger, Alexsandro; Duquenne, Manon; Pfeffer, Michel; de Cian, André; Kyritsakas-Gruber, Nathalie; Vachon, Jérôme; Lacour, Jérôme","Syntheses of Nonracemic Ortho-Mercurated and Ortho-Ruthenated Complexes of 2-[Tricarbonyl(η6-phenyl)chromium]pyridine","Organometallics","2004","23","24","5757","5767","10.1021/om0494667","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061069","16.5286","0.0002","7.8387","0.0002","15.0003","0.0004","90","","111.215","0.005","90","","1811.77","0.07","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl N Ru -","- C21 H22 Cl N Ru -","- C84 H88 Cl4 N4 Ru4 -","4","1","","Djukic, Jean-Pierre; Berger, Alexsandro; Duquenne, Manon; Pfeffer, Michel; de Cian, André; Kyritsakas-Gruber, Nathalie; Vachon, Jérôme; Lacour, Jérôme","Syntheses of Nonracemic Ortho-Mercurated and Ortho-Ruthenated Complexes of 2-[Tricarbonyl(η6-phenyl)chromium]pyridine","Organometallics","2004","23","24","5757","5767","10.1021/om0494667","","","","","","","","","","","","","","","","","","","","","has coordinates","209943","2020-10-21","18:00:00",""
"4061070","9.3773","0.0002","11.4892","0.0002","11.7871","0.0003","92.349","0.005","94.701","0.005","96.02","0.005","1257.09","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl5 Hg N Ru -","- C22 H24 Cl5 Hg N Ru -","- C44 H48 Cl10 Hg2 N2 Ru2 -","2","1","","Djukic, Jean-Pierre; Berger, Alexsandro; Duquenne, Manon; Pfeffer, Michel; de Cian, André; Kyritsakas-Gruber, Nathalie; Vachon, Jérôme; Lacour, Jérôme","Syntheses of Nonracemic Ortho-Mercurated and Ortho-Ruthenated Complexes of 2-[Tricarbonyl(η6-phenyl)chromium]pyridine","Organometallics","2004","23","24","5757","5767","10.1021/om0494667","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061071","6.8552","0.0001","12.8758","0.0002","24.8345","0.0005","90","","90","","90","","2192.05","0.06","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl Cr N O3 Ru -","- C22 H26 Cl Cr N O3 Ru -","- C88 H104 Cl4 Cr4 N4 O12 Ru4 -","4","1","","Djukic, Jean-Pierre; Berger, Alexsandro; Duquenne, Manon; Pfeffer, Michel; de Cian, André; Kyritsakas-Gruber, Nathalie; Vachon, Jérôme; Lacour, Jérôme","Syntheses of Nonracemic Ortho-Mercurated and Ortho-Ruthenated Complexes of 2-[Tricarbonyl(η6-phenyl)chromium]pyridine","Organometallics","2004","23","24","5757","5767","10.1021/om0494667","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061072","10.5002","0.0002","11.8848","0.0002","13.7371","0.0002","78.926","0.005","67.892","0.005","71.869","0.005","1503.9","0.04","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H29 Cl6 Cr Hg N O3 Ru -","- C24 H29 Cl6 Cr Hg N O3 Ru -","- C48 H58 Cl12 Cr2 Hg2 N2 O6 Ru2 -","2","1","","Djukic, Jean-Pierre; Berger, Alexsandro; Duquenne, Manon; Pfeffer, Michel; de Cian, André; Kyritsakas-Gruber, Nathalie; Vachon, Jérôme; Lacour, Jérôme","Syntheses of Nonracemic Ortho-Mercurated and Ortho-Ruthenated Complexes of 2-[Tricarbonyl(η6-phenyl)chromium]pyridine","Organometallics","2004","23","24","5757","5767","10.1021/om0494667","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061073","7.4678","0.0003","7.4018","0.0004","13.1418","0.0005","90","","98.381","0.005","90","","718.66","0.06","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H8 Cl Cr Hg N O3 -","- C14 H8 Cl Cr Hg N O3 -","- C28 H16 Cl2 Cr2 Hg2 N2 O6 -","2","1","","Djukic, Jean-Pierre; Berger, Alexsandro; Duquenne, Manon; Pfeffer, Michel; de Cian, André; Kyritsakas-Gruber, Nathalie; Vachon, Jérôme; Lacour, Jérôme","Syntheses of Nonracemic Ortho-Mercurated and Ortho-Ruthenated Complexes of 2-[Tricarbonyl(η6-phenyl)chromium]pyridine","Organometallics","2004","23","24","5757","5767","10.1021/om0494667","","","","","","","","","","","","","","","","","","","","","has coordinates","209943","2020-10-21","18:00:00",""
"4061074","17.034","0.005","16.684","0.005","20.545","0.006","90","","94.161","0.005","90","","5823","3","206","2","206","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C58 H80 K2 N4 O9 Th -","- C58 H80 K2 N4 O9 Th -","- C232 H320 K8 N16 O36 Th4 -","4","1","","Korobkov, Ilia; Gambarotta, Sandro","Cis Double Addition of CO2 to a Coordinated Arene of a Thorium Complex","Organometallics","2004","23","23","5379","5381","10.1021/om049470i","","","","","","","","","","","","","","","","","","","","","has coordinates","209917","2020-10-21","18:00:00",""
"4061075","14.0735","0.0005","14.9304","0.0008","17.1191","0.0006","90","","90","","90","","3597.1","0.3","296.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Cl F3 O4 Ru2 S4 -","- C33 H40 Cl F3 O3 Ru2 S3 -","- C132 H160 Cl4 F12 O12 Ru8 S12 -","4","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061076","12.8545","0.0007","9.4609","0.0006","16.096","0.001","90","","102.984","0.0007","90","","1907.4","0.2","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Cl4 Ru2 S2 -","- C34 H44 Cl6 Ru2 S2 -","- C68 H88 Cl12 Ru4 S4 -","2","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061077","8.6848","0.0006","15.534","0.002","9.3758","0.0009","90","","104.324","0.003","90","","1225.6","0.2","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 Cl2 Ru2 Se2 -","- C22 H36 Cl2 Ru2 Se2 -","- C44 H72 Cl4 Ru4 Se4 -","2","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061078","9.1671","0.0005","17.177","0.001","9.2018","0.0008","90","","69.746","0.003","90","","1359.3","0.2","296.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl2 Ru2 Se2 -","- C24 H40 Cl2 Ru2 Se2 -","- C48 H80 Cl4 Ru4 Se4 -","2","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061079","9.3081","0.0004","17.561","0.001","18.0992","0.0007","90","","90","","90","","2958.5","0.2","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl2 Ru2 Se2 -","- C26 H44 Cl2 Ru2 Se2 -","- C104 H176 Cl8 Ru8 Se8 -","4","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061080","9.2473","0.0006","13.406","0.002","15.969","0.001","90","","102.102","0.002","90","","1935.8","0.2","296.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Ru2 Se2 -","- C32 H40 Cl2 Ru2 Se2 -","- C64 H80 Cl4 Ru4 Se4 -","2","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061081","8.7458","0.0004","12.3815","0.0007","16.1376","0.0007","75.974","0.003","76.543","0.003","78.15","0.002","1628.2","0.1","296.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C25 H42 Cl F3 O4 Ru2 S Se2 -","- C25 H40 Cl F3 O4 Ru2 S Se2 -","- C50 H80 Cl2 F6 O8 Ru4 S2 Se4 -","2","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061082","21.156","0.001","8.7281","0.0004","18.2543","0.0009","90","","121.893","0.001","90","","2861.9","0.2","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Cl2 Ru2 Se2 -","- C26 H44 Cl2 Ru2 Se2 -","- C104 H176 Cl8 Ru8 Se8 -","4","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061083","15.87","0.001","16.458","0.002","13.2138","0.0009","90","","94.238","0.003","90","","3441.7","0.4","296.1","","","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C27 H46 Cl F3 O4 Ru2 S Se2 -","- C27 H44 Cl F3 O4 Ru2 S Se2 -","- C108 H176 Cl4 F12 O16 Ru8 S4 Se8 -","4","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061084","21.0141","0.0008","8.7833","0.0005","17.6289","0.0006","90","","122.12","0.003","90","","2755.8","0.2","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Cl2 Ru2 Te2 -","- C24 H40 Cl2 Ru2 Te2 -","- C96 H160 Cl8 Ru8 Te8 -","4","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061085","8.3147","0.0014","9.7962","0.0018","13.937","0.003","83.34","0.02","82.82","0.02","83.407","0.018","1112.9","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H68 N6 Si2 Zr2 -","- C40 H68 N6 Si2 Zr2 -","- C40 H68 N6 Si2 Zr2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049481b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061086","10.3373","0.0008","14.2816","0.0017","16.949","0.003","114.06","0.013","92.889","0.011","99.02","0.01","2238.4","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H33 F3 N5 O10.5 Re2 S -","- C39.5 H33 F3 N5 O10.5 Re2 S -","- C79 H66 F6 N10 O21 Re4 S2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0494869","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061087","13.432","0.003","10.439","0.002","11.186","0.002","90","","90","","90","","1568.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C32 H58 Li2 N4 -","- C32 H58 Li2 N4 -","- C64 H116 Li4 N8 -","2","0.5","","Strohmann, Carsten; Strohfeldt, Katja; Schildbach, Daniel; McGrath, Matthew J.; O'Brien, Peter","Crystal Structures of (+)-Sparteine Surrogate Adducts of Methyllithium and Phenyllithium","Organometallics","2004","23","23","5389","5391","10.1021/om0494871","","","","","","","","","","","","","","","","","","","","","has coordinates","209918","2020-10-21","18:00:00",""
"4061088","10.071","0.003","13.909","0.007","9.755","0.003","90","","90","","90","","1366.5","0.9","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H50 Li2 N4 -","- C26 H50 Li2 N4 -","- C52 H100 Li4 N8 -","2","0.5","","Strohmann, Carsten; Strohfeldt, Katja; Schildbach, Daniel; McGrath, Matthew J.; O'Brien, Peter","Crystal Structures of (+)-Sparteine Surrogate Adducts of Methyllithium and Phenyllithium","Organometallics","2004","23","23","5389","5391","10.1021/om0494871","","","","","","","","","","","","","","","","","","","","","has coordinates","209918","2020-10-21","18:00:00",""
"4061089","12.6284","0.0015","9.8217","0.0012","17.538","0.002","90","","99.331","0.002","90","","2146.5","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H64 Li4 N4 -","- C48 H64 Li4 N4 -","- C96 H128 Li8 N8 -","2","1","","Strohmann, Carsten; Strohfeldt, Katja; Schildbach, Daniel; McGrath, Matthew J.; O'Brien, Peter","Crystal Structures of (+)-Sparteine Surrogate Adducts of Methyllithium and Phenyllithium","Organometallics","2004","23","23","5389","5391","10.1021/om0494871","","","","","","","","","","","","","","","","","","","","","has coordinates","209918","2020-10-21","18:00:00",""
"4061090","9.059","0.005","9.743","0.005","17.635","0.005","83.292","0.005","79.672","0.005","70.255","0.005","1438.6","1.2","180","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 B F3 N V -","- C36 H29 B F3 N V -","- C72 H58 B2 F6 N2 V2 -","2","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Donnadieu, Bruno","Mono and Homobimetallic Vanadium Complexes: Borane Adducts of Vanada(IV)azirine Complexes","Organometallics","2004","23","23","5488","5492","10.1021/om049488t","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061091","9.168","0.005","11.104","0.005","24.741","0.005","90","0.005","95.704","0.005","90","0.005","2506.2","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 B Cl3 F3 N V -","- C25 H22 B Cl3 F2.97 N V -","- C100 H88 B4 Cl12 F11.88 N4 V4 -","4","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Donnadieu, Bruno","Mono and Homobimetallic Vanadium Complexes: Borane Adducts of Vanada(IV)azirine Complexes","Organometallics","2004","23","23","5488","5492","10.1021/om049488t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4061092","8.897","0.005","12.017","0.005","13.367","0.005","65.416","0.005","71.51","0.005","83.317","0.005","1232.3","1","180","2","180","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H4 B F18 N -","- C26 H4 B F18 N -","- C52 H8 B2 F36 N2 -","2","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Donnadieu, Bruno","Mono and Homobimetallic Vanadium Complexes: Borane Adducts of Vanada(IV)azirine Complexes","Organometallics","2004","23","23","5488","5492","10.1021/om049488t","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061093","11.6741","0.0012","13.8023","0.0013","19.202","0.002","71.067","0.011","86.025","0.013","71.755","0.011","2777.7","0.6","180","2","180","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H20 B2 F30 N2 V -","- C56 H20 B2 F30 N2 V -","- C112 H40 B4 F60 N4 V2 -","2","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Donnadieu, Bruno","Mono and Homobimetallic Vanadium Complexes: Borane Adducts of Vanada(IV)azirine Complexes","Organometallics","2004","23","23","5488","5492","10.1021/om049488t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061094","10.17","0.005","17.885","0.005","34.917","0.005","90","0.005","97.893","0.005","90","0.005","6291","4","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H36 B2 F30 N2 V2 -","- C69 H36 B2 F30 N2 V2 -","- C276 H144 B8 F120 N8 V8 -","4","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Donnadieu, Bruno","Mono and Homobimetallic Vanadium Complexes: Borane Adducts of Vanada(IV)azirine Complexes","Organometallics","2004","23","23","5488","5492","10.1021/om049488t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4061095","19.502","0.004","10.866","0.002","19.177","0.004","90","","92.11","0.03","90","","4061.2","1.4","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H2 B F15 N2 -","- C21 H2 B F15 N2 -","- C168 H16 B8 F120 N16 -","8","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Donnadieu, Bruno","Mono and Homobimetallic Vanadium Complexes: Borane Adducts of Vanada(IV)azirine Complexes","Organometallics","2004","23","23","5488","5492","10.1021/om049488t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061096","14.431","0.002","32.146","0.006","12.421","0.002","90","","125.52","0.01","90","","4690.1","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 F6 Ir N4 P -","- C50 H60 F6 Ir N4 P -","- C200 H240 F24 Ir4 N16 P4 -","4","0.5","","Neve, Francesco; La Deda, Massimo; Crispini, Alessandra; Bellusci, Anna; Puntoriero, Fausto; Campagna, Sebastiano","Cationic Cyclometalated Iridium Luminophores: Photophysical, Redox, and Structural Characterization","Organometallics","2004","23","24","5856","5863","10.1021/om049493x","","","","","","","","","","","","","","","","","","","","","has coordinates","209946","2020-10-21","18:00:00",""
"4061097","13.037","0.002","23.864","0.004","7.3899","0.0011","90","","105.856","0.002","90","","2211.7","0.6","396","2","396","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H29 Cl N6 O2 P2 Ru -","- C17 H29 Cl N6 O2 P2 Ru -","- C68 H116 Cl4 N24 O8 P8 Ru4 -","4","1","","Frost, B.J.","","Organometallics","2004","","","","","10.1021/om049501+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061098","16.3954","0.0016","6.4753","0.0006","19.8608","0.0019","90","","113.122","0.002","90","","1939.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 N6 P2 Ru -","- C17 H30 N6 P2 Ru -","- C68 H120 N24 P8 Ru4 -","4","1","","Frost, B.J.","","Organometallics","2004","","","","","10.1021/om049501+","","","","","","","","","","","","","","","","","","","","","has coordinates","178499","2020-10-21","18:00:00",""
"4061099","18.865","0.003","15.809","0.001","6.101","0.0004","90","","90","","90","","1820","1","173.2","","173.2","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C19 H31 P -","- C19 H31 P -","- C76 H124 P4 -","4","0.5","","Tsang, Chi-Wing; Rohrick, Crystal A.; Saini, Tejindra S.; Patrick, Brian O.; Gates, Derek P.","Destiny of Transient Phosphenium Ions Generated from the Addition of Electrophiles to Phosphaalkenes: Intramolecular C‒H Activation, Donor‒Acceptor Formation, and Linear Oligomerization","Organometallics","2004","23","25","5913","5923","10.1021/om0495022","","","","","","","","","","","","","","","","","","","","","has coordinates","209966","2020-10-21","18:00:00",""
"4061100","10.0454","0.0006","11.024","0.0007","11.141","0.0009","94.935","0.004","112.222","0.003","94.093","0.002","1130.64","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 Cl3 Ga P -","- C19 H30.315 Cl3 Ga P -","- C38 H60.63 Cl6 Ga2 P2 -","2","1","","Tsang, Chi-Wing; Rohrick, Crystal A.; Saini, Tejindra S.; Patrick, Brian O.; Gates, Derek P.","Destiny of Transient Phosphenium Ions Generated from the Addition of Electrophiles to Phosphaalkenes: Intramolecular C‒H Activation, Donor‒Acceptor Formation, and Linear Oligomerization","Organometallics","2004","23","25","5913","5923","10.1021/om0495022","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209966","2020-10-21","18:00:00",""
"4061101","15.5153","0.0011","9.5822","0.0005","15.1428","0.001","90","","92.118","0.004","90","","2249.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 F3 O3 P S -","- C20 H32 F3 O3 P S -","- C80 H128 F12 O12 P4 S4 -","4","1","","Tsang, Chi-Wing; Rohrick, Crystal A.; Saini, Tejindra S.; Patrick, Brian O.; Gates, Derek P.","Destiny of Transient Phosphenium Ions Generated from the Addition of Electrophiles to Phosphaalkenes: Intramolecular C‒H Activation, Donor‒Acceptor Formation, and Linear Oligomerization","Organometallics","2004","23","25","5913","5923","10.1021/om0495022","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209966","2020-10-21","18:00:00",""
"4061102","9.8363","0.0004","11.1839","0.0005","18.975","0.0008","87.698","0.006","81.603","0.005","85.666","0.005","2058.23","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H62 Cl3 Ga P2 -","- C38 H62 Cl3 Ga P2 -","- C76 H124 Cl6 Ga2 P4 -","2","1","","Tsang, Chi-Wing; Rohrick, Crystal A.; Saini, Tejindra S.; Patrick, Brian O.; Gates, Derek P.","Destiny of Transient Phosphenium Ions Generated from the Addition of Electrophiles to Phosphaalkenes: Intramolecular C‒H Activation, Donor‒Acceptor Formation, and Linear Oligomerization","Organometallics","2004","23","25","5913","5923","10.1021/om0495022","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209966","2020-10-21","18:00:00",""
"4061103","9.882","0.001","10.263","0.002","12.204","0.002","108.054","0.005","94.76","0.003","103.022","0.004","1130.8","0.2","173.2","","173.2","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Cl3 Ga P -","- C22 H21 Cl3 Ga P -","- C44 H42 Cl6 Ga2 P2 -","2","1","","Tsang, Chi-Wing; Rohrick, Crystal A.; Saini, Tejindra S.; Patrick, Brian O.; Gates, Derek P.","Destiny of Transient Phosphenium Ions Generated from the Addition of Electrophiles to Phosphaalkenes: Intramolecular C‒H Activation, Donor‒Acceptor Formation, and Linear Oligomerization","Organometallics","2004","23","25","5913","5923","10.1021/om0495022","","","","","","","","","","","","","","","","","","","","","has coordinates","209966","2020-10-21","18:00:00",""
"4061104","34.885","0.003","13.6771","0.0015","35.108","0.003","90","","117.326","0.009","90","","14882","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.7 H30 Cl3 N3 O0.3 P Ru -","- C34.7 H30 Cl3 N3 O0.3 P Ru -","- C555.2 H480 Cl48 N48 O4.8 P16 Ru16 -","16","2","","Gagliardo, Marcella; Dijkstra, Harm P.; Coppo, Paolo; De Cola, Luisa; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Synthesis, Crystal Structure, and Redox and Photophysical Properties of Novel Bisphosphinoaryl Ru^II^-Terpyridine Complexes","Organometallics","2004","23","24","5833","5840","10.1021/om049503u","","","","","","","","","","","","","","","","","","","","","has coordinates","209944","2020-10-21","18:00:00",""
"4061105","10.1323","0.0001","11.2911","0.0002","20.5214","0.0003","83.4955","0.0006","84.9604","0.0006","88.715","0.0005","2323.43","0.06","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 F3 N3 O3 P2 Ru S -","- C48 H38 F3 N3 O3 P2 Ru S -","- C96 H76 F6 N6 O6 P4 Ru2 S2 -","2","1","","Gagliardo, Marcella; Dijkstra, Harm P.; Coppo, Paolo; De Cola, Luisa; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","Synthesis, Crystal Structure, and Redox and Photophysical Properties of Novel Bisphosphinoaryl Ru^II^-Terpyridine Complexes","Organometallics","2004","23","24","5833","5840","10.1021/om049503u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061106","9.892","0.002","21.841","0.003","11.99","0.002","90","","119.715","0.003","90","","2249.8","0.6","193.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H59 B Ir2 S2 -","- C53 H59 B Ir2 S2 -","- C106 H118 B2 Ir4 S4 -","2","1","","Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu","Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)","Organometallics","2004","23","22","5347","5352","10.1021/om0495067","","","","","","","","","","","","","","","","","","","","","has coordinates","209970","2020-10-21","18:00:00",""
"4061107","11.9872","0.0005","28.281","0.001","13.9403","0.0007","90","","94.231","0.003","90","","4713","0.4","193.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C53 H61 B Ir2 S2 -","- C53 H61 B Ir2 S2 -","- C212 H244 B4 Ir8 S8 -","4","1","","Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu","Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)","Organometallics","2004","23","22","5347","5352","10.1021/om0495067","","","","","","","","","","","","","","","","","","","","","has coordinates","209970","2020-10-21","18:00:00",""
"4061108","11.608","0.002","11.874","0.002","17.974","0.003","95.436","0.003","99.04","0.004","104.671","0.004","2343.2","0.8","193.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H58 B Cl Ir2 S2 -","- C53 H58 B Cl Ir2 S2 -","- C106 H116 B2 Cl2 Ir4 S4 -","2","1","","Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu","Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)","Organometallics","2004","23","22","5347","5352","10.1021/om0495067","","","","","","","","","","","","","","","","","","","","","has coordinates","209970","2020-10-21","18:00:00",""
"4061109","9.889","0.002","21.831","0.003","11.133","0.002","90","","110.894","0.003","90","","2245.5","0.6","193.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H59 B Rh2 S2 -","- C53 H59 B Rh2 S2 -","- C106 H118 B2 Rh4 S4 -","2","1","","Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu","Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)","Organometallics","2004","23","22","5347","5352","10.1021/om0495067","","","","","","","","","","","","","","","","","","","","","has coordinates","209970","2020-10-21","18:00:00",""
"4061110","11.626","0.002","11.859","0.002","17.956","0.004","95.29","0.003","99.075","0.004","104.518","0.004","2343.9","0.8","193.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H58 B Cl Rh2 S2 -","- C53 H58 B Cl Rh2 S2 -","- C106 H116 B2 Cl2 Rh4 S4 -","2","1","","Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu","Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)","Organometallics","2004","23","22","5347","5352","10.1021/om0495067","","","","","","","","","","","","","","","","","","","","","has coordinates","209970","2020-10-21","18:00:00",""
"4061111","10.5469","0.0009","12.1519","0.0011","15.5119","0.0013","90","","104.698","0.002","90","","1923","0.3","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 B N7 O Ru S -","- C16 H16 B N7 O Ru S -","- C64 H64 B4 N28 O4 Ru4 S4 -","4","1","","Pittard, Karl A.; Lee, John P.; Cundari, Thomas R.; Gunnoe, T. Brent; Petersen, Jeffrey L.","Reactions of TpRu(CO)(NCMe)(Me) (Tp = Hydridotris(pyrazolyl)borate) with Heteroaromatic Substrates: Stoichiometric and Catalytic C‒H Activation","Organometallics","2004","23","23","5514","5523","10.1021/om049508r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209877","2020-10-21","18:00:00",""
"4061112","8.9108","0.0014","9.7896","0.0015","10.1999","0.0017","73.405","0.003","77.475","0.003","78.396","0.003","823.1","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 B N6 O Ru S -","- C14 H13 B N6 O Ru S -","- C28 H26 B2 N12 O2 Ru2 S2 -","2","1","","Pittard, Karl A.; Lee, John P.; Cundari, Thomas R.; Gunnoe, T. Brent; Petersen, Jeffrey L.","Reactions of TpRu(CO)(NCMe)(Me) (Tp = Hydridotris(pyrazolyl)borate) with Heteroaromatic Substrates: Stoichiometric and Catalytic C‒H Activation","Organometallics","2004","23","23","5514","5523","10.1021/om049508r","","","","","","","","","","","","","","","","","","","","","has coordinates","209877","2020-10-21","18:00:00",""
"4061113","9.9851","0.0006","23.4212","0.0019","19.0934","0.0015","90","","91.27","0.006","90","","4464.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H45 Au2 N P2 -","- C51 H45 Au2 N P2 -","- C204 H180 Au8 N4 P8 -","4","1","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Bautista, Delia","The First Metal Complexes Derived from 3,5-Diethynylpyridine. X-ray Crystal Structure of [(AuPTo3)2{μ-(C⋮C)2Py}] (Py = Pyridine-3,5-diyl; To =p-Tolyl)","Organometallics","2004","23","24","5707","5712","10.1021/om049509j","","","","","","","","","","","","","","","","","","","","","has coordinates","209941","2020-10-21","18:00:00",""
"4061114","11.819","0.006","16.86","0.006","18.887","0.008","90","","97.5","0.04","90","","3732","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Cr2 Mo2 N2 O18 Te2 -","- C50 H72 Cr2 Mo2 N2 O18 Te2 -","- C100 H144 Cr4 Mo4 N4 O36 Te4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049515f","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061115","11.828","0.004","16.829","0.002","16.8674","0.0017","90","","97.538","0.019","90","","3328.4","1.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Cr2 N2 O18 Te2 W2 -","- C50 H72 Cr2 N2 O18 Te2 W2 -","- C100 H144 Cr4 N4 O36 Te4 W4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049515f","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061116","8.557","0.0003","16.136","0.0006","24.976","0.0011","90","","90","","90","","3448.6","0.2","298","2","298","2","","","","","","","","6","P c n n","-P 2ab 2c","52","","","","- C26 H40 Cr3 N2 O10 Te2 -","- C26 H40 Cr3 N2 O10 Te2 -","- C104 H160 Cr12 N8 O40 Te8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049515f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061117","8.552","0.0002","16.345","0.0004","25.335","0.0009","90","","90","","90","","3541.39","0.17","298","2","298","2","","","","","","","","7","P c n n","-P 2ab 2c","52","","","","- C26 H40 Cr Mo2 N2 O10 Te2 -","- C26 H40 Cr Mo2 N2 O10 Te2 -","- C104 H160 Cr4 Mo8 N8 O40 Te8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049515f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061118","25.397","0.0002","16.399","0.0004","8.552","0.0008","90","","90","","90","","3561.8","0.3","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C26 H40 Cr N2 O10 Te2 W2 -","- C26 H40 Cr N2 O10 Te2 W2 -","- C104 H160 Cr4 N8 O40 Te8 W8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049515f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061119","9.127","0.002","12.697","0.003","19.664","0.005","90","","92.187","0.004","90","","2277.2","0.9","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O2 -","- C24 H30 N4 O2 -","- C96 H120 N16 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049518s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061120","10.8613","0.0002","20.8319","0.0003","13.3001","0.0003","90","","94.44","","90","","3000.29","0.1","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cl6 N4 O2 Ti -","- C25 H32 Cl6 N4 O2 Ti -","- C100 H128 Cl24 N16 O8 Ti4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049518s","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061121","16.8011","0.0006","13.002","0.0005","17.0017","0.0007","90","","90.921","0.001","90","","3713.5","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H42 Hf N4 O2 -","- C39.5 H42 Hf N4 O2 -","- C158 H168 Hf4 N16 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049518s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061122","9.0303","0.0004","9.1269","0.0004","25.4398","0.0011","90","","91.214","0.002","90","","2096.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[{Li(OEt2)(OBMes2)}2]","","","- C44 H64 B2 Li2 O4 -","- C44 H64 B2 Li2 O4 -","- C88 H128 B4 Li4 O8 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049520j","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061123","27.7092","0.0013","9.4616","0.0006","16.3004","0.0007","90","","91.119","0.003","90","","4272.7","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[{Li(MeCN)2(OB(mesityl)2)}2]","","","- C44 H56 B2 Li2 N4 O2 -","- C44 H56 B2 Li2 N4 O2 -","- C176 H224 B8 Li8 N16 O8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049520j","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061124","16.3684","0.0002","26.5187","0.0005","9.7433","0.0002","90","","90","","90","","4229.26","0.13","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[{Zn(Me)(OBMes2)}2].toluene","","","- C45 H58 B2 O2 Zn2 -","- C42 H44 B2 O2 Zn2 -","- C168 H176 B8 O8 Zn8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049520j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061125","8.0099","0.0001","10.5839","0.0002","11.6288","0.0002","105.53","0.001","108.855","0.001","93.507","0.001","887.01","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 O2 Zn2 -","- C40 H52 O2 Zn2 -","- C40 H52 O2 Zn2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049520j","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061126","23.7839","0.0003","16.7263","0.0002","32.1496","0.0003","90","","98.462","0.001","90","","12650.4","0.2","173","2","173","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","[{(Mes2BO)MgBr2Li(OEt2)2}2]","","","- C52 H84 B2 Br4 Li2 Mg2 O6 -","- C52 H84 B2 Br4 Li2 Mg2 O6 -","- C416 H672 B16 Br32 Li16 Mg16 O48 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049520j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178508","2020-10-21","18:00:00",""
"4061127","14.9529","0.0002","10.4052","0.0002","15.4761","0.0002","90","","114.518","0.001","90","","2190.78","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[{Mg(thf)(Me)OBMes2}2]","","","- C46 H66 B2 Mg2 O4 -","- C46 H66 B2 Mg2 O4 -","- C92 H132 B4 Mg4 O8 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049520j","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061128","10.2085","0.0005","11.3243","0.0006","12.956","0.0007","111.292","0.002","94.887","0.002","111.725","0.002","1253.99","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H78 B2 Mg2 O4 -","- C52 H78 B2 Mg2 O4 -","- C52 H78 B2 Mg2 O4 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049520j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061129","24.2452","0.0007","9.127","0.0002","26.6682","0.0007","90","","95.201","0.001","90","","5877","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H91 N5 Zn -","- C62 H88 N5 Zn -","- C248 H352 N20 Zn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049520j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178508","2020-10-21","18:00:00",""
"4061130","9.209","0.005","11.477","0.007","16.107","0.002","96.44","0.04","98.92","0.05","99.33","0.07","1643","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 N3 O10 Ru3 -","- C30 H19 N3 O10 Ru3 -","- C60 H38 N6 O20 Ru6 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Moreno, Marta; Pérez-Carreño, Enrique; Suárez, Marta","η3-Edge-Bridging versus η3-Face-Capping Coordination of a Conjugated Ynenyl Ligand on a Triruthenium Cluster Core","Organometallics","2004","23","24","5849","5855","10.1021/om049524o","","","","","","","","","","","","","","","","","","","","","has coordinates","209945","2020-10-21","18:00:00",""
"4061131","17.262","0.006","18.244","0.006","11.419","0.004","90","","90","","90","","3596.1","2","113.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C43 H39 Cl N2 Pd Zr -","- C42.6 H36 Cl1.4 N2 Pd Zr -","- C170.4 H144 Cl5.6 N8 Pd4 Zr4 -","4","0.5","","Junpei Kuwabara; Daisuke Takeuchi; Kohtaro Osakada","Preparation and Properties of Cp2Zr(μ-N=CAr2)2PdCl(Me), New Zr/Pd Heterobimetallic Complexes with Bridging Alkylideneamido Ligands","Organometallics","2004","23","","5092","","10.1021/om0495269","","","","","","","","","","","","","","","","","","","","","has coordinates","208254","2020-10-21","18:00:00",""
"4061132","18.641","0.005","18.013","0.005","11.793","0.003","90","","90","","90","","3959.6","2","113.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C47 H47 Cl N2 Pd Zr -","- C46.5 H44 Cl1.5 N2 Pd Zr -","- C186 H176 Cl6 N8 Pd4 Zr4 -","4","0.5","","Junpei Kuwabara; Daisuke Takeuchi; Kohtaro Osakada","Preparation and Properties of Cp2Zr(μ-N=CAr2)2PdCl(Me), New Zr/Pd Heterobimetallic Complexes with Bridging Alkylideneamido Ligands","Organometallics","2004","23","","5092","","10.1021/om0495269","","","","","","","","","","","","","","","","","","","","","has coordinates","208254","2020-10-21","18:00:00",""
"4061133","12.602","0.008","13.727","0.008","13.601","0.008","90","","104.43","0.01","90","","2278.7","2.4","113.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cl N2 Pd -","- C27 H25 Cl N2 Pd -","- C108 H100 Cl4 N8 Pd4 -","4","1","","Junpei Kuwabara; Daisuke Takeuchi; Kohtaro Osakada","Preparation and Properties of Cp2Zr(μ-N=CAr2)2PdCl(Me), New Zr/Pd Heterobimetallic Complexes with Bridging Alkylideneamido Ligands","Organometallics","2004","23","","5092","","10.1021/om0495269","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061134","16.974","0.011","9.739","0.006","18.543","0.012","90","","109.313","0.008","90","","2892.9","3.2","113.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl3 N2 Pd -","- C31 H31 Cl3 N2 Pd -","- C124 H124 Cl12 N8 Pd4 -","4","1","","Junpei Kuwabara; Daisuke Takeuchi; Kohtaro Osakada","Preparation and Properties of Cp2Zr(μ-N=CAr2)2PdCl(Me), New Zr/Pd Heterobimetallic Complexes with Bridging Alkylideneamido Ligands","Organometallics","2004","23","","5092","","10.1021/om0495269","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061135","15.87","0.0003","18.994","0.0003","32.514","0.0008","90","","90","","90","","9800.9","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H67 N O P2 Ru -","- C54 H67 N O P2 Ru -","- C432 H536 N8 O8 P16 Ru8 -","8","1","","Lo, Yih-Hsing; Hsu, Sheng-Cheng; Huang, Shou-Ling; Lin, Ying-Chih; Liu, Yi-Hong; Wang, Yu","Preparation of Ruthenium Azirinyl Complexes and Reversed Regiospecificity of the Carbonyl Insertion Reaction","Organometallics","2004","23","25","5924","5933","10.1021/om049528t","","","","","","","0.0711","","","0.1785","","","","","","","","","","","has coordinates","209965","2020-10-21","18:00:00",""
"4061136","11.285","0.0002","13.897","0.0002","16.039","0.0003","78.846","0.001","83.493","0.001","75.996","0.001","2388.65","0.07","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H54 F6 N O2 P3 Ru -","- C49 H54 F6 N O2 P3 Ru -","- C98 H108 F12 N2 O4 P6 Ru2 -","2","1","","Lo, Yih-Hsing; Hsu, Sheng-Cheng; Huang, Shou-Ling; Lin, Ying-Chih; Liu, Yi-Hong; Wang, Yu","Preparation of Ruthenium Azirinyl Complexes and Reversed Regiospecificity of the Carbonyl Insertion Reaction","Organometallics","2004","23","25","5924","5933","10.1021/om049528t","","","","","","","0.0521","","","0.1529","","","","","","","","","","","has coordinates,has disorder","209965","2020-10-21","18:00:00",""
"4061137","28.98","0.002","28.98","0.002","9.3367","0.0008","90","","90","","90","","7841.3","1","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C26 H34 B2 N8 Tl2 -","- C26 H34 B2 N8 Tl2 -","- C208 H272 B16 N64 Tl16 -","8","1","","Zhang, Fan; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Tl(I)-, Cu(I)-, and Ag(I) Complexes of the Ditopic 1,3-Phenylene-Bridged Heteroscorpionate Ligand [1,3-C6H4(tBuBpz2)2]2-","Organometallics","2004","23","21","5075","5080","10.1021/om049531c","","","","","","","","","","","","","","","","","","","","","has coordinates","209901","2020-10-21","18:00:00",""
"4061138","12.2675","0.0018","13.5058","0.0019","20.106","0.003","100.432","0.011","100.391","0.011","112.787","0.011","2902.9","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 Ag2 B2 N8 P2 -","- C62 H64 Ag2 B2 N8 P2 -","- C124 H128 Ag4 B4 N16 P4 -","2","1","","Zhang, Fan; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Tl(I)-, Cu(I)-, and Ag(I) Complexes of the Ditopic 1,3-Phenylene-Bridged Heteroscorpionate Ligand [1,3-C6H4(tBuBpz2)2]2-","Organometallics","2004","23","21","5075","5080","10.1021/om049531c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209901","2020-10-21","18:00:00",""
"4061139","14.9895","0.0006","16.1146","0.0007","9.2951","0.0004","90","","106.16","0.002","90","","2156.52","0.16","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 P2 -","- C23 H32 P2 -","- C92 H128 P8 -","4","1","","Liddle, Stephen T.; Izod, Keith","Synthesis and Characterization of 1,3-Diphosphapropene and Alkali-Metal 1,3-Diphosphaallyl Complexes and Unexpected 1,3-Rearrangement of a Cesium 1,3-Diphosphaallyl Complex to a Cesium Secondary Phosphanide","Organometallics","2004","23","23","5550","5559","10.1021/om049538u","","","","","","","","","","","","","","","","","","","","","has coordinates","209929","2020-10-21","18:00:00",""
"4061140","15.3088","0.0013","17.2665","0.0014","17.4201","0.0014","90","","90","","90","","4604.6","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H71 Na O10 P2 -","- C43 H71 Na O10 P2 -","- C172 H284 Na4 O40 P8 -","4","1","","Liddle, Stephen T.; Izod, Keith","Synthesis and Characterization of 1,3-Diphosphapropene and Alkali-Metal 1,3-Diphosphaallyl Complexes and Unexpected 1,3-Rearrangement of a Cesium 1,3-Diphosphaallyl Complex to a Cesium Secondary Phosphanide","Organometallics","2004","23","23","5550","5559","10.1021/om049538u","","","","","","","","","","","","","","","","","","","","","has coordinates","209929","2020-10-21","18:00:00",""
"4061141","14.6026","0.0013","12.1852","0.0011","23.654","0.002","90","","101.095","0.002","90","","4130.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 O8 P2 Rb -","- C39 H63 O8 P2 Rb -","- C156 H252 O32 P8 Rb4 -","4","1","","Liddle, Stephen T.; Izod, Keith","Synthesis and Characterization of 1,3-Diphosphapropene and Alkali-Metal 1,3-Diphosphaallyl Complexes and Unexpected 1,3-Rearrangement of a Cesium 1,3-Diphosphaallyl Complex to a Cesium Secondary Phosphanide","Organometallics","2004","23","23","5550","5559","10.1021/om049538u","","","","","","","","","","","","","","","","","","","","","has coordinates","209929","2020-10-21","18:00:00",""
"4061142","16.2814","0.0006","17.0098","0.0006","17.1196","0.0006","90","","90","","90","","4741.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H71 Cs O10 P2 -","- C43 H71 Cs O10 P2 -","- C172 H284 Cs4 O40 P8 -","4","1","","Liddle, Stephen T.; Izod, Keith","Synthesis and Characterization of 1,3-Diphosphapropene and Alkali-Metal 1,3-Diphosphaallyl Complexes and Unexpected 1,3-Rearrangement of a Cesium 1,3-Diphosphaallyl Complex to a Cesium Secondary Phosphanide","Organometallics","2004","23","23","5550","5559","10.1021/om049538u","","","","","","","","","","","","","","","","","","","","","has coordinates","209929","2020-10-21","18:00:00",""
"4061143","10.369","0.0004","15.9375","0.0007","21.8263","0.0009","90","","90","","90","","3606.9","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H54 Cs O8 P -","- C34 H54 Cs O8 P -","- C136 H216 Cs4 O32 P4 -","4","1","","Liddle, Stephen T.; Izod, Keith","Synthesis and Characterization of 1,3-Diphosphapropene and Alkali-Metal 1,3-Diphosphaallyl Complexes and Unexpected 1,3-Rearrangement of a Cesium 1,3-Diphosphaallyl Complex to a Cesium Secondary Phosphanide","Organometallics","2004","23","23","5550","5559","10.1021/om049538u","","","","","","","","","","","","","","","","","","","","","has coordinates","209929","2020-10-21","18:00:00",""
"4061144","19.3362","0.0006","8.6521","0.0003","18.9018","0.0006","90","","119.89","","90","","2741.73","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H44 O2 Si2 Ti2 -","- C25 H44 O2 Si2 Ti2 -","- C100 H176 O8 Si8 Ti8 -","4","0.5","","Buitrago, Olga; Ramírez de Arellano, Carmen; Jiménez, Gerardo; Cuenca, Tomás","Stable Methylene- and Oxo-Bridged Monocyclopentadienyl Titanium Compounds. Molecular Structure of {Ti[μ-(η5-C5Me4SiMe2-O)]Me}2(μ-CH2)","Organometallics","2004","23","24","5873","5876","10.1021/om0495426","","","","","","","","","","","","","","","","","","","","","has coordinates","209947","2020-10-21","18:00:00",""
"4061145","13.088","0.008","22.654","0.017","14.672","0.008","90","","90.121","0.013","90","","4350","5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H30 N3 P -","- C24 H30 N3 P -","- C192 H240 N24 P8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061146","18.762","0.01","18.762","0.01","11.19","0.008","90","","90","","120","","3411","4","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C12 H10 N P -","- C27 H24 N3 P -","- C162 H144 N18 P6 -","6","0.333333","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4061147","8.6498","0.0014","11.349","0.003","18.049","0.003","90","","97.376","0.014","90","","1757.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 Cl2 N4 P Ti -","- C11 H23 Cl2 N4 P Ti -","- C44 H92 Cl8 N16 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061148","17.752","0.009","16.426","0.008","18.854","0.01","90","","116.238","0.01","90","","4931","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H35 Cl2 N4 P Ti -","- C17 H35 Cl2 N4 P Ti -","- C136 H280 Cl16 N32 P8 Ti8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061149","12.847","0.007","12.747","0.007","14.182","0.007","90","","102.778","0.009","90","","2265","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H33 Cl2 N4 P Ti -","- C16 H33 Cl2 N4 P Ti -","- C64 H132 Cl8 N16 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061150","10.686","0.016","16.14","0.02","17.46","0.03","90","","107.76","0.02","90","","2867","7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H45 Cl2 N4 P Ti -","- C22 H45 Cl2 N4 P Ti -","- C88 H180 Cl8 N16 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061151","10.685","0.006","22.698","0.012","18.23","0.009","90","","106.665","0.01","90","","4235","4","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H69 Cl2 N4 P Ti -","- C34 H69 Cl2 N4 P Ti -","- C136 H276 Cl8 N16 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061152","16.129","0.009","8.836","0.005","20.812","0.011","90","","91.761","0.011","90","","2965","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Cl2 N4 P Ti -","- C22 H45 Cl2 N4 P Ti -","- C88 H180 Cl8 N16 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049545i","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061153","10.335","0.002","12.915","0.003","22.289","0.005","77.357","0.004","80.503","0.004","67.598","0.003","2672.8","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H90 P2 Pt Si -","- C58.5 H86 P2 Pt Si -","- C117 H172 P4 Pt2 Si2 -","2","1","","Chan, Danny; Duckett, Simon B.; Heath, Sarah L.; Khazal, Iman G.; Perutz, Robin N.; Sabo-Etienne, Sylviane; Timmins, Philippa L.","Platinum Bis(tricyclohexylphosphine) Silyl Hydride Complexes","Organometallics","2004","23","24","5744","5756","10.1021/om049549n","","","","","","","","","","","","","","","","","","","","","has coordinates","209942","2020-10-21","18:00:00",""
"4061154","11.5543","0.0007","23.1672","0.0009","20.9274","0.0015","90","","96.751","0.008","90","","5563","0.6","200","","","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C93 H42 B2 Cl2 F48 N2 O4 P4 Ru2 -","- C93 H42 B2 Cl2 F48 N2 O4 P4 Ru2 -","- C186 H84 B4 Cl4 F96 N4 O8 P8 Ru4 -","2","1","","Kumar, P. G. Anil; Pregosin, P. S.; Vallet, M.; Bernardinelli, G.; Jazzar, R. F.; Viton, F.; Kündig, E. P.","Toward an Understanding of the Anion Effect in CpRu-Based Diels‒Alder Catalysts via PGSE-NMR Measurements","Organometallics","2004","23","23","5410","5418","10.1021/om049559o","","","","","","","","","","","","","","","","","","","","","has coordinates","209919","2020-10-21","18:00:00",""
"4061155","12.1877","0.0008","17.24","0.0008","18.6316","0.0013","90","","96.268","0.008","90","","3891.4","0.5","200","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C78 H32 B F44 N O2 P2 Ru -","- C78 H32 B F44 N O2 P2 Ru -","- C156 H64 B2 F88 N2 O4 P4 Ru2 -","2","1","","Kumar, P. G. Anil; Pregosin, P. S.; Vallet, M.; Bernardinelli, G.; Jazzar, R. F.; Viton, F.; Kündig, E. P.","Toward an Understanding of the Anion Effect in CpRu-Based Diels‒Alder Catalysts via PGSE-NMR Measurements","Organometallics","2004","23","23","5410","5418","10.1021/om049559o","","","","","","","","","","","","","","","","","","","","","has coordinates","209919","2020-10-21","18:00:00",""
"4061156","10.2583","0.001","17.7662","0.0018","19.364","0.002","85.801","0.003","85.434","0.003","87.321","0.003","3505.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 Cl2 Si4 Zr -","- C30 H46 Cl2 Si4 Zr -","- C120 H184 Cl8 Si16 Zr4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om0495675","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061157","11.5765","0.0006","14.586","0.0008","15.452","0.0008","91.808","0.001","95.377","0.001","96.695","0.001","2577.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H64 Cl2 O Si4 Zr -","- C54 H64 Cl2 O Si4 Zr -","- C108 H128 Cl4 O2 Si8 Zr2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0495675","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061158","20.7006","0.0009","9.3584","0.0004","23.7365","0.0011","90","","96.702","0.001","90","","4566.9","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H70 O2 Si4 Zr -","- C44 H70 O2 Si4 Zr -","- C176 H280 O8 Si16 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0495675","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061159","19.0648","0.0012","9.935","0.0006","18.2959","0.0013","90","","118.419","0.003","90","","3047.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 Fe Si2 -","- C33.1 H46 Fe Si1.7 -","- C132.4 H184 Fe4 Si6.8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0495675","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061160","8.03","0.003","8.597","0.002","14.587","0.002","80.22","0.02","81.24","0.03","64.67","0.02","893.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 Cl2 N O2 Ta -","- C17 H22 Cl2 N O2 Ta -","- C34 H44 Cl4 N2 O4 Ta2 -","2","1","","Fandos, R.; Lopez-Solera, I.; Otero, A.; Rodriguez, A.M.; Ruiz, MJ.; Terreros, P.","Synthesis and Reactivity of Monocyclopentadienyl Tantalum Complexes with Pincer Dialkoxide Ligands.","Organometallics","2004","","","","","10.1021/om049582+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061161","14.888","0.003","8.022","0.004","16.723","0.003","90","","113.51","0.03","90","","1831.6","1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H24 N O2 Ta -","- C19 H28 N O2 Ta -","- C76 H112 N4 O8 Ta4 -","4","1","","Fandos, R.; Lopez-Solera, I.; Otero, A.; Rodriguez, A.M.; Ruiz, MJ.; Terreros, P.","Synthesis and Reactivity of Monocyclopentadienyl Tantalum Complexes with Pincer Dialkoxide Ligands.","Organometallics","2004","","","","","10.1021/om049582+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178508","2020-10-21","18:00:00",""
"4061162","8.2","0.002","14.023","0.007","17.074","0.004","90","","90","","90","","1963.3","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N O3 Ta -","- C20 H28 N O3 Ta -","- C80 H112 N4 O12 Ta4 -","4","1","","Fandos, R.; Lopez-Solera, I.; Otero, A.; Rodriguez, A.M.; Ruiz, MJ.; Terreros, P.","Synthesis and Reactivity of Monocyclopentadienyl Tantalum Complexes with Pincer Dialkoxide Ligands.","Organometallics","2004","","","","","10.1021/om049582+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061163","7.0933","0.0012","7.9013","0.0013","12.462","0.002","90","","102.582","0.004","90","","681.7","0.2","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H19 Co -","- C17 H19 Co -","- C34 H38 Co2 -","2","1","","Mutseneck, Elena V.; Loginov, Dmitry A.; Perekalin, Dmitry S.; Starikova, Zoya A.; Golovanov, Denis G.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Laschi, Franco; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Five-Electron Carbo- and Heterocyclic Ligands","Organometallics","2004","23","25","5944","5957","10.1021/om0495832","","","","","","","","","","","","","","","","","","","","","has coordinates","209960","2020-10-21","18:00:00",""
"4061164","7.536","0.003","8.458","0.004","11.715","0.005","92.396","0.009","103.839","0.009","113.186","0.009","658.6","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 Co O -","- C15 H19 Co O -","- C30 H38 Co2 O2 -","2","1","","Mutseneck, Elena V.; Loginov, Dmitry A.; Perekalin, Dmitry S.; Starikova, Zoya A.; Golovanov, Denis G.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Laschi, Franco; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Five-Electron Carbo- and Heterocyclic Ligands","Organometallics","2004","23","25","5944","5957","10.1021/om0495832","","","","","","","","","","","","","","","","","","","","","has coordinates","209960","2020-10-21","18:00:00",""
"4061165","9.799","0.002","11.217","0.002","14.735","0.003","90","","105.77","0.03","90","","1558.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Co P -","- C16 H24 Co P -","- C64 H96 Co4 P4 -","4","1","","Mutseneck, Elena V.; Loginov, Dmitry A.; Perekalin, Dmitry S.; Starikova, Zoya A.; Golovanov, Denis G.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Laschi, Franco; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Five-Electron Carbo- and Heterocyclic Ligands","Organometallics","2004","23","25","5944","5957","10.1021/om0495832","","","","","","","","","","","","","","","","","","","","","has coordinates","209960","2020-10-21","18:00:00",""
"4061166","13.704","0.003","16.854","0.003","29.116","0.006","90","","102.61","0.03","90","","6563","2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H102 O9 Sn3 -","- C63 H102 O9 Sn3 -","- C252 H408 O36 Sn12 -","4","1","","Prabusankar, Ganesan; Murugavel, Ramaswamy","Hexameric Organotincarboxylates with Cyclic and Drum Structures","Organometallics","2004","23","23","5644","5647","10.1021/om049584u","","","","","","","","","","","","","","","","","","","","","has coordinates","209937","2020-10-21","18:00:00",""
"4061167","17.238","0.003","18.411","0.003","14.729","0.002","90","","113.947","0.013","90","","4272.3","1.2","133","2","133","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C82 H130 Cl4 Mn3 N4 O6 -","- C82 H130 Cl4 Mn3 N4 O6 -","- C164 H260 Cl8 Mn6 N8 O12 -","2","0.25","","Chai, Jianfang; Zhu, Hongping; Roesky, Herbert W.; Yang, Zhi; Jancik, Vojtech; Herbst-Irmer, Regine; Schmidt, Hans-Georg; Noltemeyer, Mathias","Synthesis and Structure of Allyl and Alkynyl Complexes of Manganese(II) Supported by a Bulky β-Diketiminate Ligand","Organometallics","2004","23","21","5003","5006","10.1021/om049605k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209971","2020-10-21","18:00:00",""
"4061168","9.034","0.002","12.177","0.004","15.952","0.003","87.22","0.02","77.909","0.016","89.24","0.02","1713.9","0.7","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Mn N2 O -","- C36 H54 Mn N2 O -","- C72 H108 Mn2 N4 O2 -","2","1","","Chai, Jianfang; Zhu, Hongping; Roesky, Herbert W.; Yang, Zhi; Jancik, Vojtech; Herbst-Irmer, Regine; Schmidt, Hans-Georg; Noltemeyer, Mathias","Synthesis and Structure of Allyl and Alkynyl Complexes of Manganese(II) Supported by a Bulky β-Diketiminate Ligand","Organometallics","2004","23","21","5003","5006","10.1021/om049605k","","","","","","","","","","","","","","","","","","","","","has coordinates","209971","2020-10-21","18:00:00",""
"4061169","25.007","0.006","13.561","0.003","24.345","0.005","90","","107.43","0.05","90","","7877","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84.17 H96.77 Li4 N2 O2 P2 -","- C84.172 H96.768 Li4 N2 O2 P2 -","- C336.688 H387.072 Li16 N8 O8 P8 -","4","0.5","","Price, Richard D.; Fernández, Ignacio; Gómez, Gloria Ruiz; Ortiz, Fernando López; Davidson, Matthew G.; Cowan, John A.; Howard, Judith A. K.","The First Mixed-Anion Complex of a Lithium Phosphazene: Synthesis and Crystal and Solution Structure of [(LiCH2P(Ph)2NPh)·(LiOC6H2-2,6-{C(CH3)3}-4-CH3)]2","Organometallics","2004","23","25","5934","5938","10.1021/om049608x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209964","2020-10-21","18:00:00",""
"4061170","9.972","0.001","14.7777","0.0016","16.6067","0.0018","74.422","0.002","84.049","0.002","80.928","0.002","2323","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 N6 O2 S2 Si -","- C56 H44 N6 O2 S2 Si -","- C112 H88 N12 O4 S4 Si2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049626e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061171","10.399","0.003","12.562","0.005","18.042","0.005","90","","90","","90","","2356.9","1.3","253","2","253","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cr N O3 P -","- C26 H24 Cr N O3 P -","- C104 H96 Cr4 N4 O12 P4 -","4","1","","Englert, Ulli; Hu, Chunhua; Salzer, Albrecht; Alberico, Elisabetta","Conformationally Constrained Diphosphines Derived from (η6-(S)-1-(dimethylamino)indane)Cr(CO)3: Synthesis and Application in Enantioselective Hydrogenation","Organometallics","2004","23","23","5419","5431","10.1021/om049628z","","","","","","","","","","","","","","","","","","","","","has coordinates","209920","2020-10-21","18:00:00",""
"4061172","10.7821","0.0017","13.22","0.007","12.5118","0.0018","90","","100.691","0.012","90","","1752.4","1","228","2","228","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H34 Cr O3 P2 -","- C42 H34 Cr O3 P2 -","- C84 H68 Cr2 O6 P4 -","2","1","","Englert, Ulli; Hu, Chunhua; Salzer, Albrecht; Alberico, Elisabetta","Conformationally Constrained Diphosphines Derived from (η6-(S)-1-(dimethylamino)indane)Cr(CO)3: Synthesis and Application in Enantioselective Hydrogenation","Organometallics","2004","23","23","5419","5431","10.1021/om049628z","","","","","","","","","","","","","","","","","","","","","has coordinates","209920","2020-10-21","18:00:00",""
"4061173","11.123","0.0004","13.558","0.0004","19.887","0.0007","90","","90","","90","","2999.07","0.17","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O3 Ti -","- C35 H41 N O3 Ti -","- C140 H164 N4 O12 Ti4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061174","10.856","0.0007","15.143","0.001","19.379","0.0008","100.792","0.004","101.949","0.004","95.608","0.002","3030.6","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Cl4 N O3 Ti -","- C33.015 H25.5 Cl4 N O3 Ti -","- C132.06 H102 Cl16 N4 O12 Ti4 -","4","2","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061175","8.878","0.0002","11.504","0.0003","16.204","0.0006","90.05","0.001","96.651","0.001","105.94","0.0019","1579.69","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 Ti -","- C36 H44 N2 O2 Ti -","- C72 H88 N4 O4 Ti2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061176","10.364","0.0002","17.559","0.0006","20.332","0.0006","90","","93.738","0.0018","90","","3692.18","0.18","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl4 N2 O3 Ti -","- C36 H42 Cl4 N2 O3 Ti -","- C144 H168 Cl16 N8 O12 Ti4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061177","13.069","0.002","11.007","0.002","34.101","0.006","90","","90.43","0.01","90","","4905","1","296","","296","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52 H47 F6 O2 P5 Ru -","- C52 H47 F6 O2 P5 Ru -","- C208 H188 F24 O8 P20 Ru4 -","4","1","","Wyman, Ian W.; Burchell, Tara J.; Robertson, Kathy N.; Cameron, T. Stanley; Aquino, Manuel A. S.","Structure and Electrochemistry of Heterobimetallic Ferrocenecarboxylatoruthenium(II) Complexes","Organometallics","2004","23","22","5353","5364","10.1021/om049635n","","","","","","","0.0831","","","0.2069","","","","","","","","","","","has coordinates","209907","2020-10-21","18:00:00",""
"4061178","13.632","0.002","19.576","0.001","20.295","0.004","90","","98.22","0.01","90","","5360","1","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27.5 F3 O2 P2.5 Ru0.5 -","- C27 H27.5 F3 O2 P2.5 Ru0.5 -","- C216 H220 F24 O16 P20 Ru4 -","8","1","","Wyman, Ian W.; Burchell, Tara J.; Robertson, Kathy N.; Cameron, T. Stanley; Aquino, Manuel A. S.","Structure and Electrochemistry of Heterobimetallic Ferrocenecarboxylatoruthenium(II) Complexes","Organometallics","2004","23","22","5353","5364","10.1021/om049635n","","","","","","","","","","","","","","","","","","","","","has coordinates","209907","2020-10-21","18:00:00",""
"4061179","11.609","0.004","14.963","0.002","15.202","0.001","90","","99.29","0.01","90","","2606","0.8","183.2","","183.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H59 F6 O3 P5 Ru -","- C57 H59 F6 O3 P5 Ru -","- C114 H118 F12 O6 P10 Ru2 -","2","1","","Wyman, Ian W.; Burchell, Tara J.; Robertson, Kathy N.; Cameron, T. Stanley; Aquino, Manuel A. S.","Structure and Electrochemistry of Heterobimetallic Ferrocenecarboxylatoruthenium(II) Complexes","Organometallics","2004","23","22","5353","5364","10.1021/om049635n","","","","","","","","","","","","","","","","","","","","","has coordinates","209907","2020-10-21","18:00:00",""
"4061180","20.355","0.004","13.803","0.002","20.1","0.006","90","1.8","90","0.5","90","","5647","2","296","","296","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C61 H53 F6 Fe O2 P5 Ru -","- C61 H53 F6 Fe O2 P5 Ru -","- C244 H212 F24 Fe4 O8 P20 Ru4 -","4","1","","Wyman, Ian W.; Burchell, Tara J.; Robertson, Kathy N.; Cameron, T. Stanley; Aquino, Manuel A. S.","Structure and Electrochemistry of Heterobimetallic Ferrocenecarboxylatoruthenium(II) Complexes","Organometallics","2004","23","22","5353","5364","10.1021/om049635n","","","","","","","0.0588","","","0.1531","","","","","","","","","","","has coordinates","209907","2020-10-21","18:00:00",""
"4061181","15.011","0.007","17.103","0.005","13.088","0.008","104.47","0.04","103.76","0.04","67.98","0.03","2977","3","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H65 F6 Fe O4 P5 Ru -","- C65 H65 F6 Fe O4 P5 Ru -","- C130 H130 F12 Fe2 O8 P10 Ru2 -","2","1","","Wyman, Ian W.; Burchell, Tara J.; Robertson, Kathy N.; Cameron, T. Stanley; Aquino, Manuel A. S.","Structure and Electrochemistry of Heterobimetallic Ferrocenecarboxylatoruthenium(II) Complexes","Organometallics","2004","23","22","5353","5364","10.1021/om049635n","","","","","","","","","","","","","","","","","","","","","has coordinates","209907","2020-10-21","18:00:00",""
"4061182","14.166","0.002","20.123","0.002","20.6052","0.0009","90","","96.453","0.007","90","","5836","1","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H61 F6 Fe O2 P5 Ru -","- C65 H61 F6 Fe O2 P5 Ru -","- C260 H244 F24 Fe4 O8 P20 Ru4 -","4","1","","Wyman, Ian W.; Burchell, Tara J.; Robertson, Kathy N.; Cameron, T. Stanley; Aquino, Manuel A. S.","Structure and Electrochemistry of Heterobimetallic Ferrocenecarboxylatoruthenium(II) Complexes","Organometallics","2004","23","22","5353","5364","10.1021/om049635n","","","","","","","0.0499","","","0.1144","","","","","","","","","","","has coordinates,has disorder","209907","2020-10-21","18:00:00",""
"4061183","25.117","0.0001","25.671","0.0002","13.074","0.0002","90","","90","","90","","8429.83","0.15","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H23 I O2 Sn -","- C22 H23 I O2 Sn -","- C352 H368 I16 O32 Sn16 -","16","2","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Rǔžička, Aleš; Císařová, Ivana; Holeček, Jaroslav","Quest for Organotin(IV) Cations Containing O,C,O-Chelating Ligands","Organometallics","2004","","","","","10.1021/om049636f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061184","10.49","0.0001","11.56","0.0001","18.806","0.0003","90","","90.499","0.0006","90","","2280.41","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 F3 O4 Sn -","- C24 H23 F3 O4 Sn -","- C96 H92 F12 O16 Sn4 -","4","1","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Rǔžička, Aleš; Císařová, Ivana; Holeček, Jaroslav","Quest for Organotin(IV) Cations Containing O,C,O-Chelating Ligands","Organometallics","2004","","","","","10.1021/om049636f","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061185","8.653","0.0001","10.714","0.0002","13.09","0.0002","94.99","0.0008","99.412","0.0009","101.163","0.0007","1165.7","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 F3 O5 S Sn -","- C23 H23 F3 O5 S Sn -","- C46 H46 F6 O10 S2 Sn2 -","2","1","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Rǔžička, Aleš; Císařová, Ivana; Holeček, Jaroslav","Quest for Organotin(IV) Cations Containing O,C,O-Chelating Ligands","Organometallics","2004","","","","","10.1021/om049636f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061186","20.84","0.0001","18.068","0.0001","15.917","0.0002","90","","90","","90","","5993.34","0.09","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H35 F3 O5 S Sn -","- C29 H35 F3 O5 S Sn -","- C232 H280 F24 O40 S8 Sn8 -","8","2","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Rǔžička, Aleš; Císařová, Ivana; Holeček, Jaroslav","Quest for Organotin(IV) Cations Containing O,C,O-Chelating Ligands","Organometallics","2004","","","","","10.1021/om049636f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061187","7.9176","0.0005","12.0194","0.0007","12.0845","0.0007","79.475","0.003","85.387","0.002","74.614","0.002","1089.5","0.1","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 S4 Si -","- C22 H18 S4 Si -","- C44 H36 S8 Si2 -","2","1","","Lee, Kwang-Hoi; Ohshita, Joji; Kunai, Atsutaka","Synthesis and Properties of Bis(methylthio)dithienosilole and Its Oxides","Organometallics","2004","23","23","5481","5487","10.1021/om049642b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061188","11.422","0.002","15.828","0.003","17.115","0.002","109.296","0.008","104.18","0.004","93.11","0.01","2800.2","0.7","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 S3 Si3 -","- C26 H30 S3 Si3 -","- C104 H120 S12 Si12 -","4","2","","","","Organometallics","2004","","","","","10.1021/om0496479","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061189","9.6901","0.0003","15.6311","0.0005","16.1127","0.0005","90","","102.402","0.0009","90","","2383.6","0.1","153.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 Si -","- C30 H24 N2 Si -","- C120 H96 N8 Si4 -","4","1","","Ohshita, Joji; Lee, Kwang-Hoi; Kimura, Keisuke; Kunai, Atsutaka","Synthesis of Siloles Condensed with Benzothiophene and Indole Rings","Organometallics","2004","23","23","5622","5625","10.1021/om049656h","","","","","","","","","","","","","","","","","","","","","has coordinates","209962","2020-10-21","18:00:00",""
"4061190","10.881","0.003","21.536","0.006","7.93","0.002","90","","93.974","0.005","90","","1853.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","","Xiubo Tang; Biao Wu; Wenjuan Zhang","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178508","2020-10-21","18:00:00",""
"4061191","8.566","0.003","11.233","0.003","22.545","0.007","103.851","0.005","91.796","0.006","93.92","0.006","2098.8","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C88 H112 N8 O8 -","4","2","","Xiubo Tang; Biao Wu; Wenjuan Zhang","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061192","18.572","0.004","8.1783","0.0016","14.677","0.003","90","","107.5","0.03","90","","2126.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 Fe N2 O2 -","- C20 H24 Cl2 Fe N2 O2 -","- C80 H96 Cl8 Fe4 N8 O8 -","4","1","","Xiubo Tang; Biao Wu; Wenjuan Zhang","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061193","9.8641","0.0002","18.0236","0.0004","13.0853","0.0003","90","","93.224","0.003","90","","2322.71","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cl2 Fe N2 O2 -","- C22 H28 Cl2 Fe N2 O2 -","- C88 H112 Cl8 Fe4 N8 O8 -","4","1","","Xiubo Tang; Biao Wu; Wenjuan Zhang","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061194","8.1888","0.0016","8.9943","0.0018","16.108","0.003","100.49","0.03","98.71","0.03","94.71","0.03","1145.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl6 Fe N2 O2 -","- C17 H16 Cl6 Fe N2 O2 -","- C34 H32 Cl12 Fe2 N4 O4 -","2","1","","Xiubo Tang; Biao Wu; Wenjuan Zhang","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061195","8.1968","0.0016","8.9615","0.0018","16.47","0.003","102.26","0.03","98.51","0.03","94.46","0.03","1161.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cl4 Fe N2 O2 -","- C17 H16 Br2 Cl4 Fe N2 O2 -","- C34 H32 Br4 Cl8 Fe2 N4 O4 -","2","1","","Xiubo Tang; Biao Wu; Wenjuan Zhang","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061196","9.84","0.002","17.844","0.004","13.178","0.003","90","","92.85","0.03","90","","2311.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cl2 Co N2 O2 -","- C22 H28 Cl2 Co N2 O2 -","- C88 H112 Cl8 Co4 N8 O8 -","4","1","","Xiubo Tang; Biao Wu; Wenjuan Zhang","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178508","2020-10-21","18:00:00",""
"4061197","8.1368","0.0016","8.965","0.0018","16.349","0.003","102.23","0.03","98.36","0.03","94.28","0.03","1146.2","0.4","173","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cl4 Co N2 O2 -","- C17 H16 Br2 Cl4 Co N2 O2 -","- C34 H32 Br4 Cl8 Co2 N4 O4 -","2","1","","Xiubo Tang; Biao Wu; Wenjuan Zhang","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061198","11.171","0.002","15.149","0.003","16.419","0.003","90","","90","","90","","2778.4","1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O10 Pd2 -","- C26 H26 N2 O10 Pd2 -","- C104 H104 N8 O40 Pd8 -","4","1","","Kim, Mieock; Liu, Qiancai; Gabbaï, François P.","Use of an Organometallic Palladium Oxazoline Catalyst for the Hydrolysis of Methylparathion","Organometallics","2004","23","23","5560","5564","10.1021/om049687c","","","","","","","","","","","","","","","","","","","","","has coordinates","209930","2020-10-21","18:00:00",""
"4061199","9.668","0.006","11.233","0.006","11.733","0.006","104.602","0.01","111.448","0.01","100.012","0.009","1096.4","1.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H21 N2 O9 P Pd S -","- C19 H21 N2 O9 P Pd S -","- C38 H42 N4 O18 P2 Pd2 S2 -","2","1","","Kim, Mieock; Liu, Qiancai; Gabbaï, François P.","Use of an Organometallic Palladium Oxazoline Catalyst for the Hydrolysis of Methylparathion","Organometallics","2004","23","23","5560","5564","10.1021/om049687c","","","","","","","","","","","","","","","","","","","","","has coordinates","209930","2020-10-21","18:00:00",""
"4061200","26.031","0.005","21.308","0.004","14.864","0.003","90","","90","","90","","8245","3","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H68 B F15 Zr -","- C80 H68 B F15 Zr -","- C320 H272 B4 F60 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496885","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061201","12.095","0.006","7.546","0.005","13.137","0.006","90","","93.08","0.04","90","","1197.3","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl2 O2 Pd2 -","- C24 H34 Cl2 O2 Pd2 -","- C48 H68 Cl4 O4 Pd4 -","2","0.5","","Meinhard, Dieter; Hollmann, Frank; Huhn, Wolfgang; Thewalt, Ulf; Klinga, Marttii; Rieger, Bernhard","Novel Single-Component Palladium(II) Catalysts for the Alternating CO/Propene Copolymerization Reaction","Organometallics","2004","23","23","5637","5639","10.1021/om049689x","","","","","","","","","","","","","","","","","","","","","has coordinates","209936","2020-10-21","18:00:00",""
"4061202","19.735","0.004","12.5439","0.0016","15.9509","0.0019","90","","90","","90","","3948.7","1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H43 F6 O P2 Pd Sb -","- C39 H41 F6 O P2 Pd Sb -","- C156 H164 F24 O4 P8 Pd4 Sb4 -","4","1","","Meinhard, Dieter; Hollmann, Frank; Huhn, Wolfgang; Thewalt, Ulf; Klinga, Marttii; Rieger, Bernhard","Novel Single-Component Palladium(II) Catalysts for the Alternating CO/Propene Copolymerization Reaction","Organometallics","2004","23","23","5637","5639","10.1021/om049689x","","","","","","","","","","","","","","","","","","","","","has coordinates","209936","2020-10-21","18:00:00",""
"4061203","15.076","0.005","17.41","0.005","32.621","0.01","88.052","0.005","86.399","0.005","66.131","0.005","7814","4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H87 F12 N P2 Ru9 S8 -","- C62 H87 F12 N P2 Ru9 S8 -","- C248 H348 F48 N4 P8 Ru36 S32 -","4","2","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Organometallics","2004","","","","","10.1021/om0496941","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061204","9.1234","0.0008","15.8433","0.0009","20.255","0.002","90","","90","","90","","2927.8","0.4","200","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H40 Li2 O4 Se2 -","- C28 H40 Li2 O4 Se2 -","- C112 H160 Li8 O16 Se8 -","4","0.5","","Wallbank, Andrew I.; Brown, Martin J.; Nitschke, Christian; Corrigan, John F.","Biphenylene-4,4'-diselenolate as a Molecular Bridge: Preparation and Characterization of [PdCl(PnBu3)2Se-C6H4-C6H4-Se-PdCl(PnBu3)2]","Organometallics","2004","23","23","5648","5651","10.1021/om049721n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209938","2020-10-21","18:00:00",""
"4061205","12.057","0.001","23.41","0.002","12.794","0.001","90","","91.91","0.01","90","","3609.2","0.5","200","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H116 Cl2 P4 Pd2 Se2 -","- C60 H116 Cl2 P4 Pd2 Se2 -","- C120 H232 Cl4 P8 Pd4 Se4 -","2","0.5","","Wallbank, Andrew I.; Brown, Martin J.; Nitschke, Christian; Corrigan, John F.","Biphenylene-4,4'-diselenolate as a Molecular Bridge: Preparation and Characterization of [PdCl(PnBu3)2Se-C6H4-C6H4-Se-PdCl(PnBu3)2]","Organometallics","2004","23","23","5648","5651","10.1021/om049721n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209938","2020-10-21","18:00:00",""
"4061206","8.6351","0.0002","10.2727","0.0003","13.1572","0.0004","81.049","0.001","74.277","0.001","74.535","0.002","1078.4","0.05","200","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 Se2 Si2 -","- C18 H26 Se2 Si2 -","- C36 H52 Se4 Si4 -","2","1","","Wallbank, Andrew I.; Brown, Martin J.; Nitschke, Christian; Corrigan, John F.","Biphenylene-4,4'-diselenolate as a Molecular Bridge: Preparation and Characterization of [PdCl(PnBu3)2Se-C6H4-C6H4-Se-PdCl(PnBu3)2]","Organometallics","2004","23","23","5648","5651","10.1021/om049721n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209938","2020-10-21","18:00:00",""
"4061207","6.1838","0.0002","7.0703","0.0003","10.3448","0.0004","70.874","0.002","88.268","0.002","85.682","0.002","426.1","0.03","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H22 Se2 Si2 -","- C12 H22 Se2 Si2 -","- C12 H22 Se2 Si2 -","1","0.5","","Wallbank, Andrew I.; Brown, Martin J.; Nitschke, Christian; Corrigan, John F.","Biphenylene-4,4'-diselenolate as a Molecular Bridge: Preparation and Characterization of [PdCl(PnBu3)2Se-C6H4-C6H4-Se-PdCl(PnBu3)2]","Organometallics","2004","23","23","5648","5651","10.1021/om049721n","","","","","","","","","","","","","","","","","","","","","has coordinates","209938","2020-10-21","18:00:00",""
"4061208","11.7368","0.0017","15.114","0.002","18.074","0.003","90","","102.716","0.003","90","","3127.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 B Cd N7 O2 -","- C34 H36 B Cd N7 O2 -","- C136 H144 B4 Cd4 N28 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049761r","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061209","10.5185","0.0011","12.548","0.001","20.266","0.002","90","","102.507","0.002","90","","2611.4","0.5","113.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H70 B2 F8 O2 Pt4 -","- C56 B2 F8 O2 Pt4 -","- C112 B4 F16 O4 Pt8 -","2","1","","Suzaki, Yuji; Osakada, Kohtaro","Transmetalation of Phenylplatinum(II) Complex. Isolation and Characterization of a Dinuclear Intermediate in Intermolecular Phenyl Ligand Transfer","Organometallics","2004","23","21","5081","5084","10.1021/om049798b","","","","","","","","","","","","","","","","","","","","","has coordinates","209906","2020-10-21","18:00:00",""
"4061210","9.949","0.002","24.138","0.005","8.1414","0.0016","90","","108.54","0.03","90","","1853.7","0.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 N2 Si2 -","- C16 H20 Cl2 N2 Si2 -","- C64 H80 Cl8 N8 Si8 -","4","1","","Wagler, Jörg; Böhme, Uwe; Roewer, Gerhard","Activation of a Si‒Si Bond by Hypercoordination: Cleavage of a Disilane and Formation of a Si‒C Bond","Organometallics","2004","23","25","6066","6069","10.1021/om040096w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209952","2020-10-21","18:00:00",""
"4061211","10.522","0.003","17.006","0.004","22.655","0.006","90","","101.42","0.004","90","","3973.4","1.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N4 O4 Si2 -","- C46 H46 N4 O4 Si2 -","- C184 H184 N16 O16 Si8 -","4","1","","Wagler, Jörg; Böhme, Uwe; Roewer, Gerhard","Activation of a Si‒Si Bond by Hypercoordination: Cleavage of a Disilane and Formation of a Si‒C Bond","Organometallics","2004","23","25","6066","6069","10.1021/om040096w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209952","2020-10-21","18:00:00",""
"4061212","8.6307","0.0002","11.0178","0.0003","17.6259","0.0004","89.201","0.002","88.553","0.0014","78.644","0.0015","1642.66","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H54 Ru3 -","- C35 H39 Ru3 -","- C70 H78 Ru6 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049237k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061213","17.295","0.004","18.001","0.004","22.41","0.005","90","","90","","90","","6977","3","223","2","223","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C38 H54 O2 Ru3 -","- C38 O2 Ru3 -","- C304 O16 Ru24 -","8","","","","","Organometallics","2004","","","","","10.1021/om049237k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178509","2020-10-21","18:00:00",""
"4061214","21.2278","0.0004","9.8455","0.0002","21.7664","0.0004","90","","100.37","0.001","90","","4474.83","0.15","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C76 H108 Br4 Fe2 N20 O4 S4 -","- C76 H108 Br4 Fe2 N20 O4 S4 -","- C152 H216 Br8 Fe4 N40 O8 S8 -","2","0.25","","","","Organometallics","2004","","","","","10.1021/om049246t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178509","2020-10-21","18:00:00",""
"4061215","16.103","0.002","8.642","0.001","17.032","0.002","90","","114.11","0.05","90","","2163.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23 H23 Cl N O P Pt -","- C23 H23 Cl N O P Pt -","- C92 H92 Cl4 N4 O4 P4 Pt4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Electrophilic Activation: Unexpected Metal‒Metal Bond-Assisted Tl+ Chelation by a Pt-Benzyl Moiety Instead of Chloride Abstraction","Organometallics","2004","23","26","6311","6318","10.1021/om049282s","","","","","","","","","","","","","","","","","","","","","has coordinates","209881","2020-10-21","18:00:00",""
"4061216","16","0.001","13.307","0.002","23.089","0.002","90","","94.49","0.04","90","","4900.8","0.9","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H47 B Cl2 F4 N2 O2 P2 Pt2 -","- C46.5 H47 B Cl2 F4 N2 O2 P2 Pt2 -","- C186 H188 B4 Cl8 F16 N8 O8 P8 Pt8 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Electrophilic Activation: Unexpected Metal‒Metal Bond-Assisted Tl+ Chelation by a Pt-Benzyl Moiety Instead of Chloride Abstraction","Organometallics","2004","23","26","6311","6318","10.1021/om049282s","","","","","","","","","","","","","","","","","","","","","has coordinates","209881","2020-10-21","18:00:00",""
"4061217","8.864","0.001","11.287","0.001","13.984","0.001","80.83","0.03","72.74","0.03","84.38","0.03","1317.1","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H23 Cl F6 N O P2 Pt Tl -","- C23 H23 Cl F6 N O P2 Pt Tl -","- C46 H46 Cl2 F12 N2 O2 P4 Pt2 Tl2 -","2","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Electrophilic Activation: Unexpected Metal‒Metal Bond-Assisted Tl+ Chelation by a Pt-Benzyl Moiety Instead of Chloride Abstraction","Organometallics","2004","23","26","6311","6318","10.1021/om049282s","","","","","","","","","","","","","","","","","","","","","has coordinates","209881","2020-10-21","18:00:00",""
"4061218","11.094","0.001","12.717","0.001","16.605","0.001","90","","104.04","0.05","90","","2272.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23.5 H22 Cl2 N O2 P Pt -","- C23.5 H22 Cl2 N O2 P Pt -","- C94 H88 Cl8 N4 O8 P4 Pt4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Electrophilic Activation: Unexpected Metal‒Metal Bond-Assisted Tl+ Chelation by a Pt-Benzyl Moiety Instead of Chloride Abstraction","Organometallics","2004","23","26","6311","6318","10.1021/om049282s","","","","","","","","","","","","","","","","","","","","","has coordinates","209881","2020-10-21","18:00:00",""
"4061219","9.849","0.001","12.83","0.003","22.661","0.005","90","","90","","90","","2863.5","1","173","2","173","2","","","","","","","","7","P 21 2 21","P 2ac 2ac","18","","","","- C26 H27 F6 N O2.75 P2 Pt -","- C26 H27 F6 N O2.75 P2 Pt -","- C104 H108 F24 N4 O11 P8 Pt4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Electrophilic Activation: Unexpected Metal‒Metal Bond-Assisted Tl+ Chelation by a Pt-Benzyl Moiety Instead of Chloride Abstraction","Organometallics","2004","23","26","6311","6318","10.1021/om049282s","","","","","","","","","","","","","","","","","","","","","has coordinates","209881","2020-10-21","18:00:00",""
"4061220","8.4919","0.0011","13.4629","0.0018","33.527","0.005","90","","92.941","0.011","90","","3827.9","0.9","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 F3 O5 Rh S -","- C17 H20 F3 O5 Rh S -","- C136 H160 F24 O40 Rh8 S8 -","8","2","","Jamal Moussa; Carine Guyard-Duhayon; Patrick Herson; Marie Noelle Rager; Hani Amouri; Anny Jutand","eta5-Semiquinone Complexes and the Related p- eta4-Benzoquinone of Pentamethylcyclopentadienyl-Rhodium and -Iridium: Synthesis, Structures, Hydrogen Bonding and Electrochemical Behavior","Organometallics","2004","","","","","10.1021/om049292t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061221","8.5212","0.0004","13.4936","0.0014","33.614","0.003","90","","93.464","0.006","90","","3857.9","0.6","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 F3 Ir O5 S -","- C17 H19 F3 Ir O5 S -","- C136 H152 F24 Ir8 O40 S8 -","8","2","","Jamal Moussa; Carine Guyard-Duhayon; Patrick Herson; Marie Noelle Rager; Hani Amouri; Anny Jutand","eta5-Semiquinone Complexes and the Related p- eta4-Benzoquinone of Pentamethylcyclopentadienyl-Rhodium and -Iridium: Synthesis, Structures, Hydrogen Bonding and Electrochemical Behavior","Organometallics","2004","","","","","10.1021/om049292t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061222","13.9281","0.0008","14.398","0.003","15.554","0.004","90","","90","","90","","3119.1","1","295","","295","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C16 H23 O4 Rh -","- C16 H19 O4 Rh -","- C128 H152 O32 Rh8 -","8","1","","Jamal Moussa; Carine Guyard-Duhayon; Patrick Herson; Marie Noelle Rager; Hani Amouri; Anny Jutand","eta5-Semiquinone Complexes and the Related p- eta4-Benzoquinone of Pentamethylcyclopentadienyl-Rhodium and -Iridium: Synthesis, Structures, Hydrogen Bonding and Electrochemical Behavior","Organometallics","2004","","","","","10.1021/om049292t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061223","10.1622","0.001","19.683","0.002","19.5545","0.0019","90","","102.31","0.003","90","","3821.5","0.7","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 Cl5 N2 Zr -","- C36 H55 Cl5 N2 Zr -","- C144 H220 Cl20 N8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049332t","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061224","12.038","0.0009","17.948","0.0013","20.9026","0.0015","90","","98.421","0.002","90","","4467.5","0.6","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H53 F9 N2 O9 S3 Zr -","- C38 H53 F9 N2 O9 S3 Zr -","- C152 H212 F36 N8 O36 S12 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049332t","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061225","78.474","0.016","11.43","0.003","21.035","0.004","90","","102.159","0.007","90","","18444","7","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H80 Cl N2 O0.5 Zr -","- C47 H75 Cl N2 O0.5 Zr -","- C752 H1200 Cl16 N32 O8 Zr16 -","16","2","","","","Organometallics","2004","","","","","10.1021/om049332t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061226","15.3155","0.0014","17.769","0.0016","18.5821","0.0017","90","","91.059","0.002","90","","5056.1","0.8","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H85 Cl N2 O Si2 Zr -","- C47 H85 Cl N2 O Si2 Zr -","- C188 H340 Cl4 N8 O4 Si8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049332t","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061227","17.709","0.005","20.592","0.006","22.911","0.006","90.375","0.009","107.777","0.01","105.274","0.01","7641","4","118","2","118","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H106 F6 N4 O6 S2 Zr2 -","- C72 H106 F6 N4 O6 S2 Zr2 -","- C288 H424 F24 N16 O24 S8 Zr8 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049332t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061228","11.127","0.002","17.397","0.004","19.846","0.004","90","","97.755","0.005","90","","3806.6","1.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 Cl N2 O Zr -","- C39 H61 Cl N2 O Zr -","- C156 H244 Cl4 N8 O4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049332t","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061229","11.095","0.004","21.883","0.008","14.564","0.005","90","","90.213","0.005","90","","3536","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 B20 Cl4 N2 Ni -","- C18 H36 B20 Cl4 N2 Ni -","- C72 H144 B80 Cl16 N8 Ni4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0493356","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061230","11.017","0.004","15.451","0.005","15.773","0.005","95.888","0.006","90.886","0.006","99.304","0.007","2634.3","1.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 Mn O3 P2 -","- C30 H27 Mn O3 P2 -","- C120 H108 Mn4 O12 P8 -","4","2","","Darensbourg, Donald J.; Ganguly, Poulomi; Billodeaux, Damon R.","Structural Characterization of Several (CO)3(dppp)MnX Derivatives, dppp = 1,3-Bis(diphenylphosphino)propane and X = H, OTs, OC2H5, Cl, Br, or N3. An Assessment of Their Efficacy for Catalyzing the Coupling of Carbon Dioxide and Epoxides","Organometallics","2004","23","25","6025","6030","10.1021/om049352v","","","","","","","","","","","","","","","","","","","","","has coordinates","209955","2020-10-21","18:00:00",""
"4061231","10.539","0.003","14.793","0.004","21.716","0.006","90","","90.534","0.005","90","","3385.7","1.7","110","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 Mn O6 P2 S -","- C37 H33 Mn O6 P2 S -","- C148 H132 Mn4 O24 P8 S4 -","4","1","","Darensbourg, Donald J.; Ganguly, Poulomi; Billodeaux, Damon R.","Structural Characterization of Several (CO)3(dppp)MnX Derivatives, dppp = 1,3-Bis(diphenylphosphino)propane and X = H, OTs, OC2H5, Cl, Br, or N3. An Assessment of Their Efficacy for Catalyzing the Coupling of Carbon Dioxide and Epoxides","Organometallics","2004","23","25","6025","6030","10.1021/om049352v","","","","","","","","","","","","","","","","","","","","","has coordinates","209955","2020-10-21","18:00:00",""
"4061232","7.921","0.004","10.031","0.005","18.271","0.009","94.634","0.008","93.541","0.009","91.34","0.009","1443.7","1.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Mn O4 P2 -","- C32 H31 Mn O4 P2 -","- C64 H62 Mn2 O8 P4 -","2","1","","Darensbourg, Donald J.; Ganguly, Poulomi; Billodeaux, Damon R.","Structural Characterization of Several (CO)3(dppp)MnX Derivatives, dppp = 1,3-Bis(diphenylphosphino)propane and X = H, OTs, OC2H5, Cl, Br, or N3. An Assessment of Their Efficacy for Catalyzing the Coupling of Carbon Dioxide and Epoxides","Organometallics","2004","23","25","6025","6030","10.1021/om049352v","","","","","","","","","","","","","","","","","","","","","has coordinates","209955","2020-10-21","18:00:00",""
"4061233","9.9382","0.0018","20.643","0.003","13.666","0.003","90","","105.871","0.003","90","","2696.8","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl Mn O3 P2 -","- C30 H26 Cl Mn O3 P2 -","- C120 H104 Cl4 Mn4 O12 P8 -","4","1","","Darensbourg, Donald J.; Ganguly, Poulomi; Billodeaux, Damon R.","Structural Characterization of Several (CO)3(dppp)MnX Derivatives, dppp = 1,3-Bis(diphenylphosphino)propane and X = H, OTs, OC2H5, Cl, Br, or N3. An Assessment of Their Efficacy for Catalyzing the Coupling of Carbon Dioxide and Epoxides","Organometallics","2004","23","25","6025","6030","10.1021/om049352v","","","","","","","","","","","","","","","","","","","","","has coordinates","209955","2020-10-21","18:00:00",""
"4061234","10.073","0.004","20.612","0.008","13.765","0.006","90","","106.551","0.007","90","","2739.4","1.9","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Br Mn O3 P2 -","- C30 H26 Br Mn O3 P2 -","- C120 H104 Br4 Mn4 O12 P8 -","4","1","","Darensbourg, Donald J.; Ganguly, Poulomi; Billodeaux, Damon R.","Structural Characterization of Several (CO)3(dppp)MnX Derivatives, dppp = 1,3-Bis(diphenylphosphino)propane and X = H, OTs, OC2H5, Cl, Br, or N3. An Assessment of Their Efficacy for Catalyzing the Coupling of Carbon Dioxide and Epoxides","Organometallics","2004","23","25","6025","6030","10.1021/om049352v","","","","","","","","","","","","","","","","","","","","","has coordinates","209955","2020-10-21","18:00:00",""
"4061235","12.826","0.003","17.209","0.004","15.102","0.003","90","","105.727","0.004","90","","3208.7","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Mn N3 O3 P2 -","- C36 H32 Mn N3 O3 P2 -","- C144 H128 Mn4 N12 O12 P8 -","4","1","","Darensbourg, Donald J.; Ganguly, Poulomi; Billodeaux, Damon R.","Structural Characterization of Several (CO)3(dppp)MnX Derivatives, dppp = 1,3-Bis(diphenylphosphino)propane and X = H, OTs, OC2H5, Cl, Br, or N3. An Assessment of Their Efficacy for Catalyzing the Coupling of Carbon Dioxide and Epoxides","Organometallics","2004","23","25","6025","6030","10.1021/om049352v","","","","","","","","","","","","","","","","","","","","","has coordinates","209955","2020-10-21","18:00:00",""
"4061236","9.208","0.003","11.424","0.003","20.779","0.006","90","","100.503","0.005","90","","2149.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Br2 N4 Ni2 -","- C46 H46 Br2 N4 Ni2 -","- C92 H92 Br4 N8 Ni4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049367t","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061237","9.008","0.001","11.122","0.001","13.541","0.002","73.925","0.002","76.381","0.002","84.357","0.002","1266.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Br2 N4 Ni2 -","- C54 H62 Br2 N4 Ni2 -","- C54 H62 Br2 N4 Ni2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049367t","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061238","13.674","0.005","13.35","0.005","16.997","0.007","90","","125.038","0.006","90","","2540.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 Br2 N4 Ni2 -","- C54 H62 Br2 N4 Ni2 -","- C108 H124 Br4 N8 Ni4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049367t","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061239","17.095","0.008","17.629","0.008","19.234","0.009","90","","90","","90","","5796","5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C70 H66 O2 P2 Pt -","- C70 H66 O2 P2 Pt -","- C280 H264 O8 P8 Pt4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049392z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061240","13.0163","0.0018","13.1132","0.0017","23.449","0.003","90","","97.932","0.002","90","","3964.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 Cl4 P2 Pt -","- C39 H50 Cl4 P2 Pt -","- C156 H200 Cl16 P8 Pt4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0494014","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061241","10.9829","0.0019","16.31","0.003","20.237","0.004","90","","93.715","0.004","90","","3617.5","1.1","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 B2 F4 N6 O2 P2 Ru -","- C34 H33 B2 F4 N6 O2 P2 Ru -","- C136 H132 B8 F16 N24 O8 P8 Ru4 -","4","1","","Man, Man Lok; Zhu, Jun; Ng, Siu Man; Zhou, Zhongyuan; Yin, Chuanqi; Lin, Zhenyang; Lau, Chak Po","Reactions of Hydrotris(pyrazolyl)borate (Tp)-Supported Ruthenium Dihydrogen Complexes [TpRu(L2)(H2)]+(L2= dppm, dppp, (PPh3)2) with O2","Organometallics","2004","23","26","6214","6220","10.1021/om049403o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","287990","2023-12-04","14:54:50",""
"4061242","15.394","0.002","15.884","0.002","17.029","0.002","90","","105.185","0.003","90","","4018.5","0.9","294","2","294","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 B2 Cl2 F4 N6 O2 P2 Ru -","- C37 H39 B2 Cl2 F4 N6 O2 P2 Ru -","- C148 H156 B8 Cl8 F16 N24 O8 P8 Ru4 -","4","1","","Man, Man Lok; Zhu, Jun; Ng, Siu Man; Zhou, Zhongyuan; Yin, Chuanqi; Lin, Zhenyang; Lau, Chak Po","Reactions of Hydrotris(pyrazolyl)borate (Tp)-Supported Ruthenium Dihydrogen Complexes [TpRu(L2)(H2)]+(L2= dppm, dppp, (PPh3)2) with O2","Organometallics","2004","23","26","6214","6220","10.1021/om049403o","","","","","","","","","","","","","","","","","","","","","has coordinates","287990","2023-12-04","14:54:50",""
"4061243","13.6698","0.0015","13.6698","0.0015","32.116","0.005","90","","90","","90","","6001.3","1.3","294","2","294","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C27 H28 B2 F4 N6 O2 P Ru -","- C27 H25 B2 F1.9995 N6 O2 P Ru -","- C216 H200 B16 F15.996 N48 O16 P8 Ru8 -","8","1","","Man, Man Lok; Zhu, Jun; Ng, Siu Man; Zhou, Zhongyuan; Yin, Chuanqi; Lin, Zhenyang; Lau, Chak Po","Reactions of Hydrotris(pyrazolyl)borate (Tp)-Supported Ruthenium Dihydrogen Complexes [TpRu(L2)(H2)]+(L2= dppm, dppp, (PPh3)2) with O2","Organometallics","2004","23","26","6214","6220","10.1021/om049403o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","287990","2023-12-04","14:54:50",""
"4061244","12.6299","0.0006","13.5296","0.0007","15.499","0.0008","75.975","0.001","80.759","0.001","89.513","0.001","2534.9","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H61 F12 N3 P2 Pd Ru2 S6 -","- C38 H61 F12 N3 P2 Pd Ru2 S6 -","- C76 H122 F24 N6 P4 Pd2 Ru4 S12 -","2","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong; Webster, Richard D.","[(Ln)Ru{?3-(tpdt)}] Complexes as Dithiolate Donors to Group 10 Metal Centers. Synthetic, Single Crystal X-ray and Elecrtrochemical Studies. {Ln = C6Me6 (HMB) and C5Me5 (Cp*); tpdt = S(CH2CH2)2S)2}.","Organometallics","2004","23","26","6108","6115","10.1021/om049407t","","","","","","","","","","","","","","","","","","","","","has coordinates","133679","2020-10-21","18:00:00",""
"4061245","9.3529","0.001","12.4153","0.0013","22.416","0.002","90","","93.236","0.002","90","","2598.7","0.5","223","2","223","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C38 H61 F12 N3 P2 Pt Ru2 S6 -","- C38 H61 F12 N3 P2 Pt Ru2 S6 -","- C76 H122 F24 N6 P4 Pt2 Ru4 S12 -","2","0.5","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong; Webster, Richard D.","[(Ln)Ru{?3-(tpdt)}] Complexes as Dithiolate Donors to Group 10 Metal Centers. Synthetic, Single Crystal X-ray and Elecrtrochemical Studies. {Ln = C6Me6 (HMB) and C5Me5 (Cp*); tpdt = S(CH2CH2)2S)2}.","Organometallics","2004","23","26","6108","6115","10.1021/om049407t","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061246","12.4542","0.0005","13.7573","0.0005","18.2964","0.0007","81.181","0.001","85.885","0.001","88.486","0.001","3089.4","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H63.5 F12 N2.5 P4 Pt Ru S3 -","- C57 H63.5 F12 N2.5 P4 Pt Ru S3 -","- C114 H127 F24 N5 P8 Pt2 Ru2 S6 -","2","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong; Webster, Richard D.","[(Ln)Ru{?3-(tpdt)}] Complexes as Dithiolate Donors to Group 10 Metal Centers. Synthetic, Single Crystal X-ray and Elecrtrochemical Studies. {Ln = C6Me6 (HMB) and C5Me5 (Cp*); tpdt = S(CH2CH2)2S)2}.","Organometallics","2004","23","26","6108","6115","10.1021/om049407t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061247","20.1037","0.0019","11.4743","0.0011","25.903","0.003","90","","92.489","0.002","90","","5969.6","1","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H53 F12 P4 Pt Ru S3 -","- C50 H53 F12 P4 Pt Ru S3 -","- C200 H212 F48 P16 Pt4 Ru4 S12 -","4","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong; Webster, Richard D.","[(Ln)Ru{?3-(tpdt)}] Complexes as Dithiolate Donors to Group 10 Metal Centers. Synthetic, Single Crystal X-ray and Elecrtrochemical Studies. {Ln = C6Me6 (HMB) and C5Me5 (Cp*); tpdt = S(CH2CH2)2S)2}.","Organometallics","2004","23","26","6108","6115","10.1021/om049407t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178509","2020-10-21","18:00:00",""
"4061248","12.2103","0.0004","17.5255","0.0006","22.4514","0.0008","71.561","0.001","75.592","0.001","72.138","0.001","4276.3","0.3","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H43.5 F12 N0.5 P2 Pd Ru2 S6 -","- C29 H43.5 F12 N0.5 P2 Pd Ru2 S6 -","- C116 H174 F48 N2 P8 Pd4 Ru8 S24 -","4","2","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong; Webster, Richard D.","[(Ln)Ru{?3-(tpdt)}] Complexes as Dithiolate Donors to Group 10 Metal Centers. Synthetic, Single Crystal X-ray and Elecrtrochemical Studies. {Ln = C6Me6 (HMB) and C5Me5 (Cp*); tpdt = S(CH2CH2)2S)2}.","Organometallics","2004","23","26","6108","6115","10.1021/om049407t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061249","10.2783","0.0012","25.882","0.003","10.1807","0.0012","90","","112.954","0.002","90","","2493.8","0.5","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56.5 F12 N3.5 O0.5 P2 Pt Ru2 S6 -","- C35 H56.5 F12 N3.5 O0.5 P2 Pt Ru2 S6 -","- C70 H113 F24 N7 O P4 Pt2 Ru4 S12 -","2","0.5","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong; Webster, Richard D.","[(Ln)Ru{?3-(tpdt)}] Complexes as Dithiolate Donors to Group 10 Metal Centers. Synthetic, Single Crystal X-ray and Elecrtrochemical Studies. {Ln = C6Me6 (HMB) and C5Me5 (Cp*); tpdt = S(CH2CH2)2S)2}.","Organometallics","2004","23","26","6108","6115","10.1021/om049407t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061250","9.502","0.003","9.974","0.003","19.771","0.006","90","","111.98","0.02","90","","1737.5","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H37 Cl O P2 Ru -","- C41 H37 Cl O P2 Ru -","- C82 H74 Cl2 O2 P4 Ru2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049408l","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061251","21.735","0.005","10.385","0.003","37.589","0.006","90","","94.5","0.02","90","","8458","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H49 Cl O1.5 P3 Ru -","- C49 H49 Cl O1.5 P3 Ru -","- C392 H392 Cl8 O12 P24 Ru8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049408l","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061252","13.0687","0.0006","13.7345","0.0006","18.4915","0.0007","110.983","0.002","104.348","0.002","90.063","0.003","2987.5","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C68.5 H64.5 F6 N O P3 Ru -","- C68.5 H64.5 F6 N O P3 Ru -","- C137 H129 F12 N2 O2 P6 Ru2 -","2","1","","Josefina Díez Viñuela","Indenyl ruthenium(II) aminoallenylidenes: a new building-block for the synthesis of highly unsaturated alkynyl and allenylidene complexes","Organometallics","2004","","","","","10.1021/om049413p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061253","11.874","0.003","11.629","0.003","14.032","0.002","90","","114.85","0.02","90","","1758.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cl3 Cr N3 -","- C15 H19 Cl3 Cr N3 -","- C60 H76 Cl12 Cr4 N12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0494162","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061254","12.45","0.002","7.039","0.001","24.024","0.002","90","","96.01","0.01","90","","2093.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl3 Cr N3 -","- C18 H25 Cl3 Cr N3 -","- C72 H100 Cl12 Cr4 N12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0494162","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178509","2020-10-21","18:00:00",""
"4061255","8.375","0.008","8.914","0.008","15.176","0.014","104.68","0.02","97.136","0.017","97.041","0.017","1073.4","1.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cl3 Cr N4 -","- C19 H26 Cl3 Cr N4 -","- C38 H52 Cl6 Cr2 N8 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0494162","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061256","11.896","0.001","12.036","0.002","15.359","0.002","90","","90","","90","","2199.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl3 Cr N3 -","- C20 H29 Cl3 Cr N3 -","- C80 H116 Cl12 Cr4 N12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0494162","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061257","5.428","0.002","22.986","0.01","21.607","0.009","90","","95.415","0.007","90","","2683.6","1.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H24 N4 Si -","- C32 H20 N4 Si -","- C128 H80 N16 Si4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0494216","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061258","15.192","0.006","22.41","0.01","11.173","0.005","90","","90","","90","","3804","3","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C38 H30 N6 Si -","- C38 H30 N6 Si -","- C152 H120 N24 Si4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0494216","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061259","13.004","0.011","14.475","0.012","18.847","0.016","99.195","0.017","91.799","0.016","100.804","0.018","3433","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H74 N4 O3 Si -","- C84 H62 N4 O3 Si -","- C168 H124 N8 O6 Si2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0494216","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061260","7.779","0.002","8.392","0.002","21.338","0.006","90","","90","","90","","1392.9","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Fe -","- C20 H16 Fe -","- C80 H64 Fe4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049430e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061261","8.645","0.004","9.245","0.004","13.633","0.006","74.375","0.006","74.739","0.006","84.048","0.006","1011.6","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 Fe -","- C30 H22 Fe -","- C60 H44 Fe2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049430e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061262","6.486","0.002","11.683","0.004","15.999","0.006","73.586","0.005","82.831","0.006","75.121","0.005","1122.2","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 Fe -","- C32 H26 Fe -","- C64 H52 Fe2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049430e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061263","8.833","0.003","11.547","0.004","12.352","0.004","104.232","0.005","102.839","0.005","97.876","0.005","1165.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 Fe Si2 -","- C28 H28 Fe Si2 -","- C56 H56 Fe2 Si4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049430e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061264","9.082","0.001","11.1281","0.001","8.7645","0.001","100.75","0.02","113.69","0.01","69.83","0.01","760.21","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H21 F6 O P -","- C12 H21 F6 O P -","- C24 H42 F12 O2 P2 -","2","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061265","11.2296","0.0017","9.6565","0.0014","14.819","0.002","90","","106.727","0.002","90","","1539","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 F6 Ir0.5 O P -","- C12 H20 F6 Ir0.5 O P -","- C48 H80 F24 Ir2 O4 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061266","11.2311","0.0019","9.6227","0.0017","14.919","0.003","90","","107.02","0.004","90","","1541.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20.5 F6 Ir0.5 O P -","- C12 H20.5 F6 Ir0.5 O P -","- C48 H82 F24 Ir2 O4 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061267","9.4912","0.0008","21.647","0.002","15.9761","0.0015","90","","105.149","0.0019","90","","3168.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 F12 Ir O2 P2 -","- C24 H43 F12 Ir O2 P2 -","- C96 H172 F48 Ir4 O8 P8 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061268","9.4579","0.0008","13.6204","0.0012","14.8067","0.0013","73.913","0.0015","74.578","0.0015","84.441","0.0015","1766.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H41 F12 Ir N O2 P -","- C32 H41 F12 Ir N O2 P -","- C64 H82 F24 Ir2 N2 O4 P2 -","2","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061269","10.8837","0.0015","11.9141","0.0016","13.6025","0.0018","100.636","0.003","98.217","0.003","94.766","0.003","1704.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 Cl F12 Ir N2 O2 -","- C33 H30 Cl F12 Ir N2 O2 -","- C66 H60 Cl2 F24 Ir2 N4 O4 -","2","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061270","9.043","0.004","9.584","0.004","10.967","0.005","83.273","0.007","70.193","0.007","64.639","0.007","807.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12.5 H12.5 F6 Ir0.5 O1.5 P -","- C12.5 H20.5 F6 Ir0.5 O1.5 P -","- C25 H41 F12 Ir O3 P2 -","2","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209954","2020-10-21","18:00:00",""
"4061271","22.181","0.008","19.728","0.007","21.614","0.007","90","","105.5","0.006","90","","9114","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H65 F12 Ir N2 O3.5 P2 -","- C39 H61 F12 Ir N2 O3.5 P2 -","- C312 H488 F96 Ir8 N16 O28 P16 -","8","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209954","2020-10-21","18:00:00",""
"4061272","8.9","0.0008","12.8523","0.0012","27.71","0.003","90","","91.7441","0.0019","90","","3168.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 F12 Ir O3 P2 -","- C25 H41 F12 Ir O3 P2 -","- C100 H164 F48 Ir4 O12 P8 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061273","8.856","0.0009","9.3124","0.0009","11.1189","0.0011","65.715","0.002","75.941","0.002","65.218","0.002","756.11","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 F12 Ir O2 P2 -","- C24 H39.062 F12 Ir O2 P2 -","- C24 H39.062 F12 Ir O2 P2 -","1","0.5","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209954","2020-10-21","18:00:00",""
"4061274","9.9034","0.0008","11.1101","0.0009","15.6891","0.0013","72.223","0.002","89.903","0.002","73.369","0.002","1568.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H39 F12 Ir O3 P2 -","- C25 H39 F12 Ir O3 P2 -","- C50 H78 F24 Ir2 O6 P4 -","2","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061275","15.111","0.004","12.496","0.004","15.398","0.004","90","","98.374","0.005","90","","2876.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 F24 Ir2 O10 P4 -","- C40 H60 F24 Ir2 O10 P4 -","- C80 H120 F48 Ir4 O20 P8 -","2","0.5","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061276","8.1314","0.0007","14.1976","0.0012","15.3965","0.0014","96.42","0.002","102.508","0.002","104.22","0.002","1656.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H27 O2 P -","- C16 H27 O2 P -","- C64 H108 O8 P4 -","4","2","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061277","12.3338","0.0011","21.523","0.002","14.1769","0.0013","90","","97.324","0.002","90","","3732.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Ir O4 P2 -","- C36 H60 Ir O4 P2 -","- C144 H240 Ir4 O16 P8 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209954","2020-10-21","18:00:00",""
"4061278","8.1966","0.0008","8.6598","0.0009","12.0745","0.0012","78.0812","0.0016","88.8327","0.0017","69.7442","0.0015","785.5","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H49 Ir O4 P2 -","- C30 H49 Ir O4 P2 -","- C30 H49 Ir O4 P2 -","1","0.5","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209954","2020-10-21","18:00:00",""
"4061279","9.7988","0.0011","12.3642","0.0014","26.219","0.003","90","","94.735","0.002","90","","3165.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H47 Cl Ir O4 P2 -","- C30 H47 Cl Ir O4 P2 -","- C120 H188 Cl4 Ir4 O16 P8 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061280","9.006","0.001","12.0664","0.0013","17.0127","0.0019","90","","100.517","0.002","90","","1817.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Ir0.5 O3 P -","- C18 H29 Ir0.5 O3 P -","- C72 H116 Ir2 O12 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity","Organometallics","2004","23","25","6031","6041","10.1021/om049444k","","","","","","","","","","","","","","","","","","","","","has coordinates","209954","2020-10-21","18:00:00",""
"4061281","9.7421","0.0007","11.9068","0.0008","16.4702","0.0011","90","","90","","90","","1910.5","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 N2 Ru S2 -","- C18 H30 N2 Ru S2 -","- C72 H120 N8 Ru4 S8 -","4","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates","133680","2020-10-21","18:00:00",""
"4061282","17.7539","0.0011","11.8517","0.0008","13.7702","0.0009","90","","90","","90","","2897.4","0.3","223","2","223","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H34 F12 N2 O2 P2 Ru S2 -","- C19 H34 F12 N2 O2 P2 Ru S2 -","- C76 H136 F48 N8 O8 P8 Ru4 S8 -","4","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133680","2020-10-21","18:00:00",""
"4061283","10.1429","0.0005","10.6403","0.0005","16.5359","0.0008","108.21","0.001","98.132","0.001","93.963","0.001","1665.96","0.14","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H41 F12 N3 O4 P2 Ru S2 -","- C22 H41 F12 N3 O4 P2 Ru S2 -","- C44 H82 F24 N6 O8 P4 Ru2 S4 -","2","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133680","2020-10-21","18:00:00",""
"4061284","16.937","0.001","16.8727","0.001","19.7224","0.0012","90","","90","","90","","5636.1","0.6","223","2","223","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C19 H36 F6 I N2 O2 P Ru S2 -","- C19 H36 F6 I N2 O2 P Ru S2 -","- C152 H288 F48 I8 N16 O16 P8 Ru8 S16 -","8","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates","133680","2020-10-21","18:00:00",""
"4061285","10.0476","0.0005","18.5151","0.0009","24.9301","0.0012","90","","90","","90","","4637.8","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H32 F6 N P Ru S2 -","- C19 H32 F6 N P Ru S2 -","- C152 H256 F48 N8 P8 Ru8 S16 -","8","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133680","2020-10-21","18:00:00",""
"4061286","16.7659","0.0005","16.7659","0.0005","45.705","0.003","90","","90","","120","","11126.3","0.8","223","2","223","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C25.67 H41.5 Br F6 N2.83 P Ru S2 -","- C25.6667 H41.99 Br F6 N2.83333 P Ru S2 -","- C308 H503.88 Br12 F72 N34 P12 Ru12 S24 -","12","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061287","8.9741","0.0005","16.8112","0.0009","15.8708","0.0008","90","","92.587","0.001","90","","2391.9","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 F6 N P Ru S2 -","- C20 H34 F6 N P Ru S2 -","- C80 H136 F24 N4 P4 Ru4 S8 -","4","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178509","2020-10-21","18:00:00",""
"4061288","12.3846","0.0007","13.8429","0.0007","13.7618","0.0008","90","","107.047","0.001","90","","2255.6","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 F6 N P Ru S2 -","- C18 H30 F6 N P Ru S2 -","- C72 H120 F24 N4 P4 Ru4 S8 -","4","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178509","2020-10-21","18:00:00",""
"4061289","17.947","0.003","21.283","0.004","12.559","0.002","90","","102.396","0.004","90","","4685.5","1.4","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H31.5 F6 N1.5 O P Ru S2 -","- C18.5 H31.5 F6 N1.5 O P Ru S2 -","- C148 H252 F48 N12 O8 P8 Ru8 S16 -","8","2","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061290","18.383","0.0009","21.1216","0.0011","12.5607","0.0006","90","","101.832","0.001","90","","4773.4","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33.5 F6 N1.5 P Ru S2 -","- C20 H33.5 F6 N1.5 P Ru S2 -","- C160 H268 F48 N12 P8 Ru8 S16 -","8","2","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4061291","14.0615","0.0008","17.1605","0.0009","9.5865","0.0005","90","","90","","90","","2313.2","0.2","193","2","193","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C47 H74 F5 N O P2 Pd -","- C47 H74 F5 N O P2 Pd -","- C94 H148 F10 N2 O2 P4 Pd2 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049448p","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061292","8.71","0.0002","13.034","0.0004","12.038","0.0002","90","","95.954","0.0015","90","","1359.26","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H42 F5 N P2 Pd -","- C23 H42 F5 N P2 Pd -","- C46 H84 F10 N2 P4 Pd2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049448p","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061293","19.5509","0.001","9.6008","0.0005","23.0223","0.0011","90","","94.231","0.001","90","","4309.6","0.4","115","2","115","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Cl2 F5 N P2 Pt -","- C42 H68 Cl2 F5 N P2 Pt -","- C168 H272 Cl8 F20 N4 P8 Pt4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049448p","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061294","9.5184","0.0005","19.6473","0.0009","21.8841","0.0011","90","","100.981","0.001","90","","4017.6","0.3","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H67 F4 N P2 Pt -","- C41 H67 F4 N P2 Pt -","- C164 H268 F16 N4 P8 Pt4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049448p","","","","","","","","","","","","","","","","","","","","","has coordinates","178509","2020-10-21","18:00:00",""
"4061295","8.301","0.003","33.766","0.01","9.622","0.003","90","","109.788","0.004","90","","2537.6","1.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl2 N6 Ni O2 -","- C22 H30 Cl2 N6 Ni O2 -","- C88 H120 Cl8 N24 Ni4 O8 -","4","1","","Wang, Xin; Liu, Shuang; Jin, Guo-Xin","Preparation, Structure, and Olefin Polymerization Behavior of Functionalized Nickel(II) N-Heterocyclic Carbene Complexes","Organometallics","2004","23","25","6002","6007","10.1021/om049467z","","","","","","","","","","","","","","","","","","","","","has coordinates","209956","2020-10-21","18:00:00",""
"4061296","11.861","0.004","12.744","0.004","13.811","0.004","95.772","0.004","105.255","0.004","115.401","0.004","1763.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 Cl2 N6 Ni O4 -","- C35 H30 Cl2 N6 Ni O4 -","- C70 H60 Cl4 N12 Ni2 O8 -","2","1","","Wang, Xin; Liu, Shuang; Jin, Guo-Xin","Preparation, Structure, and Olefin Polymerization Behavior of Functionalized Nickel(II) N-Heterocyclic Carbene Complexes","Organometallics","2004","23","25","6002","6007","10.1021/om049467z","","","","","","","","","","","","","","","","","","","","","has coordinates","209956","2020-10-21","18:00:00",""
"4061297","18.832","0.004","6.332","0.001","13.685","0.003","90","","90","","90","","1631.8","0.6","113.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H24 O6 Si3 -","- C9 H24 O6 Si3 -","- C36 H96 O24 Si12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0494972","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061298","10.332","0.0002","17.137","0.0005","13.11","0.0004","90","","106.695","0.001","90","","2223.4","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl2 N P Pd S -","- C23 H26 Cl2 N P Pd S -","- C92 H104 Cl8 N4 P4 Pd4 S4 -","4","1","","Leca, François; Lescop, Christophe; Toupet, Loïc; Réau, Régis","A New Family of P,N-Chelates: Stereoselective Synthesis of 2-Pyridyl-2-phospholenes in the Coordination Sphere of Pd(II)-Complexes.","Organometallics","2004","23","26","6191","6201","10.1021/om049510i","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061299","14.985","0.005","9.785","0.005","37.375","0.005","90","","98.388","0.005","90","","5422","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H24 Cl5 N2 P Pd -","- C25.5 H24 Cl5 N2 P Pd -","- C204 H192 Cl40 N16 P8 Pd8 -","8","1","","Leca, François; Lescop, Christophe; Toupet, Loïc; Réau, Régis","A New Family of P,N-Chelates: Stereoselective Synthesis of 2-Pyridyl-2-phospholenes in the Coordination Sphere of Pd(II)-Complexes.","Organometallics","2004","23","26","6191","6201","10.1021/om049510i","","","","","","","","","","","","","","","","","","","","","has coordinates","271475","2021-12-16","11:44:26",""
"4061300","8.717","0.0002","16.236","0.0003","18.907","0.0004","90","","90","","90","","2675.89","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Cl4 N2 P Pd -","- C25 H29 Cl4 N2 P Pd -","- C100 H116 Cl16 N8 P4 Pd4 -","4","1","","Leca, François; Lescop, Christophe; Toupet, Loïc; Réau, Régis","A New Family of P,N-Chelates: Stereoselective Synthesis of 2-Pyridyl-2-phospholenes in the Coordination Sphere of Pd(II)-Complexes.","Organometallics","2004","23","26","6191","6201","10.1021/om049510i","","","","","","","","","","","","","","","","","","","","","has coordinates","133624","2020-10-21","18:00:00",""
"4061301","21.587","0.005","8.979","0.005","26.183","0.005","90","","104.844","0.005","90","","4906","3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H22 Cl2 N P Pd -","- C25 H22 Cl2 N P Pd -","- C200 H176 Cl16 N8 P8 Pd8 -","8","1","","Leca, François; Lescop, Christophe; Toupet, Loïc; Réau, Régis","A New Family of P,N-Chelates: Stereoselective Synthesis of 2-Pyridyl-2-phospholenes in the Coordination Sphere of Pd(II)-Complexes.","Organometallics","2004","23","26","6191","6201","10.1021/om049510i","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061302","10.866","0.005","15.475","0.005","16.973","0.005","90","","106.722","0.005","90","","2733.3","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H26 Cl3 N P Pd S -","- C23.5 H26 Cl3 N P Pd S -","- C94 H104 Cl12 N4 P4 Pd4 S4 -","4","1","","Leca, François; Lescop, Christophe; Toupet, Loïc; Réau, Régis","A New Family of P,N-Chelates: Stereoselective Synthesis of 2-Pyridyl-2-phospholenes in the Coordination Sphere of Pd(II)-Complexes.","Organometallics","2004","23","26","6191","6201","10.1021/om049510i","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4061303","9.504","0.005","17.436","0.005","15.476","0.005","90","","96.23","0.005","90","","2549.4","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl4 N P Pt S -","- C24 H22 Cl4 N P Pt S -","- C96 H88 Cl16 N4 P4 Pt4 S4 -","4","1","","Leca, François; Lescop, Christophe; Toupet, Loïc; Réau, Régis","A New Family of P,N-Chelates: Stereoselective Synthesis of 2-Pyridyl-2-phospholenes in the Coordination Sphere of Pd(II)-Complexes.","Organometallics","2004","23","26","6191","6201","10.1021/om049510i","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061304","15.2997","0.0009","19.8498","0.0007","21.98","0.002","71.112","0.006","88.849","0.003","70.01","0.001","5904.5","0.7","153.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C116 H98 Cl4 F6 N8 Na O2 P7 Pt2 -","- C116 H90 Cl4 F6 N8 Na O2 P7 Pt2 -","- C232 H180 Cl8 F12 N16 Na2 O4 P14 Pt4 -","2","1","","Goto, Eri; Usuki, Miho; Takenaka, Hiroe; Sakai, Ken; Tanase, Tomoaki","Electron-Rich Diplatinum(0) Metallocryptate Promoting Novel Successive Encapsulation of Acidic Hydrides","Organometallics","2004","23","25","6042","6051","10.1021/om049548v","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061305","17.0841","0.0009","18.063","0.002","18.5949","0.0008","83.871","0.008","74.999","0.008","89.986","0.009","5508.8","0.6","153.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C116 H96 Cl4 F12 N8 Na O0.5 P8 Pt2 -","- C116 H91 Cl4 F12 N8 Na O0.5 P8 Pt2 -","- C232 H182 Cl8 F24 N16 Na2 O P16 Pt4 -","2","1","","Goto, Eri; Usuki, Miho; Takenaka, Hiroe; Sakai, Ken; Tanase, Tomoaki","Electron-Rich Diplatinum(0) Metallocryptate Promoting Novel Successive Encapsulation of Acidic Hydrides","Organometallics","2004","23","25","6042","6051","10.1021/om049548v","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061306","23.0221","0.0007","28.1459","0.0008","18.2233","0.0005","90","","90.151","0.001","90","","11808.3","0.6","153.2","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C119.5 H106 Cl3 F18 N8 Na O1.5 P9 Pt2 -","- C119.5 H92 Cl3 F18 N8 Na O1.5 P9 Pt2 -","- C478 H368 Cl12 F72 N32 Na4 O6 P36 Pt8 -","4","1","","Goto, Eri; Usuki, Miho; Takenaka, Hiroe; Sakai, Ken; Tanase, Tomoaki","Electron-Rich Diplatinum(0) Metallocryptate Promoting Novel Successive Encapsulation of Acidic Hydrides","Organometallics","2004","23","25","6042","6051","10.1021/om049548v","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061307","15.366","0.001","19.9417","0.0004","22.096","0.002","70.81","0.01","88.8","0.02","70.33","0.01","5990","1","153.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C117 H104 Cl6 F6 N8 Na O4 P7 Pd2 -","- C117 H90 Cl6 F6 N8 Na O4 P7 Pd2 -","- C234 H180 Cl12 F12 N16 Na2 O8 P14 Pd4 -","2","1","","Goto, Eri; Usuki, Miho; Takenaka, Hiroe; Sakai, Ken; Tanase, Tomoaki","Electron-Rich Diplatinum(0) Metallocryptate Promoting Novel Successive Encapsulation of Acidic Hydrides","Organometallics","2004","23","25","6042","6051","10.1021/om049548v","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061308","9.0541","0.0005","13.2183","0.0007","13.4469","0.0008","87.23","0.005","80.546","0.004","78.996","0.004","1558.04","0.15","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H104 Al2 N8 -","- C66 H104 Al2 N8 -","- C66 H104 Al2 N8 -","1","0.5","","Kumar, S. Shravan; Singh, Sanjay; Hongjun, Fan; Roesky, Herbert W.; Vidovic, Denis; Magull, Jörg","A Planar Dimeric Six-Membered Spirane Aluminum Hydrazide: Synthesis, X-ray Crystal Structure and Theoretical Studies of [LAlN(Me)NH]~2~ (L = HC{(2,6-iPr2C6H3N)(CMe)}~2~)","Organometallics","2004","23","26","6327","6329","10.1021/om049560n","","","","","","","","","","","","","","","","","","","","","has coordinates","133626","2020-10-21","18:00:00",""
"4061309","11.134","0.0003","11.283","0.0003","18.622","0.0005","80.504","0.0015","75.354","0.0017","82.767","0.0016","2223.65","0.1","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C46.5 H52 Cl2 N2 O0.5 P2 Ru -","- C44.5 H48 Cl2 N2 P2 Ru -","- C89 H96 Cl4 N4 P4 Ru2 -","2","1","","Li, Tianshu; Churlaud, Raphaël; Lough, Alan J.; Abdur-Rashid, Kamaluddin; Morris, Robert H.","Dihydridoamine and Hydridoamido Complexes of Ruthenium(II) with a Tetradentate P‒N‒N‒P Donor Ligand","Organometallics","2004","23","26","6239","6247","10.1021/om049565k","","","","","","","","","","","","","","","","","","","","","has coordinates","203898","2020-10-21","18:00:00",""
"4061310","9.3224","0.0001","12.9914","0.0001","33.9421","0.0004","90","","94.899","0.006","90","","4095.74","0.07","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N2 O P2 Ru -","- C48 H54 N2 O P2 Ru -","- C192 H216 N8 O4 P8 Ru4 -","4","1","","Li, Tianshu; Churlaud, Raphaël; Lough, Alan J.; Abdur-Rashid, Kamaluddin; Morris, Robert H.","Dihydridoamine and Hydridoamido Complexes of Ruthenium(II) with a Tetradentate P‒N‒N‒P Donor Ligand","Organometallics","2004","23","26","6239","6247","10.1021/om049565k","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061311","11.295","0.0002","12.047","0.0002","14.908","0.0002","75.772","0.0008","80.789","0.0008","75.809","0.0006","1895.53","0.05","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N2 P2 Ru -","- C44 H48 N2 P2 Ru -","- C88 H96 N4 P4 Ru2 -","2","1","","Li, Tianshu; Churlaud, Raphaël; Lough, Alan J.; Abdur-Rashid, Kamaluddin; Morris, Robert H.","Dihydridoamine and Hydridoamido Complexes of Ruthenium(II) with a Tetradentate P–N–N–P Donor Ligand","Organometallics","2004","23","26","6239","6247","10.1021/om049565k","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061312","11.398","0.0005","9.07","0.0002","35.61","0.0013","90","","94.718","0.0014","90","","3668.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H43 Cl N2 P2 Ru -","- C44 H43 Cl N2 P2 Ru -","- C176 H172 Cl4 N8 P8 Ru4 -","4","1","","Li, Tianshu; Churlaud, Raphaël; Lough, Alan J.; Abdur-Rashid, Kamaluddin; Morris, Robert H.","Dihydridoamine and Hydridoamido Complexes of Ruthenium(II) with a Tetradentate P‒N‒N‒P Donor Ligand","Organometallics","2004","23","26","6239","6247","10.1021/om049565k","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061313","7.7235","0.0009","11.7744","0.0016","12.83","0.0018","88.313","0.006","79.831","0.007","72.316","0.007","1093.8","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 Fe Ge -","- C27 H28 Fe Ge -","- C54 H56 Fe2 Ge2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049650s","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061314","7.333","0.0004","8.526","0.0005","14.288","0.001","74.826","0.004","89.732","0.004","66.607","0.004","786.31","0.08","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 Fe Ge -","- C17 H24 Fe Ge -","- C34 H48 Fe2 Ge2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049650s","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061315","12.138","0.003","11.4142","0.0008","16.3104","0.0014","90","","100.666","0.011","90","","2220.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 Fe Sn -","- C23 H36 Fe Sn -","- C92 H144 Fe4 Sn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049650s","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061316","7.9662","0.0002","12.5838","0.0002","14.0272","0.0004","93.573","0.015","91.389","0.014","101.775","0.015","1372.91","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 Fe Sn -","- C33 H40 Fe Sn -","- C66 H80 Fe2 Sn2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049650s","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061317","9.0434","0.0004","13.9146","0.0005","13.0246","0.0006","90","","97.815","0.002","90","","1623.73","0.12","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Fe Sn -","- C17 H24 Fe Sn -","- C68 H96 Fe4 Sn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049650s","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061318","9.9871","0.0006","11.5504","0.0007","12.4486","0.0005","66.703","0.003","75.478","0.003","69.329","0.002","1223.65","0.12","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 Cl Fe Sn -","- C23 H37 Cl Fe Sn -","- C46 H74 Cl2 Fe2 Sn2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049650s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061319","9.1561","0.0003","13.8154","0.0005","21.3416","0.0006","90","","96.483","0.002","90","","2682.35","0.15","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 F3 Fe O3 S Sn -","- C24 H37 F3 Fe O3 S Sn -","- C96 H148 F12 Fe4 O12 S4 Sn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049650s","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061320","11.8443","0.001","18.6502","0.0015","24.072","0.002","90","","103.482","0.002","90","","5170.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(por)PdAcCl","","","- C61 H45 Cl3 N4 O2 Pd -","- C61 H45 Cl3 N4 O2 Pd -","- C244 H180 Cl12 N16 O8 Pd4 -","4","1","","Setsune, Jun-ichiro; Yamauchi, Takashi; Tanikawa, Sachiko; Hirose, Yuka; Watanabe, Jun-ya","Insertion of CO and Alkenes into the (methyl)Pd Complexes of the Bidentate Porphyrin Ligand","Organometallics","2004","23","25","6058","6065","10.1021/om049783d","","","","","","","","","","","","","","","","","","","","","has coordinates","209953","2020-10-21","18:00:00",""
"4061321","12.1606","0.0013","13.6413","0.0015","16.8606","0.0018","107.8","0.002","98.264","0.002","90.747","0.002","2630.6","0.5","135","2","135","2","","","","","","","","6","P -1","-P 1","2","(por)PdMeCOClO4","","","- C64 H49.5 Cl N4 O6 Pd -","- C64 H51 Cl N4 O6 Pd -","- C128 H102 Cl2 N8 O12 Pd2 -","2","1","","Setsune, Jun-ichiro; Yamauchi, Takashi; Tanikawa, Sachiko; Hirose, Yuka; Watanabe, Jun-ya","Insertion of CO and Alkenes into the (methyl)Pd Complexes of the Bidentate Porphyrin Ligand","Organometallics","2004","23","25","6058","6065","10.1021/om049783d","","","","","","","","","","","","","","","","","","","","","has coordinates","209953","2020-10-21","18:00:00",""
"4061322","10.263","0.008","18.676","0.015","14.737","0.012","90","","97.471","0.016","90","","2801","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eta-5-CpFe(CO)[P(C6H5)3] substituted para-carborane","","","- C26 H30 B10 Fe O P -","- C26 H30.5 B10 Fe O P -","- C104 H122 B40 Fe4 O4 P4 -","4","1","","Wedge, Timothy J.; Herzog, Axel; Huertas, Ramon; Lee, Mark W.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Metal‒Metal Communication through Carborane Cages Supporting Electroactive [η5-CpFe(CO)2] Substituents","Organometallics","2004","23","3","482","489","10.1021/om030514h","","","","","","","","","","","","","","","","","","","","","has coordinates","209900","2020-10-21","18:00:00",""
"4061323","8.1515","0.0019","11.133","0.003","12.275","0.003","90","","92.32","0.004","90","","1113","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B10 Fe2 O4 -","- C16 H20 B10 Fe2 O4 -","- C32 H40 B20 Fe4 O8 -","2","0.5","","Wedge, Timothy J.; Herzog, Axel; Huertas, Ramon; Lee, Mark W.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Metal‒Metal Communication through Carborane Cages Supporting Electroactive [η5-CpFe(CO)2] Substituents","Organometallics","2004","23","3","482","489","10.1021/om030514h","","","","","","","","","","","","","","","","","","","","","has coordinates","209900","2020-10-21","18:00:00",""
"4061324","13.781","0.002","12.539","0.002","13.112","0.002","90","","110.727","0.003","90","","2119","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B8 Fe2 O4 -","- C16 H18 B8 Fe2 O4 -","- C64 H72 B32 Fe8 O16 -","4","1","","Wedge, Timothy J.; Herzog, Axel; Huertas, Ramon; Lee, Mark W.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Metal‒Metal Communication through Carborane Cages Supporting Electroactive [η5-CpFe(CO)2] Substituents","Organometallics","2004","23","3","482","489","10.1021/om030514h","","","","","","","","","","","","","","","","","","","","","has coordinates","209900","2020-10-21","18:00:00",""
"4061325","10.742","0.006","10.964","0.006","11.486","0.006","79","0.01","69.61","0.01","72.21","0.01","1202","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N2 Si Ti -","- C25 H34 N2 Si Ti -","- C50 H68 N4 Si2 Ti2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om030543s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061326","23.208","0.005","12.423","0.003","14.28","0.003","90","","90","","90","","4117.1","1.6","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H29 N S Si Ti -","- C20 H29 N S Si Ti -","- C160 H232 N8 S8 Si8 Ti8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om030543s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061327","9.0105","0.0003","16.5882","0.0006","12.8672","0.0004","90","","95.933","0.001","90","","1912.93","0.11","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 Rh -","- C20 H35 Rh -","- C80 H140 Rh4 -","4","1","","Daugulis, Olafs; Brookhart, Maurice","Decarbonylation of Aryl Ketones Mediated by Bulky Cyclopentadienylrhodium Bis(ethylene) Complexes","Organometallics","2004","23","3","527","534","10.1021/om030563u","","","","","","","0.034","","","0.042","","","","","","","","","","","has coordinates","209909","2020-10-21","18:00:00",""
"4061328","31.3052","0.0007","39.2724","0.0009","8.9197","0.0002","90","","90","","90","","10966.1","0.4","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H41 O Rh -","- C32 H41 O Rh -","- C512 H656 O16 Rh16 -","16","1","","Daugulis, Olafs; Brookhart, Maurice","Decarbonylation of Aryl Ketones Mediated by Bulky Cyclopentadienylrhodium Bis(ethylene) Complexes","Organometallics","2004","23","3","527","534","10.1021/om030563u","","","","","","","0.033","","","0.032","","","","","","","","","","","has coordinates","209909","2020-10-21","18:00:00",""
"4061329","10.3565","0.0001","8.3648","0.0001","14.5157","0.0002","90","","105.689","0.001","90","","1210.65","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 Cl4 P Ru -","- C23 H25 Cl4 P Ru -","- C46 H50 Cl8 P2 Ru2 -","2","1","","Pinto, P.; Marconi, G.; Heinemann, F. W.; Zenneck, U.","Diastereoselective Formation of Chiral-At-Metal P-Tethered Arene Ruthenium(II) Complexes.","Organometallics","2004","","","","","10.1021/om0305768","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061330","9.1046","0.0002","14.5909","0.0003","20.4658","0.0005","90","","90","","90","","2718.8","0.1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 B Cl F4 N P Ru -","- C28 H30 B Cl F4 N P Ru -","- C112 H120 B4 Cl4 F16 N4 P4 Ru4 -","4","1","","Pinto, P.; Marconi, G.; Heinemann, F. W.; Zenneck, U.","Diastereoselective Formation of Chiral-At-Metal P-Tethered Arene Ruthenium(II) Complexes.","Organometallics","2004","","","","","10.1021/om0305768","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061331","10.6195","0.0002","14.7711","0.0003","17.2983","0.0003","90","","90","","90","","2713.44","0.09","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 B Cl F4 N P Ru -","- C27 H34 B Cl F4 N P Ru -","- C108 H136 B4 Cl4 F16 N4 P4 Ru4 -","4","1","","Pinto, P.; Marconi, G.; Heinemann, F. W.; Zenneck, U.","Diastereoselective Formation of Chiral-At-Metal P-Tethered Arene Ruthenium(II) Complexes.","Organometallics","2004","","","","","10.1021/om0305768","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061332","11.602","0.002","15.688","0.003","26.98","0.005","90.97","0.03","100.36","0.03","109","0.03","4552.3","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H26 Cl2 Mo2 O10 P2 S2 -","- C43 H26 Cl2 Mo2 O10 P2 S2 -","- C172 H104 Cl8 Mo8 O40 P8 S8 -","4","2","","","","Organometallics","2004","","","","","10.1021/om030595h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061333","8.9841","0.0018","19.67","0.004","8.8902","0.0018","90","","117.97","0.03","90","","1387.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 P2 S2 -","- C32 H24 P2 S2 -","- C64 H48 P4 S4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om030595h","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061334","9.332","0.0019","13.963","0.003","18.994","0.004","90","","101.47","0.03","90","","2425.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Cl2 O Ti -","- C23 H23 Cl2 O Ti -","- C92 H92 Cl8 O4 Ti4 -","4","1","","Zhang, Yuetao; Mu, Ying; Lv, Chunsheng; Li, Guanghua; Xu, Jiansheng; Zhang, Yanrong; Zhu, Dongsheng; Feng, Shouhua","Constrained Geometry Tetramethylcyclopentadienyl-phenoxytitanium Dichlorides: Template Synthesis, Structures and Catalytic Properties for Ethylene Polymerization","Organometallics","2004","","","","","10.1021/om0306022","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061335","10.197","0.003","10.197","0.003","38.678","0.018","90","","90","","90","","4022","2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H24 Cl2 O Ti -","- C19 H24 Cl2 O Ti -","- C152 H192 Cl16 O8 Ti8 -","8","1","","Zhang, Yuetao; Mu, Ying; Lv, Chunsheng; Li, Guanghua; Xu, Jiansheng; Zhang, Yanrong; Zhu, Dongsheng; Feng, Shouhua","Constrained Geometry Tetramethylcyclopentadienyl-phenoxytitanium Dichlorides: Template Synthesis, Structures and Catalytic Properties for Ethylene Polymerization","Organometallics","2004","","","","","10.1021/om0306022","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061336","19.691","0.002","11.4221","0.0013","8.9263","0.001","90","","90","","90","","2007.7","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 Cl2 O Ti -","- C21 H20 Cl2 O Ti -","- C84 H80 Cl8 O4 Ti4 -","4","1","","Zhang, Yuetao; Mu, Ying; Lv, Chunsheng; Li, Guanghua; Xu, Jiansheng; Zhang, Yanrong; Zhu, Dongsheng; Feng, Shouhua","Constrained Geometry Tetramethylcyclopentadienyl-phenoxytitanium Dichlorides: Template Synthesis, Structures and Catalytic Properties for Ethylene Polymerization","Organometallics","2004","","","","","10.1021/om0306022","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061337","7.0029","0.0006","15.1842","0.0009","11.504","0.0008","90","","91.296","0.006","90","","1222.95","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H17 B10 Si -","- C4 H17 B10 Si -","- C16 H68 B40 Si4 -","4","1","","Lee, Young-Joo; Lee, Jong-Dae; Kim, Sung-Joon; Yoo, Byung Woo; Ko, Jaejung; Suh, Il-Hwan; Cheong, Minserk; Kang, Sang Ook","Unusual Reactivities of Linear Disilanes with o-Carboranyl Unit","Organometallics","2004","23","3","490","497","10.1021/om0341146","","","","","","","","","","","","","","","","","","","","","has coordinates","209911","2020-10-21","18:00:00",""
"4061338","8.144","0.0006","12.5958","0.0006","13.4148","0.0009","90","","106.94","0.006","90","","1316.38","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H19 B10 Si -","- C5 H19 B10 Si -","- C20 H76 B40 Si4 -","4","1","","Lee, Young-Joo; Lee, Jong-Dae; Kim, Sung-Joon; Yoo, Byung Woo; Ko, Jaejung; Suh, Il-Hwan; Cheong, Minserk; Kang, Sang Ook","Unusual Reactivities of Linear Disilanes with o-Carboranyl Unit","Organometallics","2004","23","3","490","497","10.1021/om0341146","","","","","","","","","","","","","","","","","","","","","has coordinates","209911","2020-10-21","18:00:00",""
"4061339","16.052","0.0016","12.059","0.0009","16.6481","0.0014","90","","90.512","0.008","90","","3222.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H52 B10 P2 Pt Si2 -","- C18 H52 B10 P2 Pt Si2 -","- C72 H208 B40 P8 Pt4 Si8 -","4","1","","Lee, Young-Joo; Lee, Jong-Dae; Kim, Sung-Joon; Yoo, Byung Woo; Ko, Jaejung; Suh, Il-Hwan; Cheong, Minserk; Kang, Sang Ook","Unusual Reactivities of Linear Disilanes with o-Carboranyl Unit","Organometallics","2004","23","3","490","497","10.1021/om0341146","","","","","","","","","","","","","","","","","","","","","has coordinates","209911","2020-10-21","18:00:00",""
"4061340","8.7323","0.0017","19.005","0.004","19.217","0.004","90","","94.23","0.03","90","","3180.6","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H50 B10 O P2 Pt Si2 -","- C17 H50 B10 O P2 Pt Si2 -","- C68 H200 B40 O4 P8 Pt4 Si8 -","4","1","","Lee, Young-Joo; Lee, Jong-Dae; Kim, Sung-Joon; Yoo, Byung Woo; Ko, Jaejung; Suh, Il-Hwan; Cheong, Minserk; Kang, Sang Ook","Unusual Reactivities of Linear Disilanes with o-Carboranyl Unit","Organometallics","2004","23","3","490","497","10.1021/om0341146","","","","","","","","","","","","","","","","","","","","","has coordinates","209911","2020-10-21","18:00:00",""
"4061341","9.4518","0.0016","13.8412","0.0008","16.7537","0.0013","100.523","0.005","105.372","0.009","106.04","0.008","1952.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H56 B20 Si6 -","- C16 H56 B20 Si6 -","- C32 H112 B40 Si12 -","2","1","","Lee, Young-Joo; Lee, Jong-Dae; Kim, Sung-Joon; Yoo, Byung Woo; Ko, Jaejung; Suh, Il-Hwan; Cheong, Minserk; Kang, Sang Ook","Unusual Reactivities of Linear Disilanes with o-Carboranyl Unit","Organometallics","2004","23","3","490","497","10.1021/om0341146","","","","","","","","","","","","","","","","","","","","","has coordinates","209911","2020-10-21","18:00:00",""
"4061342","10.5643","0.0006","12.8852","0.0007","19.5098","0.001","90","","105.056","0.001","90","","2564.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 B10 Si3 -","- C16 H34 B10 Si3 -","- C64 H136 B40 Si12 -","4","1","","Lee, Young-Joo; Lee, Jong-Dae; Kim, Sung-Joon; Yoo, Byung Woo; Ko, Jaejung; Suh, Il-Hwan; Cheong, Minserk; Kang, Sang Ook","Unusual Reactivities of Linear Disilanes with o-Carboranyl Unit","Organometallics","2004","23","3","490","497","10.1021/om0341146","","","","","","","","","","","","","","","","","","","","","has coordinates","209911","2020-10-21","18:00:00",""
"4061343","17.129","0.004","8.542","0.002","19.27","0.006","90","","113.17","0.02","90","","2591.9","1.2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ferrole complex","","","- C26 H16 Fe2 O10 -","- C26 H16 Fe2 O10 -","- C104 H64 Fe8 O40 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0341395","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061344","11.576","0.004","9.8944","0.0008","14.564","0.003","90","","90.28","0.02","90","","1668.1","0.7","294","","294","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C13 H20 Cl0.5 N0.5 P Pd0.5 -","- C13 H20 Cl0.5 N0.5 P Pd0.5 -","- C52 H80 Cl2 N2 P4 Pd2 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034151x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061345","17.34","0.005","12.394","0.003","13.206","0.003","90","","90","","90","","2838.3","1.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H27 I2 N8 O Rh -","- C23 H27 I2 N8 O Rh -","- C92 H108 I8 N32 O4 Rh4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0341552","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061346","8.9319","0.0005","10.0666","0.0005","10.5719","0.0007","90.046","0.005","113.521","0.004","94.306","0.005","868.63","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H30 N2 O Si Ti -","- C13 H30 N2 O Si Ti -","- C26 H60 N4 O2 Si2 Ti2 -","2","1","","Kim, Sung-Joon; Choi, Dong-Woong; Lee, Young-Joo; Chae, Byung-Hoon; Ko, Jaejung; Kang, Sang Ook","Titanium Complexes Incorporating 1,1-Bis(tert-butylamido)-1-silacycloalkane Ligands: Generation of Alkyl Derivatives and Reactivity toward Molecular Oxygen","Organometallics","2004","23","3","559","567","10.1021/om034174b","","","","","","","","","","","","","","","","","","","","","has coordinates","209876","2020-10-21","18:00:00",""
"4061347","9.0485","0.0006","10.4505","0.0007","10.5315","0.0006","87.845","0.006","66.313","0.005","82.331","0.006","903.68","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H32 N2 O Si Ti -","- C14 H32 N2 O Si Ti -","- C28 H64 N4 O2 Si2 Ti2 -","2","1","","Kim, Sung-Joon; Choi, Dong-Woong; Lee, Young-Joo; Chae, Byung-Hoon; Ko, Jaejung; Kang, Sang Ook","Titanium Complexes Incorporating 1,1-Bis(tert-butylamido)-1-silacycloalkane Ligands: Generation of Alkyl Derivatives and Reactivity toward Molecular Oxygen","Organometallics","2004","23","3","559","567","10.1021/om034174b","","","","","","","","","","","","","","","","","","","","","has coordinates","209876","2020-10-21","18:00:00",""
"4061348","8.9914","0.0011","10.4085","0.0007","10.9796","0.0005","83.523","0.005","81.554","0.006","67.081","0.007","934.42","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H34 N2 O Si Ti -","- C15 H34 N2 O Si Ti -","- C30 H68 N4 O2 Si2 Ti2 -","2","1","","Kim, Sung-Joon; Choi, Dong-Woong; Lee, Young-Joo; Chae, Byung-Hoon; Ko, Jaejung; Kang, Sang Ook","Titanium Complexes Incorporating 1,1-Bis(tert-butylamido)-1-silacycloalkane Ligands: Generation of Alkyl Derivatives and Reactivity toward Molecular Oxygen","Organometallics","2004","23","3","559","567","10.1021/om034174b","","","","","","","","","","","","","","","","","","","","","has coordinates","209876","2020-10-21","18:00:00",""
"4061349","8.6178","0.0008","9.01","0.0006","12.1201","0.0012","93.4","0.007","98.586","0.009","102.25","0.007","905.31","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H30 N2 O Si Ti -","- C14 H30 N2 O Si Ti -","- C28 H60 N4 O2 Si2 Ti2 -","2","1","","Kim, Sung-Joon; Choi, Dong-Woong; Lee, Young-Joo; Chae, Byung-Hoon; Ko, Jaejung; Kang, Sang Ook","Titanium Complexes Incorporating 1,1-Bis(tert-butylamido)-1-silacycloalkane Ligands: Generation of Alkyl Derivatives and Reactivity toward Molecular Oxygen","Organometallics","2004","23","3","559","567","10.1021/om034174b","","","","","","","","","","","","","","","","","","","","","has coordinates","209876","2020-10-21","18:00:00",""
"4061350","9.0396","0.0013","13.9374","0.0007","14.3703","0.0006","80.857","0.004","80.421","0.008","83.29","0.008","1755","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H54 Cl2 N4 O2 Si2 Ti2 -","- C24 H54 Cl2 N4 O2 Si2 Ti2 -","- C48 H108 Cl4 N8 O4 Si4 Ti4 -","2","1","","Kim, Sung-Joon; Choi, Dong-Woong; Lee, Young-Joo; Chae, Byung-Hoon; Ko, Jaejung; Kang, Sang Ook","Titanium Complexes Incorporating 1,1-Bis(tert-butylamido)-1-silacycloalkane Ligands: Generation of Alkyl Derivatives and Reactivity toward Molecular Oxygen","Organometallics","2004","23","3","559","567","10.1021/om034174b","","","","","","","","","","","","","","","","","","","","","has coordinates","209876","2020-10-21","18:00:00",""
"4061351","9.3229","0.0009","13.1281","0.0007","13.8955","0.0005","90","","95.917","0.005","90","","1691.6","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 Cl2 N2 O Si Ti -","- C11 H24 Cl2 N2 O Si Ti -","- C44 H96 Cl8 N8 O4 Si4 Ti4 -","4","1","","Kim, Sung-Joon; Choi, Dong-Woong; Lee, Young-Joo; Chae, Byung-Hoon; Ko, Jaejung; Kang, Sang Ook","Titanium Complexes Incorporating 1,1-Bis(tert-butylamido)-1-silacycloalkane Ligands: Generation of Alkyl Derivatives and Reactivity toward Molecular Oxygen","Organometallics","2004","23","3","559","567","10.1021/om034174b","","","","","","","","","","","","","","","","","","","","","has coordinates","209876","2020-10-21","18:00:00",""
"4061352","33.134","0.0008","13.331","0.0003","25.532","0.0007","90","","95.021","0.001","90","","11234.4","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H43 B11 Br6 F Ir P2 -","- C43 H40 B11 Br6 F Ir P2 -","- C344 H320 B88 Br48 F8 Ir8 P16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om034177o","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061353","11.428","0.0002","14.4554","0.0003","22.7656","0.0006","78.747","0.001","88.057","0.001","67.047","0.001","3392.75","0.13","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H52 B11 Br6 Cl12 Ir P2 -","- C47 H51 B11 Br6.08 Cl12 Ir P2 -","- C94 H102 B22 Br12.16 Cl24 Ir2 P4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034177o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061354","8.315","0.004","12.634","0.006","12.828","0.006","102.198","0.008","104.316","0.008","93.127","0.009","1268.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H68 N6 Ni O2 -","- C56 H68 N6 Ni O2 -","- C56 H68 N6 Ni O2 -","1","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061355","8.4526","0.0018","12.53","0.003","12.852","0.003","101.837","0.005","105.436","0.004","92.855","0.005","1276.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H68 N6 O2 Pd -","- C56 H68 N6 O2 Pd -","- C56 H68 N6 O2 Pd -","1","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061356","11.024","0.003","26.777","0.008","8.148","0.003","90","","101.626","0.005","90","","2355.9","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 N6 Pt -","- C54 H60 N6 Pt -","- C108 H120 N12 Pt2 -","2","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061357","10.938","0.004","8.364","0.003","22.721","0.008","90","","95.648","0.007","90","","2068.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cl4 N6 Ni -","- C44 H40 Cl4 N6 Ni -","- C88 H80 Cl8 N12 Ni2 -","2","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061358","10.946","0.004","8.545","0.003","22.645","0.007","90","","96.486","0.006","90","","2104.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cl4 N6 Pd -","- C44 H40 Cl4 N6 Pd -","- C88 H80 Cl8 N12 Pd2 -","2","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061359","10.927","0.009","8.539","0.009","22.646","0.01","90","","96.257","0.019","90","","2100","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cl4 N6 Pt -","- C44 H40 Cl4 N6 Pt -","- C88 H80 Cl8 N12 Pt2 -","2","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061360","21.267","0.004","18.87","0.003","19.103","0.003","90","","102.186","0.004","90","","7493","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[{Ru(η^5^-C~5~Me~5~)(CO)(PEt~3~)}~2~(μ-Cl)][B{C~6~H~3~(CF~3~)~2~}~4~]","","","- C66 H71 B Cl F24 O2 P2 Ru2 -","- C66 H71 B Cl F24 O2 P2 Ru2 -","- C264 H284 B4 Cl4 F96 O8 P8 Ru8 -","4","1","","Jiménez-Tenorio, Manuel; Palacios, M. Dolores; Puerta, M. Carmen; Valerga, Pedro","Preparation and reactivity of organometallic complexes bearing the Fragment 'Cp*Ru(CO)(PR~3~)' (PR~3~ = PMe^i^Pr~2~, PEt~3~) : dinuclear complexes [{Cp*Ru(CO)(PR~3~)}~2~(μ-Cl)]^+^ containing two chiral centers, η^2^-alkene and other mononuclear complexes","Organometallics","2004","23","3","504","510","10.1021/om034186x","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061361","13.5449","0.001","13.7047","0.001","17.4456","0.0013","103.465","0.002","111.856","0.001","97.466","0.002","2837.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Ru(η^2^-C~2~H~2~)(η^5^-C~5~Me~5~)(CO)(PMeiPr2][B{C~6~H~3~(CF~3~)~2~}~4~]","","","- C52 H48 B F24 O P Ru -","- C52 H48 B F24 O P Ru -","- C104 H96 B2 F48 O2 P2 Ru2 -","2","1","","Jiménez-Tenorio, Manuel; Palacios, M. Dolores; Puerta, M. Carmen; Valerga, Pedro","Preparation and reactivity of organometallic complexes bearing the Fragment 'Cp*Ru(CO)(PR~3~)' (PR~3~ = PMe^i^Pr~2~, PEt~3~) : dinuclear complexes [{Cp*Ru(CO)(PR~3~)}~2~(μ-Cl)]^+^ containing two chiral centers, η^2^-alkene and other mononuclear complexes","Organometallics","2004","23","3","504","510","10.1021/om034186x","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061362","18.6064","0.0007","11.6704","0.0005","11.2726","0.0005","90","","90","","90","","2447.78","0.18","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H29 Cl3 N2 Ru2 S3 -","- C18 H29 Cl3 N2 Ru2 S3 -","- C72 H116 Cl12 N8 Ru8 S12 -","4","0.5","","Shin, Richard Y. C.; Ng, Sin Yee; Tan, Geok Kheng; Koh, Lip Lin; Khoo, Soo Beng; Goh, Lai Yoong; Webster, Richard","Syntheses and X-ray Crystal Structures of Di- and Tri-Nuclear Trithiolate/thioether Bridged Complexes of Ruthenium . Electrochemistry of Mixed Valence Triruthenium Complexes.","Organometallics","2004","23","3","547","558","10.1021/om034189+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133689","2020-10-21","18:00:00",""
"4061363","14.4849","0.0011","16.526","0.0012","17.2483","0.0013","90","","90","","90","","4128.9","0.5","223","2","223","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C37 H58 Cl4 Ru3 S3 -","- C37 H58 Cl4 Ru3 S3 -","- C148 H232 Cl16 Ru12 S12 -","4","0.5","","Shin, Richard Y. C.; Ng, Sin Yee; Tan, Geok Kheng; Koh, Lip Lin; Khoo, Soo Beng; Goh, Lai Yoong; Webster, Richard","Syntheses and X-ray Crystal Structures of Di- and Tri-Nuclear Trithiolate/thioether Bridged Complexes of Ruthenium . Electrochemistry of Mixed Valence Triruthenium Complexes.","Organometallics","2004","23","3","547","558","10.1021/om034189+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133689","2020-10-21","18:00:00",""
"4061364","10.4075","0.0005","13.2588","0.0007","16.5211","0.0008","71.336","0.001","83.199","0.001","76.937","0.001","2101.36","0.18","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H49 Cl F12 P2 Ru3 S6 -","- C30 H49 Cl F12 P2 Ru3 S6 -","- C60 H98 Cl2 F24 P4 Ru6 S12 -","2","1","","Shin, Richard Y. C.; Ng, Sin Yee; Tan, Geok Kheng; Koh, Lip Lin; Khoo, Soo Beng; Goh, Lai Yoong; Webster, Richard","Syntheses and X-ray Crystal Structures of Di- and Tri-Nuclear Trithiolate/thioether Bridged Complexes of Ruthenium . Electrochemistry of Mixed Valence Triruthenium Complexes.","Organometallics","2004","23","3","547","558","10.1021/om034189+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133689","2020-10-21","18:00:00",""
"4061365","11.6694","0.001","12.0731","0.0011","16.9888","0.0015","83.467","0.002","78.933","0.002","72.024","0.002","2230.5","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H53 F12 N5 P2 Ru2 S3 -","- C34 H53 F12 N5 P2 Ru2 S3 -","- C68 H106 F24 N10 P4 Ru4 S6 -","2","1","","Shin, Richard Y. C.; Ng, Sin Yee; Tan, Geok Kheng; Koh, Lip Lin; Khoo, Soo Beng; Goh, Lai Yoong; Webster, Richard","Syntheses and X-ray Crystal Structures of Di- and Tri-Nuclear Trithiolate/thioether Bridged Complexes of Ruthenium . Electrochemistry of Mixed Valence Triruthenium Complexes.","Organometallics","2004","23","3","547","558","10.1021/om034189+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133689","2020-10-21","18:00:00",""
"4061366","12.9198","0.0005","12.7364","0.0005","27.4189","0.0011","90","","95.538","0.001","90","","4490.8","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 F12 N2 P2 Ru3 S6 -","- C32 H52 F12 N2 P2 Ru3 S6 -","- C128 H208 F48 N8 P8 Ru12 S24 -","4","1","","Shin, Richard Y. C.; Ng, Sin Yee; Tan, Geok Kheng; Koh, Lip Lin; Khoo, Soo Beng; Goh, Lai Yoong; Webster, Richard","Syntheses and X-ray Crystal Structures of Di- and Tri-Nuclear Trithiolate/thioether Bridged Complexes of Ruthenium . Electrochemistry of Mixed Valence Triruthenium Complexes.","Organometallics","2004","23","3","547","558","10.1021/om034189+","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061367","12.731","0.004","21.554","0.014","25.55","0.04","90","","95.55","0.04","90","","6978","11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H58 F12 N2 O2 P6 Ru2 -","- C69 H58 F12 N2 O2 P6 Ru2 -","- C276 H232 F48 N8 O8 P24 Ru8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034223k","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061368","9.848","0.006","10.398","0.006","29.353","0.013","88.4","0.04","84.8","0.05","88.77","0.08","2992","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H44 Cl2 F12 Mo N4 O6 P4 Ru2 -","- C55 H44 Cl2 F12 Mo N4 O6 P4 Ru2 -","- C110 H88 Cl4 F24 Mo2 N8 O12 P8 Ru4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034223k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061369","11.607","0.002","15.809","0.003","17.269","0.004","90","","105.8","0.03","90","","3049.1","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Cl N2 Sb Si4 -","- C24 H44 Cl N2 Sb Si4 -","- C96 H176 Cl4 N8 Sb4 Si16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034229+","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061370","10.1914","0.0013","17.009","0.002","12.7509","0.0016","90","","108.839","0.002","90","","2091.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C28 H29 Cl2 Fe3 O15 P Pt4 -","- C28 H29 Cl2 Fe3 O15 P Pt4 -","- C56 H58 Cl4 Fe6 O30 P2 Pt8 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om0342659","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061371","13.9156","0.0008","18.2636","0.0011","21.2496","0.0013","90","","101.737","0.001","90","","5287.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 Cl2 Fe2 O12 P2 Pt5 -","- C37 H56 Cl2 Fe2 O12 P2 Pt5 -","- C148 H224 Cl8 Fe8 O48 P8 Pt20 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0342659","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061372","10.0725","0.0006","16.8032","0.001","12.7612","0.0008","90","","108.895","0.001","90","","2043.4","0.2","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C28 H29 Cl2 Fe3 O15 P Pd Pt3 -","- C28 H29 Cl2 Fe3 O15 P Pd Pt3 -","- C56 H58 Cl4 Fe6 O30 P2 Pd2 Pt6 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om0342659","","","","","","","","","","","","","","","","","","","","","has coordinates","178510","2020-10-21","18:00:00",""
"4061373","13.0758","0.0011","13.1261","0.0011","17.1019","0.0014","103.478","0.002","98.332","0.002","99.854","0.002","2759.5","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H56 Cl2 Fe2 O12 P2 Pd2 Pt3 -","- C37 H56 Cl2 Fe2 O12 P2 Pd2 Pt3 -","- C74 H112 Cl4 Fe4 O24 P4 Pd4 Pt6 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0342659","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061374","10.4091","0.0005","11.4151","0.0005","19.0923","0.0009","97.718","0.001","96.107","0.001","111.697","0.001","2058.53","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 O17 P Pt3 Ru4 -","- C29 H27 O17 P Pt3 Ru4 -","- C58 H54 O34 P2 Pt6 Ru8 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0342659","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061375","14.0399","0.0002","22.1665","0.0003","47.2933","0.0006","90","","90","","90","","14718.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","H4Ru4(CO)10(BINAP)","","","- C54 H36 O10 P2 Ru4 -","- C54 H36 O10 P2 Ru4 -","- C648 H432 O120 P24 Ru48 -","12","3","","Tunik, Sergey P.; Pilyugina, Tatiana S.; Koshevoy, Igor O.; Selivanov, Stanislav I.; Haukka, Matti; Pakkanen, Tapani A.","Reaction of (S)-BINAP with H~4~Ru~4~(CO)~12~. The First Example of Face-Bridging BINAP Coordination and 100% Stereoselectivity in Formation of a Chiral Tetranuclear Cluster Framework","Organometallics","2004","23","3","568","579","10.1021/om034288n","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061376","13.5301","0.0002","19.7539","0.0004","20.7708","0.0004","90","","90","","90","","5551.46","0.18","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","H4Ru4(CO)9(BINAP)","","","- C59 H50 O9 P2 Ru4 -","- C59 H50 O9 P2 Ru4 -","- C236 H200 O36 P8 Ru16 -","4","1","","Tunik, Sergey P.; Pilyugina, Tatiana S.; Koshevoy, Igor O.; Selivanov, Stanislav I.; Haukka, Matti; Pakkanen, Tapani A.","Reaction of (S)-BINAP with H~4~Ru~4~(CO)~12~. The First Example of Face-Bridging BINAP Coordination and 100% Stereoselectivity in Formation of a Chiral Tetranuclear Cluster Framework","Organometallics","2004","23","3","568","579","10.1021/om034288n","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061377","14.0399","0.0002","22.1665","0.0003","47.2933","0.0006","90","","90","","90","","14718.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","H4Ru4(CO)10(BINAP)","","","- C54 H36 O10 P2 Ru4 -","- C54 H36 O10 P2 Ru4 -","- C648 H432 O120 P24 Ru48 -","12","3","","Tunik, Sergey P.; Pilyugina, Tatiana S.; Koshevoy, Igor O.; Selivanov, Stanislav I.; Haukka, Matti; Pakkanen, Tapani A.","Reaction of (S)-BINAP with H~4~Ru~4~(CO)~12~. The First Example of Face-Bridging BINAP Coordination and 100% Stereoselectivity in Formation of a Chiral Tetranuclear Cluster Framework","Organometallics","2004","23","3","568","579","10.1021/om034288n","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061378","17.9746","0.0003","27.7046","0.0006","16.6001","0.0003","90","","90.846","0.001","90","","8265.6","0.3","213.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C95 H77 B N4 O4 P4 Rh4 -","- C95 H77 B N4 O4 P4 Rh4 -","- C380 H308 B4 N16 O16 P16 Rh16 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Tetranuclear Complexes Based on a Dynamic Metal-Metal Linkage, [(μ~4~-X)Rh~4~(CO)~4~(PNNP)~2~]^n+^ (X/n = RC⋮C/1 (Acetylide), C~2~/0 (Dicarbide))","Organometallics","2004","23","3","317","319","10.1021/om034315+","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061379","22.608","0.003","19.32","0.003","14.927","0.004","90","","110.979","0.004","90","","6087","1","213","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H50 N4 O4 P4 Rh4 -","- C64 H50 N4 O4 P4 Rh4 -","- C256 H200 N16 O16 P16 Rh16 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Tetranuclear Complexes Based on a Dynamic Metal-Metal Linkage, [(μ~4~-X)Rh~4~(CO)~4~(PNNP)~2~]^n+^ (X/n = RC⋮C/1 (Acetylide), C~2~/0 (Dicarbide))","Organometallics","2004","23","3","317","319","10.1021/om034315+","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061380","13.125","0.002","15.818","0.003","17.283","0.003","104.225","0.007","98.352","0.006","107.733","0.008","3217.4","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H40 B2 Br Cl3 F30 P4 W -","- C56 H40 B2 Br Cl3 F30 P4 W -","- C112 H80 B4 Br2 Cl6 F60 P8 W2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062500","17.814","0.004","20.59","0.004","13.184","0.003","90","","90","","90","","4835.7","1.7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H13 F14 Hg N3 -","- C21 H13 F14 Hg N3 -","- C168 H104 F112 Hg8 N24 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om030408f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062501","16.004","0.003","11.918","0.004","24.909","0.004","90","","94.2","0.02","90","","4738","1","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Si2 -","- C24 H34 Si2 -","- C192 H272 Si16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om030508l","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062502","18.382","0.005","18.604","0.005","11.582","0.005","90","0.005","103.69","0.005","90","0.005","3848","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C35 H53 N4 Na Ti3 -","- C35 H33 N4 Na Ti3 -","- C140 H132 N16 Na4 Ti12 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om030554l","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062503","11.225","0.004","11.82","0.003","17.235","0.005","96.03","0.01","92.12","0.02","105.45","0.01","2186.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H61 N4 Ti3 Tl -","- C42 H61 N4 Ti3 Tl -","- C84 H122 N8 Ti6 Tl2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om030554l","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062504","14.445","0.003","12.943","0.003","24.06","0.005","90","","105.08","0.03","90","","4343.4","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N4 Ti3 Tl2 -","- C40 H58 N4 Ti3 Tl2 -","- C160 H232 N16 Ti12 Tl8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030554l","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062505","23.571","0.004","26.92","0.005","16.234","0.003","90","","129.141","0.002","90","","7989","3","153","2","153","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C73 H68 B2 Cl F8 O4 P4 Rh2 -","- C73 H68 B2 Cl F8 O4 P4 Rh2 -","- C292 H272 B8 Cl4 F32 O16 P16 Rh8 -","4","1","","Holliday, Bradley J.; Ulmann, Pirmin A.; Mirkin, Chad A.; Stern, Charlotte L.; Zakharov, Lev N.; Rheingold, Arnold L.","A Systematic Study of the Role of Ligand Structure in the Formation of Homobinuclear Rhodium Macrocycles Formed via the Weak-Link Approach","Organometallics","2004","","","","","10.1021/om030611a","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062506","23.0417","0.0012","29.121","0.002","16.1785","0.0008","90","","128.332","0.001","90","","8515.4","0.9","128","2","128","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C94 H126 B2 Cl4 F8 O9 P4 Rh2 -","- C74 H76 B2 Cl4 F8 O4 P4 Rh2 -","- C296 H304 B8 Cl16 F32 O16 P16 Rh8 -","4","1","","Holliday, Bradley J.; Ulmann, Pirmin A.; Mirkin, Chad A.; Stern, Charlotte L.; Zakharov, Lev N.; Rheingold, Arnold L.","A Systematic Study of the Role of Ligand Structure in the Formation of Homobinuclear Rhodium Macrocycles Formed via the Weak-Link Approach","Organometallics","2004","","","","","10.1021/om030611a","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062507","23.097","0.002","14.5217","0.0012","28.715","0.004","90","","94.639","0.001","90","","9599.7","1.7","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C94 H118 B2 Cl12 F8 O5 P4 Rh2 -","- C84 H96 B2 F8 O4 P4 Rh2 -","- C336 H384 B8 F32 O16 P16 Rh8 -","4","0.5","","Holliday, Bradley J.; Ulmann, Pirmin A.; Mirkin, Chad A.; Stern, Charlotte L.; Zakharov, Lev N.; Rheingold, Arnold L.","A Systematic Study of the Role of Ligand Structure in the Formation of Homobinuclear Rhodium Macrocycles Formed via the Weak-Link Approach","Organometallics","2004","","","","","10.1021/om030611a","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062508","11.888","0.006","16.743","0.009","13.508","0.007","90","","96.934","0.009","90","","2669","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Cl2 N P Zr -","- C22 H42 Cl2 N P Zr -","- C88 H168 Cl8 N4 P4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062509","8.472","0.004","14.295","0.007","19.506","0.009","90","","90","","90","","2362","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 Cl N P Zr -","- C22 H37 Cl N P Zr -","- C88 H148 Cl4 N4 P4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062510","11.354","0.006","15.765","0.008","16.78","0.009","90","","90","","90","","3004","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 N P Zr -","- C31 H46 N P Zr -","- C124 H184 N4 P4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062511","10.759","0.006","19.554","0.012","19.429","0.012","90","","103.548","0.012","90","","3974","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 N2 P2 Zr -","- C36 H66 N2 P2 Zr -","- C144 H264 N8 P8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062512","17.789","0.017","17.802","0.017","25.81","0.03","90","","90","","90","","8175","14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H72 N4 P2 Zr -","- C32 H72 N4 P2 Zr -","- C256 H576 N32 P16 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062513","13.306","0.009","13.409","0.009","16","0.011","79.1","0.013","73.208","0.012","60.701","0.013","2379","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H60 N4 P3 Zr -","- C38 H60 N4 P3 Zr -","- C76 H120 N8 P6 Zr2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062514","9.2945","0.0004","12.2403","0.0005","19.7289","0.0007","105.032","0.003","96.062","0.002","101.274","0.002","2096.72","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.91 H47.82 B9 Cl1.82 P2 Rh S -","- C40.912 H47.824 B9 Cl1.824 P2 Rh S -","- C81.824 H95.648 B18 Cl3.648 P4 Rh2 S2 -","2","1","","Núñez, Rosario; Tutusaus, Oscar; Teixidor, Francesc; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko","Formation of new η^5^-Rh(III) complexes from η^5^-Rh(I) rhodacarborane containing charge-compebsated ligands.","Organometallics","2004","23","10","2273","2280","10.1021/om030635h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133659","2020-10-21","18:00:00",""
"4062515","7.086","0.003","14.502","0.009","18.208","0.006","90","","90.56","0.03","90","","1871","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 B9 Rh S -","- C12 H28 B9 Rh S -","- C48 H112 B36 Rh4 S4 -","4","1","","Núñez, Rosario; Tutusaus, Oscar; Teixidor, Francesc; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko","Formation of new η^5^-Rh(III) complexes from η^5^-Rh(I) rhodacarborane containing charge-compebsated ligands.","Organometallics","2004","23","10","2273","2280","10.1021/om030635h","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4062516","9.014","0.002","18.608","0.003","10.06","0.002","90","","100.676","0.017","90","","1658.2","0.6","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H32 B9 Cl5 P Rh S -","- C23 H32 B9 Cl5 P Rh S -","- C46 H64 B18 Cl10 P2 Rh2 S2 -","2","1","","Núñez, Rosario; Tutusaus, Oscar; Teixidor, Francesc; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko","Formation of new η^5^-Rh(III) complexes from η^5^-Rh(I) rhodacarborane containing charge-compebsated ligands.","Organometallics","2004","23","10","2273","2280","10.1021/om030635h","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4062517","8.2883","0.0006","12.7436","0.001","15.7252","0.0012","106.437","0.001","104.999","0.001","92.173","0.001","1527.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Ru(PNP)(CO)2OH PF6","","","- C25 H44 F6 N O3 P3 Ru -","- C25 H44 F6 N O3 P3 Ru -","- C50 H88 F12 N2 O6 P6 Ru2 -","2","1","","Gibson, Dorothy H.; Pariya, Chandi; Mashuta, Mark S.","Synthesis and Characterization of Ruthenium(II) Hydrido and Hydroxo Complexes Bearing the 2,6-Bis(di-tert-butylphosphinomethyl)pyridine Ligand","Organometallics","2004","23","10","2510","2513","10.1021/om030659o","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062518","10.1906","0.0006","12.8762","0.0008","14.0826","0.0009","88.929","0.001","75.703","0.001","87.422","0.001","1788.8","0.2","124.2","","124.2","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H58 B Ir P3 Si -","- C31 H58 B Ir P3 Si -","- C62 H116 B2 Ir2 P6 Si2 -","2","1","","Laura Turculet; Jay D. Feldman; T. Don Tilley","","Organometallics","2004","","","","","10.1021/om030686e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062519","36.527","0.003","10.0508","0.0007","20.125","0.001","90","","92.273","0.002","90","","7382.7","0.8","124.2","","124.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H64 B Ir P4 -","- C37 H64 B Ir P4 -","- C296 H512 B8 Ir8 P32 -","8","1","","","","Organometallics","2004","","","","","10.1021/om030686e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062520","15.5038","0.0008","11.4661","0.0006","18.013","0.001","90","","92.326","0.001","90","","3199.5","0.3","143.2","","143.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H53 B O2 P3 Rh -","- C29 H53 B O2 P3 Rh -","- C116 H212 B4 O8 P12 Rh4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030686e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062521","9.2758","0.0005","11.9315","0.0007","27.907","0.002","90","","99.149","0.001","90","","3049.3","0.3","134.2","","134.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H53 B P3 Rh -","- C27 H53 B P3 Rh -","- C108 H212 B4 P12 Rh4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030686e","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062522","10.993","0.002","16.887","0.003","18.951","0.004","90","","90.96","0.03","90","","3517.6","1.2","293","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 B P4 Rh -","- C30 H62 B P4 Rh -","- C120 H248 B4 P16 Rh4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030686e","","","","","","","0.0604","","","0.1414","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062523","9.3582","0.0006","11.1131","0.0007","18.206","0.001","86.251","0.001","86.214","0.001","79.474","0.001","1854.7","0.2","174.2","","174.2","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H57 B P3 Rh Si -","- C35 H57 B P3 Rh Si -","- C70 H114 B2 P6 Rh2 Si2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om030686e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062524","12.7755","0.0015","6.4242","0.0007","17.118","0.002","90","","111.836","0.002","90","","1304.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 F6 N4 O2 P -","- C9 H13 F6 N4 O2 P -","- C36 H52 F24 N16 O8 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030689r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062525","32.09","0.012","6.59","0.002","8.354","0.003","90","","90","","90","","1766.6","1.1","100","2","100","2","","","","","","","","7","I m m 2","I 2 -2","44","","","","- C32 H40 Ag F6 N8 O4 P -","- C32 H40 Ag F5.97 N8 O4 P -","- C64 H80 Ag2 F11.94 N16 O8 P2 -","2","0.25","","","","Organometallics","2004","","","","","10.1021/om030689r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062526","12.4032","0.0017","14.879","0.002","15.685","0.002","81.515","0.002","68.783","0.002","74.762","0.002","2599.2","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H36 F6 N4 O4 P Rh S -","- C19 H30 F6 N4 O3 P Rh S -","- C76 H120 F24 N16 O12 P4 Rh4 S4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om030689r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062527","12.2466","0.0011","13.0523","0.0012","12.3583","0.0012","90","","110.815","0.002","90","","1846.5","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cr O2 -","- C10 H10 Cr O2 -","- C80 H80 Cr8 O16 -","8","2","","David W. Norman; Michael J. Ferguson; Jeffrey M. Stryker","A General Synthesis of Cyclopentadienyl Chromium(II) h3-Allyl Dicarbonyl Complexes","Organometallics","2004","","","","","10.1021/om030690q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178521","2020-10-21","18:00:00",""
"4062528","7.5642","0.0006","9.1655","0.0007","14.7183","0.0011","90","","92.975","0.001","90","","1019.04","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cr O2 -","- C11 H12 Cr O2 -","- C44 H48 Cr4 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030690q","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062529","13.2121","0.0004","7.3278","0.0002","12.0989","0.0004","90","","108.006","0.001","90","","1113.99","0.06","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cr O2 -","- C13 H14 Cr O2 -","- C52 H56 Cr4 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030690q","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062530","11.924","0.002","17.218","0.003","21.714","0.004","90","","94.79","0.03","90","","4442.6","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 B3 F15 Zr2 -","- C46 H42 B3 F15 Zr2 -","- C184 H168 B12 F60 Zr8 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178521","2020-10-21","18:00:00",""
"4062531","21.6948","0.0002","10.205","0.0001","24.4983","0.0002","90","","114.05","","90","","4952.97","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 B3 F15 Zr2 -","- C54 H54 B3 F15 Zr2 -","- C216 H216 B12 F60 Zr8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030692a","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062532","20.0275","0.0012","15.4665","0.0009","22.6081","0.0013","90","","107.263","0.001","90","","6687.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 B F15 O2 Zr -","- C34 H26 B F15 O2.001 Zr -","- C272 H208 B8 F120 O16.008 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om030692a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178521","2020-10-21","18:00:00",""
"4062533","9.2517","0.0009","12.5357","0.0012","13.7185","0.0013","74.735","0.003","87.45","0.004","78.983","0.003","1506.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 Cr N2 -","- C34 H46 Cr N2 -","- C68 H92 Cr2 N4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034065x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062534","10.2734","0.0007","25.672","0.001","12.4415","0.0008","90","","106.296","0.003","90","","3149.5","0.3","173.2","","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Cr I N2 -","- C34 H46 Cr I N2 -","- C136 H184 Cr4 I4 N8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034065x","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062535","10.1556","0.0007","25.669","0.002","12.3629","0.0009","90","","105.431","0.003","90","","3106.7","0.3","173.2","","173.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 Cr N2 -","- C35 H49 Cr N2 -","- C140 H196 Cr4 N8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034065x","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062536","14.66","0.002","21.305","0.003","9.9584","0.0013","90","","90","","90","","3110.3","0.7","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H46 Cl Cr N2 -","- C34 H46 Cl Cr N2 -","- C136 H184 Cl4 Cr4 N8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om034065x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062537","12.2769","0.0007","13.3936","0.0006","21.4324","0.0011","90","","94.863","0.003","90","","3511.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 Cr F3 N2 O3 S -","- C35 H46 Cr F3 N2 O3 S -","- C140 H184 Cr4 F12 N8 O12 S4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034065x","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062538","13.197","0.002","13.303","0.002","21.21","0.002","90","","107.27","0.01","90","","3555.7","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H51 Cr N2 -","- C42 H51 Cr N2 -","- C168 H204 Cr4 N8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034065x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178521","2020-10-21","18:00:00",""
"4062539","13.192","0.001","11.725","0.001","18.788","0.001","90","","107.12","","90","","2777.29","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 O Ti -","- C34 H47 O Ti -","- C136 H188 O4 Ti4 -","4","1","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","277943","2022-09-17","21:33:59",""
"4062540","31.5859","0.0012","31.5859","0.0012","10.8055","0.0004","90","","90","","90","","10780.3","1.2","193","","193","","","","","","","","","4","I 41/a","","","","","","- C31 H40 O Ti -","- C31 H40 O Ti -","- C496 H640 O16 Ti16 -","16","","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","281832","2023-03-13","07:51:36",""
"4062541","12.0726","0.0002","21.8004","0.0006","26.0711","0.0004","90","","102.123","0.0011","90","","6708.6","0.4","203","","203","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 O Ti -","- C39.5 H54.5 O Ti -","- C316 H436 O8 Ti8 -","8","2","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","277943","2022-09-17","21:34:00",""
"4062542","10.6104","0.0002","20.5655","0.0006","16.5745","0.0005","90","","106.168","0.0017","90","","3473.65","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 Br O Ti -","- C43 H37 Br O Ti -","- C172 H148 Br4 O4 Ti4 -","4","1","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","277943","2022-09-17","21:34:00",""
"4062543","7.6461","0.0012","9.676","0.0007","11.1248","0.001","67.703","0.004","82.617","0.005","88.058","0.007","755.1","0.15","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Br O Ti -","- C15 H19 Br O Ti -","- C30 H38 Br2 O2 Ti2 -","2","1","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","277943","2022-09-17","21:34:00",""
"4062544","7.4673","0.0008","16.0852","0.001","15.2369","0.0013","90","","93.036","0.006","90","","1827.6","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O Ti -","- C19 H28 O Ti -","- C76 H112 O4 Ti4 -","4","1","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","277943","2022-09-17","21:34:00",""
"4062545","8.2285","0.0003","20.9915","0.0009","12.7159","0.0006","90","","90","","90","","2196.4","0.16","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H24 Br2 O2 Ti -","- C22 H24 Br2 O2 Ti -","- C88 H96 Br8 O8 Ti4 -","4","0.5","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","277943","2022-09-17","21:34:00",""
"4062546","12.2084","0.0005","12.3668","0.0002","13.7876","0.0005","71.44","0.002","84.811","0.001","83.982","0.002","1958.9","","","","203","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H24 B F15 O Ti -","- C44 H24 B F15 O Ti -","- C88 H48 B2 F30 O2 Ti2 -","2","1","","Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.","Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation","Organometallics","2004","23","9","2146","2156","10.1021/om0341404","","","","","","","","","","","","","","","","","","","","","has coordinates","277943","2022-09-17","21:34:00",""
"4062547","11.5103","0.0005","16.5512","0.0007","17.7754","0.0008","102.676","0.001","95.422","0.001","99.171","0.001","3232","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","[(2,6-Mes2C6H3)2Al]+[B(C6F5)4]- C6H6","","","- C78 H56 Al B F20 -","- C78 H56 Al B F20 -","- C156 H112 Al2 B2 F40 -","2","1","","Jackie D. Young; Masood A. Khan; Rudolf J. Wehmschulte","Synthesis and characterization of an almost linear, quasi-two-coordinate, cationic diorganoaluminum compound Synthesis and characterization of an almost linear, quasi-two-coordinate, cationic diorganoaluminum compound","Organometallics","2004","","","","","10.1021/om0341707","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062548","17.2959","0.0008","21.9714","0.001","31.4784","0.0015","90","","90","","90","","11962.3","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[(2,6-Mes2C6H3)2Al]+[B(C6F5)4]-","","","- C72 H50 Al B F20 -","- C72 H50 Al B F20 -","- C576 H400 Al8 B8 F160 -","8","1","","Jackie D. Young; Masood A. Khan; Rudolf J. Wehmschulte","Synthesis and characterization of an almost linear, quasi-two-coordinate, cationic diorganoaluminum compound Synthesis and characterization of an almost linear, quasi-two-coordinate, cationic diorganoaluminum compound","Organometallics","2004","","","","","10.1021/om0341707","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062549","17.656","0.002","7.729","0.0001","26.88","0.005","90","","98.733","0.009","90","","3625","1","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N -","- C21 H25 N -","- C168 H200 N8 -","8","2","","Scholz, Joachim; Kahlert, Steffen; Görls, Helmar","Synthesis and Structure of the First Homoleptic 1-Aza-1,3-diene Titanium Complex: A Tightrope Walk between Ligand Coordination and Ligand Coupling","Organometallics","2004","23","7","1594","1603","10.1021/om0341956","","","","","","","","","","","","","","","","","","","","","has coordinates","209873","2020-10-21","18:00:00",""
"4062550","9.098","0.003","12.335","0.002","19.761","0.004","107.14","0.01","92.21","0.01","98.62","0.01","2087.2","0.9","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H63 N3 Zr -","- C48 H63 N3 Zr -","- C96 H126 N6 Zr2 -","2","1","","Scholz, Joachim; Kahlert, Steffen; Görls, Helmar","Synthesis and Structure of the First Homoleptic 1-Aza-1,3-diene Titanium Complex: A Tightrope Walk between Ligand Coordination and Ligand Coupling","Organometallics","2004","23","7","1594","1603","10.1021/om0341956","","","","","","","","","","","","","","","","","","","","","has coordinates","209873","2020-10-21","18:00:00",""
"4062551","18.196","0.002","9.347","0.0009","22.62","0.003","90","","108.454","0.004","90","","3649.3","0.7","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 N2 Ti -","- C42 H50 N2 Ti -","- C168 H200 N8 Ti4 -","4","1","","Scholz, Joachim; Kahlert, Steffen; Görls, Helmar","Synthesis and Structure of the First Homoleptic 1-Aza-1,3-diene Titanium Complex: A Tightrope Walk between Ligand Coordination and Ligand Coupling","Organometallics","2004","23","7","1594","1603","10.1021/om0341956","","","","","","","","","","","","","","","","","","","","","has coordinates","209873","2020-10-21","18:00:00",""
"4062552","12.8723","0.0006","16.243","0.0007","16.4383","0.0004","62.75","0.002","80.747","0.002","75.093","0.002","2949","0.2","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H80 N3 O0.5 Ti -","- C65 H80 N3 O0.5 Ti -","- C130 H160 N6 O Ti2 -","2","1","","Scholz, Joachim; Kahlert, Steffen; Görls, Helmar","Synthesis and Structure of the First Homoleptic 1-Aza-1,3-diene Titanium Complex: A Tightrope Walk between Ligand Coordination and Ligand Coupling","Organometallics","2004","23","7","1594","1603","10.1021/om0341956","","","","","","","","","","","","","","","","","","","","","has coordinates","209873","2020-10-21","18:00:00",""
"4062553","13.0733","0.0005","13.311","0.0004","19.5635","0.0007","70.838","0.002","81.537","0.002","62.963","0.002","2864.34","0.17","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H75 N2 O2.5 Ti -","- C70 H75 N2 O2.5 Ti -","- C140 H150 N4 O5 Ti2 -","2","1","","Scholz, Joachim; Kahlert, Steffen; Görls, Helmar","Synthesis and Structure of the First Homoleptic 1-Aza-1,3-diene Titanium Complex: A Tightrope Walk between Ligand Coordination and Ligand Coupling","Organometallics","2004","23","7","1594","1603","10.1021/om0341956","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209873","2020-10-21","18:00:00",""
"4062554","10.7839","0.0003","9.4726","0.0004","17.2463","0.0008","90","","90","","90","","1761.7","0.2","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H22 N O P -","- C19 H22 N O P -","- C76 H88 N4 O4 P4 -","4","1","","Speiser Fredy; Braunstein Pierre; Saussine Lucien; Welter Richard","Synthesis, Structures and Catalytic Ethylene Oligomerisation Behavior of Nickel Complexes with Oxazoline-based P,N-Chelate Ligands.","Organometallics","2004","","","","","10.1021/om034197q","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062555","11.781","0.0009","12.447","0.001","13.295","0.0007","90","","95.859","0.004","90","","1939.4","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Br4 N2 Ni2 O2 P2 -","- C36 H40 Br4 N2 Ni2 O2 P2 -","- C72 H80 Br8 N4 Ni4 O4 P4 -","2","0.5","","Speiser Fredy; Braunstein Pierre; Saussine Lucien; Welter Richard","Synthesis, Structures and Catalytic Ethylene Oligomerisation Behavior of Nickel Complexes with Oxazoline-based P,N-Chelate Ligands.","Organometallics","2004","","","","","10.1021/om034197q","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062556","17.9824","0.0002","8.0761","0.0008","14.753","0.001","90","","90","","90","","2142.5","0.3","294","","294","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H24 Cl2 N Ni O P -","- C20 H24 Cl2 N Ni O P -","- C80 H96 Cl8 N4 Ni4 O4 P4 -","4","1","","Speiser Fredy; Braunstein Pierre; Saussine Lucien; Welter Richard","Synthesis, Structures and Catalytic Ethylene Oligomerisation Behavior of Nickel Complexes with Oxazoline-based P,N-Chelate Ligands.","Organometallics","2004","","","","","10.1021/om034197q","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062557","16.152","0.001","19.663","0.001","9.794","0.001","90","","90","","90","","3110.4","","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H38 Cl2 Ni P2 -","- C32 H38 Cl2 Ni P2 -","- C128 H152 Cl8 Ni4 P8 -","4","1","","Speiser Fredy; Braunstein Pierre; Saussine Lucien; Welter Richard","Synthesis, Structures and Catalytic Ethylene Oligomerisation Behavior of Nickel Complexes with Oxazoline-based P,N-Chelate Ligands.","Organometallics","2004","","","","","10.1021/om034197q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062558","9.209","0.005","9.209","0.005","50.4","0.005","90","","90","","90","","4274","3","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20.5 H21 Cl3 N Ni P -","- C20.5 H21 Cl3 N Ni P -","- C164 H168 Cl24 N8 Ni8 P8 -","8","1","","Speiser Fredy; Braunstein Pierre; Saussine Lucien","New nickel ethylene oligomerization catalysts bearing bidentate P,N-phosphinopyridine ligands","Organometallics","2004","","","","","10.1021/om034198i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062559","17.5595","0.0006","29.2286","0.001","12.2993","0.0004","90","","97.41","0.002","90","","6259.8","0.6","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Ag3 Fe N7 -","- C9 H4 Ag3 Fe N7 -","- C144 H64 Ag48 Fe16 N112 -","16","4","","Niel, Virginie; Thompson, Amber L.; Goeta, Andrés E.; Enachescu, Cristian; Hauser, Andreas; Galet, Ana; Muñoz, M. Carmen; Real, José A","Thermal and Light-Induced Two-step Spin Transition in a Novel Fe(II) 3D Polymer with Strong Metallophilic Interactions: Diffraction, Magnetic, Calorimetric and Visible Absorption Spectroscopic Studies of {Fe(pmd)[Ag(CN)2][Ag2(CN)3]}.","Organometallics","2004","","","","","10.1021/om0342053","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062560","17.5596","0.0008","29.2136","0.0013","12.2539","0.0006","90","","97.3","0.002","90","","6235.1","0.8","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Ag3 Fe N7 -","- C9 H4 Ag3 Fe N7 -","- C144 H64 Ag48 Fe16 N112 -","16","4","","Niel, Virginie; Thompson, Amber L.; Goeta, Andrés E.; Enachescu, Cristian; Hauser, Andreas; Galet, Ana; Muñoz, M. Carmen; Real, José A","Thermal and Light-Induced Two-step Spin Transition in a Novel Fe(II) 3D Polymer with Strong Metallophilic Interactions: Diffraction, Magnetic, Calorimetric and Visible Absorption Spectroscopic Studies of {Fe(pmd)[Ag(CN)2][Ag2(CN)3]}.","Organometallics","2004","","","","","10.1021/om0342053","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062561","17.2561","0.001","29.5042","0.0018","11.9308","0.0007","90","","96.875","0.002","90","","6030.6","1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Ag3 Fe N7 -","- C9 H4 Ag3 Fe N7 -","- C144 H64 Ag48 Fe16 N112 -","16","4","","Niel, Virginie; Thompson, Amber L.; Goeta, Andrés E.; Enachescu, Cristian; Hauser, Andreas; Galet, Ana; Muñoz, M. Carmen; Real, José A","Thermal and Light-Induced Two-step Spin Transition in a Novel Fe(II) 3D Polymer with Strong Metallophilic Interactions: Diffraction, Magnetic, Calorimetric and Visible Absorption Spectroscopic Studies of {Fe(pmd)[Ag(CN)2][Ag2(CN)3]}.","Organometallics","2004","","","","","10.1021/om0342053","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062562","17.1761","0.001","29.2567","0.0017","11.5799","0.0007","90","","97.051","0.002","90","","5775.1","1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Ag3 Fe N7 -","- C9 H4 Ag3 Fe N7 -","- C144 H64 Ag48 Fe16 N112 -","16","4","","Niel, Virginie; Thompson, Amber L.; Goeta, Andrés E.; Enachescu, Cristian; Hauser, Andreas; Galet, Ana; Muñoz, M. Carmen; Real, José A","Thermal and Light-Induced Two-step Spin Transition in a Novel Fe(II) 3D Polymer with Strong Metallophilic Interactions: Diffraction, Magnetic, Calorimetric and Visible Absorption Spectroscopic Studies of {Fe(pmd)[Ag(CN)2][Ag2(CN)3]}.","Organometallics","2004","","","","","10.1021/om0342053","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062563","17.214","0.003","29.252","0.005","11.559","0.002","90","","97.015","0.004","90","","5777","3","30","2","30","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Ag3 Fe N7 -","- C9 H4 Ag3 Fe N7 -","- C144 H64 Ag48 Fe16 N112 -","16","4","","Niel, Virginie; Thompson, Amber L.; Goeta, Andrés E.; Enachescu, Cristian; Hauser, Andreas; Galet, Ana; Muñoz, M. Carmen; Real, José A","Thermal and Light-Induced Two-step Spin Transition in a Novel Fe(II) 3D Polymer with Strong Metallophilic Interactions: Diffraction, Magnetic, Calorimetric and Visible Absorption Spectroscopic Studies of {Fe(pmd)[Ag(CN)2][Ag2(CN)3]}.","Organometallics","2004","","","","","10.1021/om0342053","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062564","17.6506","0.0019","29.281","0.003","12.2184","0.0014","90","","97.228","0.002","90","","6264.7","1.2","30","2","30","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Ag3 Fe N7 -","- C9 H4 Ag3 Fe N7 -","- C144 H64 Ag48 Fe16 N112 -","16","4","","Niel, Virginie; Thompson, Amber L.; Goeta, Andrés E.; Enachescu, Cristian; Hauser, Andreas; Galet, Ana; Muñoz, M. Carmen; Real, José A","Thermal and Light-Induced Two-step Spin Transition in a Novel Fe(II) 3D Polymer with Strong Metallophilic Interactions: Diffraction, Magnetic, Calorimetric and Visible Absorption Spectroscopic Studies of {Fe(pmd)[Ag(CN)2][Ag2(CN)3]}.","Organometallics","2004","","","","","10.1021/om0342053","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062565","16.638","0.008","10.989","0.005","24.76","0.01","90","","109.361","0.004","90","","4270","3","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 O Si6 -","- C36 H72 O Si6 -","- C144 H288 O4 Si24 -","4","1","","Naka, Akinobu; Ohnishi, Hidenobu; Miyahara, Ikuko; Hirotsu, Ken; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishikawa, Mitsuo","Silicon-carbon Unsaturated Compounds. 69. Reactions of Silenes Produced Thermally from Pivaloyl- and Adamantoyltris(trimethylsilyl)silane with Silyl-substituted Butadiynes and Enynes","Organometallics","2004","23","18","4277","4287","10.1021/om034213j","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4062566","18.575","0.004","7.225","0.002","10.537","0.002","90","","100.85","0.004","90","","1388.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Mn N2 O2 -","- C15 H13 Mn N2 O2 -","- C60 H52 Mn4 N8 O8 -","4","1","","Theodore J. Burkey; Tung T. To; Barnes, Craig E.","Bistable Photochromic 'Organometallics' Based on Linkage Isomerism: Photochemistry of Dicarbonyl(eta-5-methylcyclopentadienyl)manganese(I) derivatives with a Bifunctional, Non-chelating Ligand","Organometallics","2004","","","","","10.1021/om0342356","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062567","11.9793","0.0009","13.6815","0.001","22.1965","0.0016","101.27","0.001","99.102","0.001","107.689","0.002","3305.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 F20 I N P2 Pd2 -","- C64 H56 F20 I N P2 Pd2 -","- C128 H112 F40 I2 N2 P4 Pd4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034236y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062568","11.077","0.003","14.132","0.004","15.845","0.005","90.549","0.005","109.599","0.004","106.104","0.005","2230.4","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 O2 P4 Pt -","- C46 H64 O2 P4 Pt -","- C92 H128 O4 P8 Pt2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034238i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062569","7.999","0.0003","23.0146","0.0008","8.709","0.0003","90","","90","","90","","1603.27","0.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(dimethylsilyl)(dimethylfluorosilyl)niobocene hydrid","bis(cyclopentadienyl)(dimethylsilyl) (dimethylfluorosilyl)(hydrido) niobium (V)","","- C14 H24 F Nb Si2 -","- C14 H23 F Nb Si2 -","- C56 H92 F4 Nb4 Si8 -","4","1","","Dorogov, Konstantin Yu.; Dumont, Elise; Ho, Nam-Nhat; Churakov, Andrei V.; Kuzmina, Lyudmila G.; Poblet, Josep-Maria; Schultz, Arthur J.; Howard, Judith A. K.; Bau, Robert; Lledos, Agusti; Nikonov, Georgii I.","Neutron and X-ray Diffraction Studies and DFT Calculations of Asymmetric Bis(silyl) Niobocene Hydrides","Organometallics","2004","23","12","2845","2847","10.1021/om034239a","","","0.71073","MoKα","","0.0278","0.0262","","","0.0643","0.0653","","","1.43","","","1.053","","","","has coordinates","246744","2020-10-21","18:00:00",""
"4062570","13.6876","0.0004","8.5767","0.0003","14.5354","0.0004","90","","93.627","0.002","90","","1702.96","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(dimethylsilyl)(dimethylchlorosilyl)niobocene hydrid","bis(cyclopentadienyl)(dimethylsilyl) (dimethylchlorosilyl)(hydrido) niobium (V)","","- C14 H24 Cl Nb Si2 -","- C14 H24 Cl Nb Si2 -","- C56 H96 Cl4 Nb4 Si8 -","4","1","","Dorogov, Konstantin Yu.; Dumont, Elise; Ho, Nam-Nhat; Churakov, Andrei V.; Kuzmina, Lyudmila G.; Poblet, Josep-Maria; Schultz, Arthur J.; Howard, Judith A. K.; Bau, Robert; Lledos, Agusti; Nikonov, Georgii I.","Neutron and X-ray Diffraction Studies and DFT Calculations of Asymmetric Bis(silyl) Niobocene Hydrides","Organometallics","2004","23","12","2845","2847","10.1021/om034239a","","","0.71073","MoKα","","0.0266","0.0247","","","0.0677","0.0691","","","1.43","","","1.155","","","","has coordinates","246743","2020-10-21","18:00:00",""
"4062571","14.9449","0.0005","8.933","0.0003","26.0528","0.0009","90","","99.408","0.002","90","","3431.3","0.2","83","2","83","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(dimethylsilyl)(dimethylbromosilyl)niobocene hydrid","bis(cyclopentadienyl)(dimethylsilyl) (dimethylbromosilyl)(hydrido) niobium (V)","","- C14 H24 Br Nb Si2 -","- C14 H23 Br Nb Si2 -","- C112 H184 Br8 Nb8 Si16 -","8","1","","Dorogov, Konstantin Yu.; Dumont, Elise; Ho, Nam-Nhat; Churakov, Andrei V.; Kuzmina, Lyudmila G.; Poblet, Josep-Maria; Schultz, Arthur J.; Howard, Judith A. K.; Bau, Robert; Lledos, Agusti; Nikonov, Georgii I.","Neutron and X-ray Diffraction Studies and DFT Calculations of Asymmetric Bis(silyl) Niobocene Hydrides","Organometallics","2004","23","12","2845","2847","10.1021/om034239a","","","0.71073","MoKα","","0.0993","0.0643","","","0.1529","0.1649","","","1.43","","","1.079","","","","has coordinates","246743","2020-10-21","18:00:00",""
"4062572","13.6876","0.0004","8.5767","0.0003","14.5354","0.0004","90","","93.627","0.002","90","","1702.96","0.09","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(dimethylsilyl)(dimethylchlorosilyl)niobocene hydrid","bis(cyclopentadienyl)(dimethylsilyl) (dimethylchlorosilyl)(hydrido) niobium (V)","","- C14.01 H23.03 Cl Nb Si2 -","- C14.008 H23.032 Cl Nb Si2 -","- C56.032 H92.128 Cl4 Nb4 Si8 -","4","1","","Dorogov, Konstantin Yu.; Dumont, Elise; Ho, Nam-Nhat; Churakov, Andrei V.; Kuzmina, Lyudmila G.; Poblet, Josep-Maria; Schultz, Arthur J.; Howard, Judith A. K.; Bau, Robert; Lledos, Agusti; Nikonov, Georgii I.","Neutron and X-ray Diffraction Studies and DFT Calculations of Asymmetric Bis(silyl) Niobocene Hydrides","Organometallics","2004","23","12","2845","2847","10.1021/om034239a","powder diffraction","","","","","","","","","","","","","1.43","","","","","","","has coordinates","246744","2020-10-21","18:00:00",""
"4062573","14.606","0.006","8.78","0.004","20.378","0.002","90","","95.701","0.019","90","","2600.4","1.6","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 B N2 -","- C33 H29 B N2 -","- C132 H116 B4 N8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034248j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062574","10.7263","0.0016","17.092","0.002","16.239","0.002","90","","92.631","0.012","90","","2974.1","0.7","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 B N2 -","- C37 H37 B N2 -","- C148 H148 B4 N8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034248j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062575","35.331","0.018","19.278","0.0017","16.489","0.009","90","","110.76","0.05","90","","10502","8","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H41 B Cl2 Co4 N2 O13 -","- C50 H39 B Cl2 Co4 N2 O13 -","- C400 H312 B8 Cl16 Co32 N16 O104 -","8","1","","","","Organometallics","2004","","","","","10.1021/om034248j","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062576","17.622","0.003","8.535","0.002","18.667","0.003","90","","106.32","0.02","90","","2694.5","0.9","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H32 O12 Rh2 S2 -","- C18 H32 O12 Rh2 S2 -","- C72 H128 O48 Rh8 S8 -","4","0.5","","Basato, Marino; Biffis, Andrea; Martinati, Gianluca; Zecca, Marco; Ganis, Paolo; Benetollo, Franco; Aronica, Laura A.; Caporusso, Anna M.","Cationic Carboxylato Complexes of Dirhodium(II) with Oxo Thioethers: Promising Catalysts with Unusual Coordination Modes","Organometallics","2004","23","8","1947","1952","10.1021/om0342560","","","","","","","","","","","","","","","","","","","","","has coordinates","209899","2020-10-21","18:00:00",""
"4062577","30.225","0.005","14.103","0.003","13.148","0.003","90","","93.08","0.03","90","","5596","2","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H29.5 B F4 O10.25 Rh2 S2 -","- C16 H29 B F4 O10.25 Rh2 S2 -","- C128 H232 B8 F32 O82 Rh16 S16 -","8","2","","Basato, Marino; Biffis, Andrea; Martinati, Gianluca; Zecca, Marco; Ganis, Paolo; Benetollo, Franco; Aronica, Laura A.; Caporusso, Anna M.","Cationic Carboxylato Complexes of Dirhodium(II) with Oxo Thioethers: Promising Catalysts with Unusual Coordination Modes","Organometallics","2004","23","8","1947","1952","10.1021/om0342560","","","","","","","","","","","","","","","","","","","","","has coordinates","209899","2020-10-21","18:00:00",""
"4062578","11.802","0.005","12.635","0.007","13.92","0.007","90","","102.28","0.04","90","","2028","1","293.2","","293.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H44 Cl2 Fe2 O2 P2 Si2 -","- C41 H44 Cl2 Fe2 O2 P2 Si2 -","- C82 H88 Cl4 Fe4 O4 P4 Si4 -","2","1","","Masaaki Okazaki; Kazuyuki Satoh; Kyeong A. Jung; Hiromi Tobita; Hiroshi Ogino","","Organometallics","2004","23","9","1971","1973","10.1021/om034264g","","","","","","","0.0469","","","0.0669","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062579","10.349","0.006","21.65","0.01","16.763","0.005","90","","92.55","0.03","90","","3752","2","293.2","","293.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Fe2 O2 P2 Si2 -","- C40 H42 Fe2 O2 P2 Si2 -","- C160 H168 Fe8 O8 P8 Si8 -","4","1","","Masaaki Okazaki; Kazuyuki Satoh; Kyeong A. Jung; Hiromi Tobita; Hiroshi Ogino","","Organometallics","2004","23","9","1971","1973","10.1021/om034264g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062580","9.8271","0.0012","13.32","0.0013","18.497","0.003","90","","100.183","0.018","90","","2383","0.5","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24.5 H24.5 N3.5 V -","- C24.388 H24.388 N3.484 V0.871 -","- C97.552 H97.552 N13.936 V3.484 -","4","2","","Lorber, Cristian; Choukroun, Robert; Vendier, Laure","Hydroamination of Alkynes Catalyzed by Imido Complexes of Titanium and Vanadium","Organometallics","2004","23","8","1845","1850","10.1021/om0342762","","","","","","","","","","","","","","","","","","","","","has coordinates","208949","2020-10-21","18:00:00",""
"4062581","8.4907","0.0018","10.816","0.003","13.5","0.003","90","","106.93","0.02","90","","1186.1","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N3 V -","- C10 H17 N3 V -","- C40 H68 N12 V4 -","4","1","","Lorber, Cristian; Choukroun, Robert; Vendier, Laure","Hydroamination of Alkynes Catalyzed by Imido Complexes of Titanium and Vanadium","Organometallics","2004","23","8","1845","1850","10.1021/om0342762","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","208949","2020-10-21","18:00:00",""
"4062582","14.6479","0.0013","11.6123","0.0011","18.0017","0.0016","90","","101.389","0.002","90","","3001.7","0.5","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl Ir O P2 -","- C31 H26 Cl Ir O P2 -","- C124 H104 Cl4 Ir4 O4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034282y","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062583","11.2689","0.001","20.7628","0.0018","14.9551","0.0013","90","","91.205","0.002","90","","3498.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 Cl4 Ir P2 -","- C37 H41 Cl4 Ir P2 -","- C148 H164 Cl16 Ir4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034282y","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062584","15.362","0.002","21.174","0.003","10.048","0.005","90","","90","","90","","3268.4","1.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H43 N2 P -","- C39 H43 N2 P -","- C156 H172 N8 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034302w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062585","11.924","0.002","12.3","0.002","13.216","0.003","75.7","0.008","79.25","0.008","81.178","0.013","1833.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H42 D6 Li N2 P -","- C45 H48 Li N2 P -","- C90 H96 Li2 N4 P2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034302w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062586","10.388","0.002","18.79","0.004","24.636","0.007","90","","91.982","0.008","90","","4805.8","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H60 Al N2 P -","- C51.5 H60 Al N2 P -","- C206 H240 Al4 N8 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034302w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062587","12.0811","0.0007","14.7741","0.0009","19.7917","0.0012","90","","101.635","0.0011","90","","3460","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Al N2 P -","- C39 H44 Al N2 P -","- C156 H176 Al4 N8 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034302w","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062588","6.191","0.007","10.431","0.012","8.407","0.01","90","","99.59","0.02","90","","535.3","1.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 N3 O2 P -","- C9 H16 N3 O2 P -","- C18 H32 N6 O4 P2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062589","8.506","0.01","11.121","0.013","23.51","0.03","90","","90","","90","","2224","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H16 N3 O3 P -","- C9 H16 N3 O3 P -","- C72 H128 N24 O24 P8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062590","12.53","0.004","15.62","0.004","17.576","0.005","77.533","0.005","85.937","0.005","88.832","0.005","3350.3","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H80 Cl8 N8 O7 P2 Pd2 -","- C60 H80 Cl8 N8 O7 P2 Pd2 -","- C120 H160 Cl16 N16 O14 P4 Pd4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062591","12","0.002","12.922","0.003","13.238","0.003","90","","116.076","0.004","90","","1843.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N3 O7 P W -","- C14 H16 N3 O7 P W -","- C56 H64 N12 O28 P4 W4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062592","11.836","0.013","13.693","0.014","22.41","0.02","90","","90","","90","","3633","7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cr N3 O7 P -","- C14 H16 Cr N3 O7 P -","- C112 H128 Cr8 N24 O56 P8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062593","8.712","0.003","19.087","0.005","13.488","0.004","90","","100.3","0.03","90","","2206.9","1.1","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cl2 N2 O Si2 Th -","- C12 H30 Cl2 N2 O Si2 Th -","- C48 H120 Cl8 N8 O4 Si8 Th4 -","4","1","","Jantunen, Kimberly C.; Batchelor, Raymond J.; Leznoff, Daniel B.","Synthesis, Characterization and Organometallic Derivatives of Diamidosilylether Thorium (IV) and Uranium (IV) Halide Complexes","Organometallics","2004","","","","","10.1021/om0343115","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062594","14.343","0.002","16.922","0.002","18.654","0.003","90","","90","","90","","4527.6","1.1","293","","293","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H30 Br1.46 Cl0.54 N2 O Si2 U -","- C12 H30 Br1.466 Cl0.534 N2 O Si2 U -","- C96 H240 Br11.728 Cl4.272 N16 O8 Si16 U8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343115","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062595","13.5107","0.0007","20.584","0.001","28.7743","0.0014","90","","99.474","0.002","90","","7893.1","0.7","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H67 Cl11 P4 Pt3 S2 -","- C65 H67 Cl11 P4 Pt3 S2 -","- C260 H268 Cl44 P16 Pt12 S8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034312x","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062596","12.8372","0.0012","14.8717","0.0014","19.6316","0.0019","90","","106.16","0.002","90","","3599.8","0.6","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C63 H65 Cl3 O4 P4 Pt3 S2 -","- C73 H54 Cl3 O4 P4 Pt3 S2 -","- C146 H108 Cl6 O8 P8 Pt6 S4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om034312x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178521","2020-10-21","18:00:00",""
"4062597","8.1218","0.0019","9.775","0.002","12.661","0.003","90","","93.735","0.004","90","","1003","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Cl N2 Pd -","- C22 H25 Cl N2 Pd -","- C44 H50 Cl2 N4 Pd2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178521","2020-10-21","18:00:00",""
"4062598","12.1527","0.0003","26.1821","0.0006","29.1065","0.0006","90","","90","","90","","9261.2","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H37 Cl N2 Pd -","- C26 H37 Cl N2 Pd -","- C416 H592 Cl16 N32 Pd16 -","16","2","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062599","6.8184","0.0006","16.05","0.0015","18.0676","0.0017","90","","90","","90","","1977.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Cl N2 Pd -","- C18 H29 Cl N2 Pd -","- C72 H116 Cl4 N8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062600","33.849","0.003","16.6102","0.0016","16.6402","0.0016","90","","101.004","0.002","90","","9183.8","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H29 Cl N2 Pd -","- C24 H29 Cl N2 Pd -","- C384 H464 Cl16 N32 Pd16 -","16","2","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178522","2020-10-21","18:00:00",""
"4062601","12.723","0.003","14.723","0.003","18.508","0.004","90","","99.488","0.004","90","","3419.4","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Cl N2 Pd -","- C36 H47 Cl N2 Pd -","- C144 H188 Cl4 N8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178522","2020-10-21","18:00:00",""
"4062602","11.0291","0.0004","9.9638","0.0004","14.3399","0.0005","90","","90","","90","","1575.84","0.1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl N2 Pd -","- C14 H25 Cl N2 Pd -","- C56 H100 Cl4 N8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062603","33.4907","0.0019","8.7129","0.0005","31.9254","0.0018","90","","103.739","0.001","90","","9049.3","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H31 Cl N2 Pd -","- C24 H31 Cl N2 Pd -","- C384 H496 Cl16 N32 Pd16 -","16","2","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062604","12.8305","0.0012","15.0902","0.0013","15.9887","0.0014","85.634","0.002","81.299","0.002","72.21","0.002","2912.2","0.4","150","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H43 Cl N2 Pd -","- C30 H43 Cl N2 Pd -","- C120 H172 Cl4 N8 Pd4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062605","10.6","0.002","12.176","0.003","18.977","0.004","90","","90","","90","","2449.2","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Ge4 O2 -","- C18 H36 Ge4 O2 -","- C72 H144 Ge16 O8 -","4","0.5","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062606","11.7301","0.0015","10.2316","0.0013","11.8851","0.0015","90","","114.89","0.002","90","","1293.9","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 O2 Si4 -","- C22 H36 O2 Si4 -","- C44 H72 O4 Si8 -","2","0.5","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062607","9.297","0.0019","11.214","0.002","19.78","0.004","90","","90","","90","","2062.2","0.7","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H28 O2 Si4 -","- C16 H28 O2 Si4 -","- C64 H112 O8 Si16 -","4","0.5","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062608","10.628","0.002","11.837","0.002","30.335","0.006","90","","90","","90","","3816.1","1.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H28 O2 Si3 -","- C15 H28 O2 Si3 -","- C120 H224 O16 Si24 -","8","1","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062609","6.7361","0.0013","10.819","0.002","10.402","0.002","90","","95.162","0.004","90","","755","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ge2 O2 -","- C12 H20 Ge2 O2 -","- C24 H40 Ge4 O4 -","2","0.5","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062610","12.222","0.002","10.729","0.002","12.906","0.003","90","","113.84","0.03","90","","1547.9","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O2 Si2 -","- C14 H20 O2 Si2 -","- C56 H80 O8 Si8 -","4","1","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062611","7.435","0.005","6.59","0.005","22.1","0.015","90","","99.067","0.013","90","","1069.3","1.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O2 Si2 -","- C22 H24 O2 Si2 -","- C44 H48 O4 Si4 -","2","0.5","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062612","15.287","0.005","18.889","0.007","33.168","0.011","90","","90","","90","","9577","6","193","2","193","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C44 H57 F6 N2 O Os P2 Sb Si -","- C44 H57 F6 N2 O Os P2 Sb Si -","- C352 H456 F48 N16 O8 Os8 P16 Sb8 Si8 -","8","2","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Organometallics","2004","","","","","10.1021/om034329f","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062613","10.665","0.002","13.839","0.003","9.635","0.002","108.77","0.03","90.55","0.03","77.99","0.03","1314.4","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cl4 Si Zr -","- C28 H26 Cl4 Si Zr -","- C56 H52 Cl8 Si2 Zr2 -","2","1","","Arto Puranen; Martti Klinga; Markku Leskelä; Timo Repo","Rac and Meso Diastereomers of an Unsymmetric Zirconocene Produce Polypropene with Similar Tacticity","Organometallics","2004","","","","","10.1021/om034332z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062614","13.371","0.006","13.509","0.006","13.777","0.007","90","","107.313","0.006","90","","2375","1","223.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 F3 N2 O3 Ru S -","- C23 H27 F3 N2 O3 Ru S -","- C92 H108 F12 N8 O12 Ru4 S4 -","4","1","","Ogo, Seiji; Uehara, Keiji; Abura, Tsutomu; Watanabe, Yoshihito; Fukuzumi, Shunichi","Aqueous Polymerization of Styrene Promoted by Water-Soluble Robust Ruthenium Hydride Complexes","Organometallics","2004","23","12","3047","3052","10.1021/om034335b","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4062615","10.911","0.003","10.932","0.003","14.64","0.004","101.227","0.004","90.509","0.005","96.954","0.004","1699.1","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 N2 Ni O4 P2 S4 -","- C26 H38 N2 Ni O4 P2 S4 -","- C52 H76 N4 Ni2 O8 P4 S8 -","2","1","","Enmanuel Boillos; Daniel Miguel","Alkyl Transfer Reactivity in the First Octahedral Isocyanide Complex of Nickel(II)","Organometallics","2004","","","","","10.1021/om0343364","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062616","16.5217","0.0012","13.9033","0.001","15.3086","0.0011","90","","90.104","0.002","90","","3516.5","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 Cl2 N Ni O2 P2 S2 -","- C30 H49 Cl2 N Ni O2 P2 S2 -","- C120 H196 Cl8 N4 Ni4 O8 P8 S8 -","4","1","","Enmanuel Boillos; Daniel Miguel","Alkyl Transfer Reactivity in the First Octahedral Isocyanide Complex of Nickel(II)","Organometallics","2004","","","","","10.1021/om0343364","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062617","15.406","0.005","13.201","0.004","22.338","0.007","90","","102.738","0.006","90","","4431","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N2 Ni O2 P S2 -","- C20 H23 N2 Ni O2 P S2 -","- C160 H184 N16 Ni8 O16 P8 S16 -","8","1","","Enmanuel Boillos; Daniel Miguel","Alkyl Transfer Reactivity in the First Octahedral Isocyanide Complex of Nickel(II)","Organometallics","2004","","","","","10.1021/om0343364","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062618","11.657","0.006","13.101","0.007","15.337","0.008","98.199","0.009","109.124","0.01","110.843","0.009","1977.2","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H44 N4 Ni O4 P2 S4 -","- C34 H44 N4 Ni O4 P2 S4 -","- C68 H88 N8 Ni2 O8 P4 S8 -","2","1","","Enmanuel Boillos; Daniel Miguel","Alkyl Transfer Reactivity in the First Octahedral Isocyanide Complex of Nickel(II)","Organometallics","2004","","","","","10.1021/om0343364","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062619","18.3145","0.0015","17.6376","0.0015","12.6483","0.0011","90","","105.094","0.0019","90","","3944.7","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 Cl N3 Sc -","- C39 H63 Cl N3 Sc -","- C156 H252 Cl4 N12 Sc4 -","4","1","","Knight, L.; Piers, W. E.; Fleurat-Lessard, P.; Parvez, M.; McDonald, R.","β-Diketiminato Scandium Chemistry: Synthesis, Characterization, and Thermal Behavior of Primary Amido Alkyl Derivatives","Organometallics","2004","23","","2087","2094","10.1021/om034345c","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062620","10.9568","0.0005","12.9352","0.0006","19.6028","0.0009","77.8167","0.0009","73.7643","0.0009","65.6747","0.0009","2416.02","0.19","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H78 Cl N3 Sc -","- C50 H78 Cl N3 Sc -","- C100 H156 Cl2 N6 Sc2 -","2","1","","Knight, L.; Piers, W. E.; Fleurat-Lessard, P.; Parvez, M.; McDonald, R.","β-Diketiminato Scandium Chemistry: Synthesis, Characterization, and Thermal Behavior of Primary Amido Alkyl Derivatives","Organometallics","2004","23","","2087","2094","10.1021/om034345c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062621","11.2559","0.0008","12.449","0.0009","15.4106","0.0011","88.2825","0.0014","89.3523","0.0015","65.4512","0.0015","1963.3","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 N3 Sc -","- C40 H66 N3 Sc -","- C80 H132 N6 Sc2 -","2","1","","Knight, L.; Piers, W. E.; Fleurat-Lessard, P.; Parvez, M.; McDonald, R.","β-Diketiminato Scandium Chemistry: Synthesis, Characterization, and Thermal Behavior of Primary Amido Alkyl Derivatives","Organometallics","2004","23","","2087","2094","10.1021/om034345c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062622","13.5396","0.0002","18.1218","0.0002","18.556","0.0002","90","","90","","90","","4552.94","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H74 N3 Sc -","- C48 H74 N3 Sc -","- C192 H296 N12 Sc4 -","4","1","","Knight, L.; Piers, W. E.; Fleurat-Lessard, P.; Parvez, M.; McDonald, R.","β-Diketiminato Scandium Chemistry: Synthesis, Characterization, and Thermal Behavior of Primary Amido Alkyl Derivatives","Organometallics","2004","23","","2087","2094","10.1021/om034345c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062623","12.147","0.003","17.49","0.005","18.028","0.006","90","","96.116","0.012","90","","3808.3","1.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H62 N3 Sc -","- C39 H62 N3 Sc -","- C156 H248 N12 Sc4 -","4","1","","Knight, L.; Piers, W. E.; Fleurat-Lessard, P.; Parvez, M.; McDonald, R.","β-Diketiminato Scandium Chemistry: Synthesis, Characterization, and Thermal Behavior of Primary Amido Alkyl Derivatives","Organometallics","2004","23","","2087","2094","10.1021/om034345c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178522","2020-10-21","18:00:00",""
"4062624","33.327","0.009","9.3291","0.0014","19.595","0.008","90","","106.01","0.03","90","","5856","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 Cr N O5 P -","- C31 H24 Cr N O5 P -","- C248 H192 Cr8 N8 O40 P8 -","8","1","","Israel Fernández; María José Mancheño; Mar Gómez-Gallego; Tore Lejon; Lars K. Larsen","New Imidate Chromium Complexes from the Metathesis-Like Reaction of Phosphineimines and Chromium (0) Fisher Carbene Complexes","Organometallics","2004","23","8","1851","1856","10.1021/om034347x","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062625","8.479","0.005","19.603","0.005","21.125","0.005","73.641","0.005","85.148","0.005","89.585","0.005","3357","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H84 Fe2 P4 -","- C79 H84 Fe2 P4 -","- C158 H168 Fe4 P8 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034359i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062626","8.854","0.013","11.312","0.013","12.5","0.02","78.76","0.12","78.19","0.12","80.52","0.09","1192","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 I N2 Ni -","- C27 H27 I N2 Ni -","- C54 H54 I2 N4 Ni2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034363u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062627","8.86","0.1","9","0.2","18.3","0.2","98.4","0.5","95.92","0.012","101.5","0.3","1393.7","3.4","173","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H47 P2 Rh -","- C29 H47 P2 Rh -","- C58 H94 P4 Rh2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034363u","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062628","15.181","0.004","14.173","0.004","35.52","0.009","90","","90","","90","","7642","4","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H38 Cl2 N2 Ni P2 Ru2 S2 -","- C31 H38 Cl2 N2 Ni P2 Ru2 S2 -","- C248 H304 Cl16 N16 Ni8 P16 Ru16 S16 -","8","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Organometallics","2004","","","","","10.1021/om034373v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4062629","14.4215","0.0006","17.3662","0.0007","18.5927","0.0008","90","","90","","90","","4656.5","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H19 B N6 O Ru S2 -","- C22 H19 B N6 O Ru S2 -","- C176 H152 B8 N48 O8 Ru8 S16 -","8","1","","Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Reaction of Diaryldisulfides with RuTp(COD)Cl in N,N'-Dimethylformamide - Formation of 2-Arylmercapto-arylmercaptan Complexes","Organometallics","2004","","","","","10.1021/om034375f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062630","8.5884","0.0005","12.8266","0.0008","9.4705","0.0006","90","","113.708","0.002","90","","955.22","0.1","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Al2 Cl2 N2 O4 -","- C14 H22 Al2 Cl2 N2 O4 -","- C28 H44 Al4 Cl4 N4 O8 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om0343770","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062631","29.6703","0.0009","11.6299","0.0004","20.0057","0.0006","90","","109.388","0.002","90","","6511.8","0.4","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H38.5 Al2 Cl2 N4.5 O4 -","- C28.5 H38.5 Al2 Cl2 N4.5 O4 -","- C228 H308 Al16 Cl16 N36 O32 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343770","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062632","9.5657","0.0005","10.6146","0.0006","10.6989","0.0006","90","","95.711","0.002","90","","1080.93","0.1","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Al2 Cl2 N2 O6 -","- C18 H30 Al2 Cl2 N2 O6 -","- C36 H60 Al4 Cl4 N4 O12 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om0343770","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062633","31.662","0.006","8.807","0.002","27.268","0.006","90","","95.52","0.03","90","","7568","3","253","2","253","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H33.5 F6 N7.5 P Ru -","- C39 H33.5 F6 N7.5 P Ru -","- C312 H268 F48 N60 P8 Ru8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om034379k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062634","8.596","0.002","12.617","0.003","14.961","0.003","77.98","0.03","80.13","0.03","86.92","0.03","1563.3","0.6","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H26 F6 N5 O P Ru -","- C34 H26 F6 N5 O P Ru -","- C68 H52 F12 N10 O2 P2 Ru2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034379k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062635","10.453","0.002","11.733","0.002","35.257","0.007","90","","97.44","0.03","90","","4287.7","1.5","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl6 N5 O10 Ru -","- C37 H35 Cl6 N5 O10 Ru -","- C148 H140 Cl24 N20 O40 Ru4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034379k","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062636","10.64","0.004","20.378","0.007","20.555","0.007","64.241","0.005","82.931","0.006","82.307","0.007","3967","2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N2 Th -","- C46 H50 N2 Th -","- C184 H200 N8 Th4 -","4","2","","Kimberly C. Jantunen; Carol J. Burns; Ingrid Castro-Rodriguez; Ryan E. Da Re; Jeffery T. Golden; David E. Morris; Brian L. Scott; Felicia L. Taw; Jaqueline L. Kiplinger","Thorium(IV) and Uranium(IV) Ketimide Complexes Prepared by Nitrile Insertion in ActinideAlkyl and -Aryl Bonds","Organometallics","2004","","","","","10.1021/om0343824","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062637","15.416","0.005","13.461","0.005","19.347","0.006","90","","94.673","0.006","90","","4001","2","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 N2 Th -","- C48 H54 N2 Th -","- C192 H216 N8 Th4 -","4","0.5","","Kimberly C. Jantunen; Carol J. Burns; Ingrid Castro-Rodriguez; Ryan E. Da Re; Jeffery T. Golden; David E. Morris; Brian L. Scott; Felicia L. Taw; Jaqueline L. Kiplinger","Thorium(IV) and Uranium(IV) Ketimide Complexes Prepared by Nitrile Insertion in ActinideAlkyl and -Aryl Bonds","Organometallics","2004","","","","","10.1021/om0343824","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062638","9.886","0.003","12.41","0.004","24.078","0.007","90","","100.639","0.005","90","","2903.1","1.4","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Th -","- C34 H44 Th -","- C136 H176 Th4 -","4","1","","Kimberly C. Jantunen; Carol J. Burns; Ingrid Castro-Rodriguez; Ryan E. Da Re; Jeffery T. Golden; David E. Morris; Brian L. Scott; Felicia L. Taw; Jaqueline L. Kiplinger","Thorium(IV) and Uranium(IV) Ketimide Complexes Prepared by Nitrile Insertion in ActinideAlkyl and -Aryl Bonds","Organometallics","2004","","","","","10.1021/om0343824","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062639","8.3232","0.0014","17.302","0.003","8.4939","0.0015","90","","117.185","0.003","90","","1088.1","0.3","203","2","203","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C22 H36 Th -","- C22 H6 Th -","- C44 H12 Th2 -","2","0.5","","Kimberly C. Jantunen; Carol J. Burns; Ingrid Castro-Rodriguez; Ryan E. Da Re; Jeffery T. Golden; David E. Morris; Brian L. Scott; Felicia L. Taw; Jaqueline L. Kiplinger","Thorium(IV) and Uranium(IV) Ketimide Complexes Prepared by Nitrile Insertion in ActinideAlkyl and -Aryl Bonds","Organometallics","2004","","","","","10.1021/om0343824","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062640","15.272","0.003","13.469","0.003","19.301","0.004","90","","94.784","0.004","90","","3956.3","1.4","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 N2 U -","- C48 H54 N2 U -","- C192 H216 N8 U4 -","4","0.5","","Kimberly C. Jantunen; Carol J. Burns; Ingrid Castro-Rodriguez; Ryan E. Da Re; Jeffery T. Golden; David E. Morris; Brian L. Scott; Felicia L. Taw; Jaqueline L. Kiplinger","Thorium(IV) and Uranium(IV) Ketimide Complexes Prepared by Nitrile Insertion in ActinideAlkyl and -Aryl Bonds","Organometallics","2004","","","","","10.1021/om0343824","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062641","9.772","0.003","12.328","0.004","24.037","0.007","90","","100.514","0.005","90","","2847.2","1.5","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 U -","- C34 H44 U -","- C136 H176 U4 -","4","1","","Kimberly C. Jantunen; Carol J. Burns; Ingrid Castro-Rodriguez; Ryan E. Da Re; Jeffery T. Golden; David E. Morris; Brian L. Scott; Felicia L. Taw; Jaqueline L. Kiplinger","Thorium(IV) and Uranium(IV) Ketimide Complexes Prepared by Nitrile Insertion in ActinideAlkyl and -Aryl Bonds","Organometallics","2004","","","","","10.1021/om0343824","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062642","31.797","0.005","31.797","0.005","8.438","0.003","90","","90","","90","","8532","3","203","2","203","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C22 H36 U -","- C22 H36 U -","- C352 H576 U16 -","16","1","","Kimberly C. Jantunen; Carol J. Burns; Ingrid Castro-Rodriguez; Ryan E. Da Re; Jeffery T. Golden; David E. Morris; Brian L. Scott; Felicia L. Taw; Jaqueline L. Kiplinger","Thorium(IV) and Uranium(IV) Ketimide Complexes Prepared by Nitrile Insertion in ActinideAlkyl and -Aryl Bonds","Organometallics","2004","","","","","10.1021/om0343824","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062643","23.4132","0.0009","6.1253","0.0002","24.7974","0.0009","90","","115.592","0.001","90","","3207.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N3 O6 S3 -","- C33 H33 N3 O6 S3 -","- C132 H132 N12 O24 S12 -","4","1","","Pla-Quintana, Anna; Roglans, Anna; Torrent, Anna; Moreno-Mañas, Marcial; Benet-Buchholz, Jordi","Synthesis of Nitrogen-Containing 15-Membered Triacetylenic Macrocycles. Stable Complex with Palladium(0)","Organometallics","2004","","","","","10.1021/om034384o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062644","8.5644","0.0007","10.4573","0.0009","35.603","0.003","90","","94.302","0.004","90","","3179.6","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O6 Pd S3 -","- C33 H33 N3 O6 Pd S3 -","- C132 H132 N12 O24 Pd4 S12 -","4","1","","Pla-Quintana, Anna; Roglans, Anna; Torrent, Anna; Moreno-Mañas, Marcial; Benet-Buchholz, Jordi","Synthesis of Nitrogen-Containing 15-Membered Triacetylenic Macrocycles. Stable Complex with Palladium(0)","Organometallics","2004","","","","","10.1021/om034384o","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062645","22.14","0.003","11.365","0.0014","28.0281","0.001","90","","111.781","0.007","90","","6548.9","1.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H35 B Ir N4 O2.5 -","- C36.5 H35 B Ir N4 O2.5 -","- C292 H280 B8 Ir8 N32 O20 -","8","2","","Suzanne Burling; Leslie D. Field; Barbara A. Messerle; Peter Turner","Intramolecular Hydroamination Catalysed by Cationic Rhodium and Iridium Complexes with Bidentate Nitrogen-donor Ligands","Organometallics","2004","","","","","10.1021/om0343871","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062646","24.621","0.005","39.049","0.008","14.417","0.003","90","","105.29","0.03","90","","13370","5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H188 K4 O24 Si12 -","- C96 H188 K4 O24 Si12 -","- C384 H752 K16 O96 Si48 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034396+","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062647","10.766","0.002","9.767","0.002","29.098","0.006","90","","96.96","0.03","90","","3037.2","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Si8 -","- C16 H48 Si8 -","- C64 H192 Si32 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034396+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062648","10.191","0.002","10.399","0.002","17.531","0.004","83.09","0.03","85.08","0.03","60.68","0.03","1607.4","0.6","274","2","274","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H50 Si7 -","- C18 H50 Si7 -","- C36 H100 Si14 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034396+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062649","12.984","0.003","18.681","0.004","22.816","0.005","90","","90","","90","","5534.3","1.9","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H83 Na O4 Si11 -","- C29 H83 Na O4 Si11 -","- C116 H332 Na4 O16 Si44 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034396+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062650","12.577","0.003","15.503","0.003","20.319","0.004","80.16","0.03","72.47","0.03","71.57","0.03","3571.7","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H108 K2 O12 Si10 -","- C48 H108 K2 O12 Si10 -","- C96 H216 K4 O24 Si20 -","2","1","","","","Organometallics","2004","","","","","10.1021/om034396+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062651","20.389","0.004","35.761","0.007","15.244","0.003","90","","90","","90","","11115","4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H80 K2 O12 Si5 -","- C39 H80 K2 O12 Si5 -","- C312 H640 K16 O96 Si40 -","8","1","","","","Organometallics","2004","","","","","10.1021/om034396+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062652","11.7391","0.0012","13.2219","0.001","14.1111","0.0012","94.154","0.006","113.61","0.007","111.576","0.007","1803.2","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","cis-[dichloro(terpyridine)(1,2-eta-2-2-aza-1,7-diphenylhepta-1,2,4,6-tetraenium hexafluorophosphate deuteroacetone solvate","","","- C36 H27 Cl2 D6 F6 N4 O Os P -","- C36 H33 Cl2 F6 N4 O Os P -","- C72 H66 Cl4 F12 N8 O2 Os2 P2 -","2","1","","Maestri, Aaron G.; Taylor, Scheroi D.; Schuck, Stephany M.; Brown, Seth N.","Cleavage of Conjugated Alkenes by Cationic Osmium Nitrides: Scope of the Reaction and Dynamics of the Azaallenium Products","Organometallics","2004","23","8","1932","1946","10.1021/om034404m","","","","","","","0.0342","","","0.0715","","","","","","","","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4062653","13.465","0.005","27.531","0.01","29.197","0.01","90","","90","","90","","10823","7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H104 N4 O18 Ti4 -","- C96 H96 N4 O18 Ti4 -","- C384 H384 N16 O72 Ti16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034408r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062654","12.7085","0.0005","14.8859","0.0006","25.994","0.001","91.414","0.003","96.971","0.003","113.825","0.003","4450.4","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C95.5 H110 Al8 Fe6 N2 -","- C95.5 H110 Al8 Fe6.002 N2 -","- C191 H220 Al16 Fe12.004 N4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om040015w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062655","12.5492","0.0003","15.3825","0.0004","12.97","0.0004","90","","103.231","0.0001","90","","2437.24","0.11","203","","203","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Cl2 Ir Li O3 S -","- C20 H32 Cl2 Ir Li O3 S -","- C80 H128 Cl8 Ir4 Li4 O12 S4 -","4","1","","Prócoro Gamero-Melo; Marisol Cervantes Vásquez; Armando Ramírez Monroy; M. Esther Sánchez Castro","'Synthesis, NMR, and X-ray Molecular Structure of a Novel Butadiensulfinate Iridium Dimer and its transformation into Mononuclear Cp*IrCl[(1,2,5-η)SO^2^CH=CRCH=CHR]Complex'","Organometallics","2004","","","","","10.1021/om040021s","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062656","8.3875","0.0003","14.7045","0.0005","18.038","0.0007","90","","90.674","0.002","90","","2224.54","0.14","293","2","203","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cl2 Ir Li O3 S -","- C18 H28 Cl2 Ir Li O3 S -","- C72 H112 Cl8 Ir4 Li4 O12 S4 -","4","1","","Prócoro Gamero-Melo; Marisol Cervantes Vásquez; Armando Ramírez Monroy; M. Esther Sánchez Castro","'Synthesis, NMR, and X-ray Molecular Structure of a Novel Butadiensulfinate Iridium Dimer and its transformation into Mononuclear Cp*IrCl[(1,2,5-η)SO^2^CH=CRCH=CHR]Complex'","Organometallics","2004","","","","","10.1021/om040021s","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062657","12.167","0.001","15.956","0.002","18.452","0.002","90","","90","","90","","3582.2","0.7","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 I N2 Pt -","- C18 H19 I N2 Pt -","- C144 H152 I8 N16 Pt8 -","8","1","","Bayler, Angela; Canty, Allan J.; Ryan, John H.; Skelton, Brian W.; White, Allan H.","Arylation of palladium(II) and platinum(II) by diphenyliodonium triflate to form metal(IV) species, and a structural analysis of PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).","Organometallics","2004","","","","","10.1021/om040023c","","","","","","","","","","","","","","","","","","","","","has coordinates","208199","2020-10-21","18:00:00",""
"4062658","8.65","0.003","8.882","0.003","12.886","0.004","81.391","0.006","77.544","0.006","70.468","0.006","907.8","0.5","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 I N2 Pt -","- C20 H21 I N2 Pt -","- C40 H42 I2 N4 Pt2 -","2","1","","Bayler, Angela; Canty, Allan J.; Ryan, John H.; Skelton, Brian W.; White, Allan H.","Arylation of palladium(II) and platinum(II) by diphenyliodonium triflate to form metal(IV) species, and a structural analysis of PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).","Organometallics","2004","","","","","10.1021/om040023c","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4062659","9.8845","0.0008","14.8976","0.001","22.312","0.002","90","","95.671","0.002","90","","3269.5","0.5","150","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 F3 I2 O3 S -","- C13 H9 F3 I2 O3 S -","- C104 H72 F24 I16 O24 S8 -","8","2","","Bayler, Angela; Canty, Allan J.; Ryan, John H.; Skelton, Brian W.; White, Allan H.","Arylation of palladium(II) and platinum(II) by diphenyliodonium triflate to form metal(IV) species, and a structural analysis of PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).","Organometallics","2004","","","","","10.1021/om040023c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062660","12.462","0.001","16.896","0.001","17.501","0.001","90","","90","","90","","3685","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 Al N2 O2 -","- C16 H29 Al N2 O2 -","- C128 H232 Al8 N16 O16 -","8","2","","Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard","Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.","Organometallics","2004","","","","","10.1021/om0400245","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062661","8.528","0.001","10.19","0.001","18.087","0.001","90","","90","","90","","1571.8","0.3","173","2","173","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C12 H19 Al Cl2 N2 O2 -","- C12 H19 Al Cl2 N2 O2 -","- C48 H76 Al4 Cl8 N8 O8 -","4","1","","Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard","Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.","Organometallics","2004","","","","","10.1021/om0400245","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062662","13.349","0.005","16.348","0.005","18.623","0.005","89.25","0.05","89.68","0.05","89.3","0.05","4063","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Al B F15 N3 O2 -","- C40 H36 Al B F15 N3 O2 -","- C160 H144 Al4 B4 F60 N12 O8 -","4","2","","Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard","Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.","Organometallics","2004","","","","","10.1021/om0400245","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062663","12.842","0.001","19.392","0.002","15.786","0.001","90","","98.21","0.05","90","","3890.9","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H18 Al B F21 N2 O2 -","- C37 H18 Al B F21 N2 O2 -","- C148 H72 Al4 B4 F84 N8 O8 -","4","1","","Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard","Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.","Organometallics","2004","","","","","10.1021/om0400245","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062664","38.345","0.013","11.269","0.004","17.707","0.006","90","","114.094","0.008","90","","6985","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 N O10 Os3 Sn -","- C26 H35 N O10 Os3 Sn -","- C208 H280 N8 O80 Os24 Sn8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0400301","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178522","2020-10-21","18:00:00",""
"4062665","17.794","0.001","11.656","0.001","17.483","0.001","90","","93.85","0.001","90","","3617.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 N O10 Os3 Sn -","- C27 H39 N O10 Os3 Sn -","- C108 H156 N4 O40 Os12 Sn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0400301","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178522","2020-10-21","18:00:00",""
"4062666","9.405","0.001","10.557","0.001","12.768","0.001","83.848","0.001","84.707","0.001","77.25","0.001","1226.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 N O10 Os3 Sn -","- C15 H17 N O10 Os3 Sn -","- C30 H34 N2 O20 Os6 Sn2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0400301","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062667","10.652","0.001","17.897","0.001","13.304","0.001","90","","101.656","0.001","90","","2484","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O10 Os3 Sn -","- C17 H19 N O10 Os3 Sn -","- C68 H76 N4 O40 Os12 Sn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0400301","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062668","10.717","0.001","17.096","0.001","15.517","0.001","90","","110.004","0.001","90","","2671.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O10 Os3 Sn -","- C18 H21 N O10 Os3 Sn -","- C72 H84 N4 O40 Os12 Sn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0400301","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062669","14.185","0.001","20.369","0.002","21.522","0.002","90","","90","","90","","6218.4","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Cl3 N O10 Os3 Sn -","- C19 H22 Cl3 N O10 Os3 Sn -","- C152 H176 Cl24 N8 O80 Os24 Sn8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0400301","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062670","10.417","0.001","11.093","0.001","12.765","0.001","104.043","0.001","107.687","0.001","95.052","0.001","1342.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 N O11 Os3 Sn -","- C17 H19 N O11 Os3 Sn -","- C34 H38 N2 O22 Os6 Sn2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0400301","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062671","10.3434","0.0005","12.6084","0.0007","16.4528","0.0009","84.595","0.003","76.211","0.002","82.998","0.003","2063.56","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H45 Cl N O3 P3 Ru -","- C47 H45 Cl N O3 P3 Ru -","- C94 H90 Cl2 N2 O6 P6 Ru2 -","2","1","","Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José","Base-Assisted Cyclometallation and Phosphorus-Carbon Bond Cleavage in (Arene)ruthenium(II) Complexes Containing Functionalized Iminophosphorane-Phosphine Ligands Ph2PCH2P{=NP(=X)(OR)2}Ph2 (X = O, S; R = Et, Ph)","Organometallics","2004","23","14","3425","3436","10.1021/om040033d","","","","","","","","","","","","","","","","","","","","","has coordinates","133629","2020-10-21","18:00:00",""
"4062672","10.859","0.004","12.174","0.002","15.189","0.004","69.71","0.03","87.735","0.019","69.09","0.02","1751.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H40 N O4 P3 Ru S -","- C35 H40 N O4 P3 Ru S -","- C70 H80 N2 O8 P6 Ru2 S2 -","2","1","","Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José","Base-Assisted Cyclometallation and Phosphorus-Carbon Bond Cleavage in (Arene)ruthenium(II) Complexes Containing Functionalized Iminophosphorane-Phosphine Ligands Ph2PCH2P{=NP(=X)(OR)2}Ph2 (X = O, S; R = Et, Ph)","Organometallics","2004","23","14","3425","3436","10.1021/om040033d","","","","","","","","","","","","","","","","","","","","","has coordinates","133629","2020-10-21","18:00:00",""
"4062673","13.689","0.001","13.689","0.001","20.098","0.001","90","","90","","90","","3766.1","0.4","173","2","173","2","","","","","","","","3","I -4","I -4","82","","","","- C32 H20 Sn -","- C32 H20 Sn -","- C192 H120 Sn6 -","6","0.75","","Mohammed Lahcini; Pascal Castro; Mikko Kalmi; Martti Klinga; Markku Leskelä; Timo Repo","Tetrakis(phenylethynyl)tin(IV): a Novel Initiator for the Ring-Opening Polymerization of Lactide","Organometallics","2004","","","","","10.1021/om0400402","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062674","15.0855","0.0013","9.9703","0.0009","19.0401","0.0016","90","","112.684","0.002","90","","2642.2","0.4","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C20.4 H11 Cl0.8 N2 O9 Os3 S -","- C20.4 H11 Cl0.8 N2 O9 Os3 S -","- C81.6 H44 Cl3.2 N8 O36 Os12 S4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om040046r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062675","18.545","0.0018","18.545","0.0018","12.621","0.002","90","","90","","120","","3759.1","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H15 N3 O9 Os3 -","- C21 H15 N3 O9 Os3 -","- C126 H90 N18 O54 Os18 -","6","1","","","","Organometallics","2004","","","","","10.1021/om040046r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062676","14.2114","0.0017","14.0071","0.0017","14.5748","0.0018","90","","104.087","0.002","90","","2814","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 B F3 N7 O6 S W -","- C21 H25 B F3 N7 O6 S W -","- C84 H100 B4 F12 N28 O24 S4 W4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0400548","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062677","12.013","0.008","13.266","0.009","19.97","0.013","90","","104.964","0.012","90","","3075","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 B2 F4 N7 O4 W -","- C23 H31 B2 F4 N7 O4 W -","- C92 H124 B8 F16 N28 O16 W4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0400548","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062678","14.6582","0.0007","13.8294","0.0006","15.0128","0.0007","90","","106.63","0.001","90","","2916","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 B F3 N7 O6 S W -","- C22 H27 B F3 N7 O6 S W -","- C88 H108 B4 F12 N28 O24 S4 W4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0400548","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062679","12.216","0.003","9.425","0.001","18.315","0.007","90","","104.06","0.03","90","","2045.5","1","0","2","0","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I Mo O3 P Pd -","- C18 H18 I Mo O3 P Pd -","- C72 H72 I4 Mo4 O12 P4 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0400595","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062680","11.416","0.001","21.473","0.003","24.265","0.003","68.61","0.05","77.52","0.05","81.59","0.05","5392.9","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H49 Al B F15 N2 O -","- C59 H49 Al B F15 N2 O -","- C236 H196 Al4 B4 F60 N8 O4 -","4","2","","Dagorne Samuel; Janowska Izabela; Welter Richard; Jaouen Gerard","Synthesis and Structure of a Four-coordinate Al Alkyl Cation/ HB(C6F5)3 Salt: Application in a B(C6F5)3-catalyzed hydroalumination reaction of benzophenone or benzaldehyde.","Organometallics","2004","","","","","10.1021/om0400806","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062681","12.225","0.003","14.361","0.003","19.449","0.005","71.585","0.004","75.007","0.005","83.868","0.004","3128.3","1.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 I N4 U -","- C64 H96 I N4 U -","- C128 H192 I2 N8 U2 -","2","1","","Robert J. Wright; Philip P. Power; Brian L. Scott; Jaqueline L. Kiplinger","An Uncommon η^3^-(N,C,C)-1-aza-allyl bonding mode for the nacnac ligand: a bis(β-diketiminato) uranium(III) iodide complex","Organometallics","2004","","","","","10.1021/om049342u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062682","9.0223","0.0014","9.8916","0.0016","42.043","0.007","90","","90","","90","","3752.1","1","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H64 Cl2 P2 Ru -","- C39 H63.6 Cl2 P2 Ru -","- C156 H254.4 Cl8 P8 Ru4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049370c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062683","17.0553","0.0004","20.1437","0.0006","19.2039","0.0006","90","","90","","90","","6597.6","0.3","150","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Ru(xantsil)(CO)(PMe3)3","","","- C29 H51 O2 P3 Ru Si2 -","- C29 H51 O2 P3 Ru Si2 -","- C232 H408 O16 P24 Ru8 Si16 -","8","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049379e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062684","15.9513","0.0005","10.5822","0.0003","25.8317","0.001","90","","101.352","0.001","90","","4275.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ru(xantsil)(CO)3(PCy3)","","","- C41 H57 Cl2 O4 P Ru Si2 -","- C41 H59 Cl2 O4 P Ru Si2 -","- C164 H236 Cl8 O16 P4 Ru4 Si8 -","4","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049379e","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062685","9.232","0.003","11.013","0.003","12.051","0.003","67.26","0.02","74.9","0.02","69.31","0.02","1046.2","0.5","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 O3 Si -","- C24 H28 O3 Si -","- C48 H56 O6 Si2 -","2","1","","Rudolf Pietschnig; Ferdinand Belaj","","Organometallics","2004","","","","","10.1021/om049410c","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062686","11.2214","0.0011","11.2311","0.0011","18.2964","0.0017","85.787","0.002","85.772","0.002","61.523","0.002","2019.4","0.3","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H62 N P2 Re Si2 -","- C38 H62 N P2 Re Si2 -","- C76 H124 N2 P4 Re2 Si4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049424i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062687","20.6673","0.0009","36.7765","0.0015","11.0869","0.0004","90","","90","","90","","8426.8","0.6","114","2","114","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H70 N P2 Re Si4 -","- C32 H70 N P2 Re Si4 -","- C256 H560 N8 P16 Re8 Si32 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049424i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062688","11.591","0.007","18.098","0.01","35.79","0.019","90","","98.33","0.014","90","","7429","7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H61 Cl N P2 Ru Si2 -","- C33 H61 Cl N P2 Ru Si2 -","- C264 H488 Cl8 N8 P16 Ru8 Si16 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049435b","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062689","16.5797","0.0003","17.8424","0.0003","14.4307","0.0002","93.8181","0.0007","104.973","0.0008","74.3497","0.0009","3971.1","0.1","113.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H69 Cl N2 P4 Ti W -","- C32 H69 Cl N2 P4 Ti W -","- C128 H276 Cl4 N8 P16 Ti4 W4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049447x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062690","16.5426","0.0007","17.8446","0.0009","14.4551","0.0008","93.979","0.002","105.131","0.003","74.26","0.002","3964.7","0.3","93.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H72 N2 P4 Ti W -","- C33 H72 N2 P4 Ti W -","- C132 H288 N8 P16 Ti4 W4 -","4","2","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062691","13.057","0.001","16.587","0.002","15.045","0.002","90","","103.82","0.01","90","","3164.1","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H49 Cl15 N O7 P Ru2 -","- C55 H49 Cl15 N O7 P Ru2 -","- C110 H98 Cl30 N2 O14 P2 Ru4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049453t","","","","","","","","","","","","","","","","","","","","","has coordinates","178522","2020-10-21","18:00:00",""
"4062692","14.4104","0.0008","15.8579","0.0008","25.1106","0.0014","90","","93.268","0.001","90","","5728.9","0.5","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31.75 H29.5 Cl1.5 N2 Ni O2 -","- C31.75 H28 Cl1.5 N2 Ni O2 -","- C254 H224 Cl12 N16 Ni8 O16 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049471a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062693","12.0319","0.0012","12.7843","0.0013","14.4967","0.0015","90","","105.921","0.003","90","","2144.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 Ni O -","- C26 H24 N2 Ni O -","- C104 H96 N8 Ni4 O4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049471a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178522","2020-10-21","18:00:00",""
"4062694","19.8738","0.0019","19.5297","0.0019","20.4146","0.0018","90","","92.943","0.002","90","","7913.1","1.3","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C86 H96 Cl4 Fe2 N2 O2 P2 Pd2 -","- C86 H96 Cl4 Fe2 N2 O2 P2 Pd2 -","- C344 H384 Cl16 Fe8 N8 O8 P8 Pd8 -","4","0.5","","Weng, Zhiqiang; Teo, Shihui; Koh, Lip Lin; Hor, T. S. Andy","Efficient Suzuki-coupling of aryl chlorides catalyzed by Palladium(0) with P,N-heteroligand and isolation of unsaturated intermediates","Organometallics","2004","","","","","10.1021/om0494770","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178522","2020-10-21","18:00:00",""
"4062695","8.304","0.005","11.806","0.007","12.26","0.007","107.168","0.011","93.342","0.012","91.761","0.012","1145","1.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Fe2 N2 P2 Pd -","- C50 H64 Fe2 N2 P2 Pd -","- C50 H64 Fe2 N2 P2 Pd -","1","0.5","","Weng, Zhiqiang; Teo, Shihui; Koh, Lip Lin; Hor, T. S. Andy","Efficient Suzuki-coupling of aryl chlorides catalyzed by Palladium(0) with P,N-heteroligand and isolation of unsaturated intermediates","Organometallics","2004","","","","","10.1021/om0494770","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062696","16.6","0.002","11.3938","0.0016","18.179","0.003","90","","102.386","0.003","90","","3358.3","0.8","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36.5 Cl F5 Fe I N P Pd -","- C33 H36.5 Cl F5 Fe I N P Pd -","- C132 H146 Cl4 F20 Fe4 I4 N4 P4 Pd4 -","4","1","","Weng, Zhiqiang; Teo, Shihui; Koh, Lip Lin; Hor, T. S. Andy","Efficient Suzuki-coupling of aryl chlorides catalyzed by Palladium(0) with P,N-heteroligand and isolation of unsaturated intermediates","Organometallics","2004","","","","","10.1021/om0494770","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062697","14.351","0.003","17.219","0.004","22.515","0.005","90","","98.507","0.003","90","","5503","2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 Co F6 N6 O8 S2 -","- C50 H62 Co F6 N6 O8 S2 -","- C200 H248 Co4 F24 N24 O32 S8 -","4","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, William B.; Ellwood, Simon","","Organometallics","2004","","","","","10.1021/om049489l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178522","2020-10-21","18:00:00",""
"4062698","20.26","0.0007","20.26","0.0007","16.5838","0.0007","90","","90","","90","","6807.1","0.4","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C35 H41 Br Co N5 -","- C35 H41 Br Co N5 -","- C280 H328 Br8 Co8 N40 -","8","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, William B.; Ellwood, Simon","","Organometallics","2004","","","","","10.1021/om049489l","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062699","8.5799","0.0006","11.7006","0.001","16.6014","0.0015","87.348","0.003","82.073","0.005","71.898","0.004","1569","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 Co N5 -","- C36 H44 Co N5 -","- C72 H88 Co2 N10 -","2","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, William B.; Ellwood, Simon","","Organometallics","2004","","","","","10.1021/om049489l","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062700","10.8474","0.0013","18.896","0.002","18.483","0.002","90","","95.138","0.002","90","","3773.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Br3 Co N5 O -","- C39 H49 Br3 Co N5 O -","- C156 H196 Br12 Co4 N20 O4 -","4","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, William B.; Ellwood, Simon","","Organometallics","2004","","","","","10.1021/om049489l","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062701","10.125","0.0003","11.942","0.0003","12.818","0.0006","90","","100.279","0.002","90","","1524.99","0.09","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Br N2 O Rh -","- C14 H21.83 Br N2 O Rh -","- C56 H87.32 Br4 N8 O4 Rh4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049495h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178523","2020-10-21","18:00:00",""
"4062702","11.8131","0.0011","11.8309","0.0011","12.6976","0.0012","90","","98.661","0.002","90","","1754.4","0.3","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 B F4 Mo O6 -","- C15 H13 B F4 Mo O6 -","- C60 H52 B4 F16 Mo4 O24 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049523w","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062703","7.6608","0.0004","24.8663","0.0013","9.9833","0.0006","90","","100.445","0.001","90","","1870.26","0.18","115","2","115","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 B Br F4 Mo O6 -","- C15 H12 B Br F4 Mo O6 -","- C60 H48 B4 Br4 F16 Mo4 O24 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049523w","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062704","10.442","0.0006","12.3557","0.0007","20.6549","0.0011","75.425","0.001","77.074","0.001","72.982","0.001","2433.5","0.2","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 B F4 Fe O5 -","- C14 H13 B F4 Fe O5 -","- C84 H78 B6 F24 Fe6 O30 -","6","3","","","","Organometallics","2004","","","","","10.1021/om049523w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062705","6.6123","0.0004","12.2114","0.0007","21.4058","0.0012","90","","90","","90","","1728.42","0.17","115","2","115","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 B Br F4 Fe O5 -","- C14 H12 B Br F4 Fe O5 -","- C56 H48 B4 Br4 F16 Fe4 O20 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049523w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062706","7.4781","0.0011","16.848","0.0015","12.3734","0.0019","90","","92.719","0.007","90","","1557.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl N2 O Si -","- C15 H17 Cl N2 O Si -","- C60 H68 Cl4 N8 O4 Si4 -","4","1","","Kalikhman, Inna; Boris, Gostevskii; Kingston, Vijeyakumar; Krivonos, Sonia; Stalke, Dietmar; Walfort, Bernhard; Kottke, Thomas; Kocher, Nikolaus; Kost, Daniel","Spin Coupling through the N→Si Dative Bond in Penta- and Hexacoordinate Hydrido- and Fluorosilicon Complexes; Coupling through a Rapidly Dissociating-Recombining N→Si Bond","Organometallics","2004","23","21","4828","4835","10.1021/om049530k","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062707","8.8906","0.0004","15.1374","0.0007","15.6639","0.0007","113.073","0.001","93.824","0.001","96.645","0.001","1911.86","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H31 Cl N4 O2 Si -","- C14 H31 Cl N4 O2 Si -","- C56 H124 Cl4 N16 O8 Si4 -","4","2","","Kalikhman, Inna; Boris, Gostevskii; Kingston, Vijeyakumar; Krivonos, Sonia; Stalke, Dietmar; Walfort, Bernhard; Kottke, Thomas; Kocher, Nikolaus; Kost, Daniel","Spin Coupling through the N→Si Dative Bond in Penta- and Hexacoordinate Hydrido- and Fluorosilicon Complexes; Coupling through a Rapidly Dissociating-Recombining N→Si Bond","Organometallics","2004","23","21","4828","4835","10.1021/om049530k","","","","","","","","","","","","","","","","","","","","","has coordinates","133773","2020-10-21","18:00:00",""
"4062708","8.932","0.0005","15.1189","0.0008","15.7812","0.0008","111.895","0.001","94.335","0.001","96.362","0.001","1949.37","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H31 Br N4 O2 Si -","- C14 H31 Br N4 O2 Si -","- C56 H124 Br4 N16 O8 Si4 -","4","2","","Kalikhman, Inna; Boris, Gostevskii; Kingston, Vijeyakumar; Krivonos, Sonia; Stalke, Dietmar; Walfort, Bernhard; Kottke, Thomas; Kocher, Nikolaus; Kost, Daniel","Spin Coupling through the N→Si Dative Bond in Penta- and Hexacoordinate Hydrido- and Fluorosilicon Complexes; Coupling through a Rapidly Dissociating-Recombining N→Si Bond","Organometallics","2004","23","21","4828","4835","10.1021/om049530k","","","","","","","","","","","","","","","","","","","","","has coordinates","133773","2020-10-21","18:00:00",""
"4062709","12.5487","0.0002","23.4701","0.0004","30.4697","0.0006","90","","96.874","0.001","90","","8909.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H57 K2 O3 P3 Sn2 -","- C39 H57 K2 O3 P3 Sn2 -","- C312 H456 K16 O24 P24 Sn16 -","8","2","","","","Organometallics","2004","","","","","10.1021/om0495372","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178523","2020-10-21","18:00:00",""
"4062710","9.709","0.005","16.612","0.007","20.306","0.01","83.42","0.01","89.18","0.02","78.73","0.01","3190.8","2.4","93.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H102 B N Si7 -","- C55 H102 B N Si7 -","- C110 H204 B2 N2 Si14 -","2","1","","Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Insertion of an Overcrowded Silylene into Hydro- and Haloboranes: A Novel Synthesis of Silylborane Derivatives and Their Properties","Organometallics","2004","23","20","4723","4734","10.1021/om049558w","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062711","12.2961","0.0005","12.9373","0.0004","20.9079","0.0002","73.508","0.013","73.145","0.013","82.555","0.015","3048.12","0.16","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H88 B P Si7 -","- C54 H88 B P Si7 -","- C108 H176 B2 P2 Si14 -","2","1","","Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Insertion of an Overcrowded Silylene into Hydro- and Haloboranes: A Novel Synthesis of Silylborane Derivatives and Their Properties","Organometallics","2004","23","20","4723","4734","10.1021/om049558w","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062712","9.199","0.007","12.808","0.01","23.663","0.017","99.905","0.012","92.269","0.011","108.236","0.013","2595","3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H82 B Cl O2 Si7 -","- C42 H82 B Cl O2 Si7 -","- C84 H164 B2 Cl2 O4 Si14 -","2","1","","Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Insertion of an Overcrowded Silylene into Hydro- and Haloboranes: A Novel Synthesis of Silylborane Derivatives and Their Properties","Organometallics","2004","23","20","4723","4734","10.1021/om049558w","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062713","15.6168","0.0001","20.0336","0.0002","20.2833","0.0002","90","","90.012","0.001","90","","6345.85","0.1","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 B F15 Zr -","- C36 H20 B F15 Zr -","- C288 H160 B8 F120 Zr8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om0495628","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062714","20.42","0.004","11.201","0.002","23.645","0.005","90","","107.347","0.004","90","","5162.3","1.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H84 Ba2 N8 -","- C44 H84 Ba2 N8 -","- C176 H336 Ba8 N32 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049566c","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062715","16.5507","0.0016","18.1645","0.0015","20.1236","0.0018","90","","90","","90","","6049.9","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H50 Ca N4 -","- C26 H50 Ca N4 -","- C208 H400 Ca8 N32 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049566c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062716","49.24","0.005","9.1254","0.001","16.8294","0.0016","90","","95.801","0.003","90","","7523.3","1.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 Ca N4 -","- C22 H42 Ca N4 -","- C264 H504 Ca12 N48 -","12","1.5","","","","Organometallics","2004","","","","","10.1021/om049566c","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062717","10.4513","0.0013","11.8734","0.0014","24.455","0.003","90","","92.01","0.003","90","","3032.9","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 Ba N4 -","- C26 H50 Ba N4 -","- C104 H200 Ba4 N16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049566c","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062718","13.1947","0.0017","14.6043","0.0018","13.6798","0.0017","90","","90.237","0.003","90","","2636.1","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 N4 Sr -","- C22 H42 N4 Sr -","- C88 H168 N16 Sr4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049566c","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062719","10.4966","0.0013","11.7125","0.0014","24.465","0.003","90","","93.621","0.002","90","","3001.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 N4 Sr -","- C26 H50 N4 Sr -","- C104 H200 N16 Sr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049566c","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062720","12.318","0.0003","42.224","0.0015","11.187","0.0004","90","","112.691","0.0017","90","","5368.2","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 O4 Zn2 -","- C62 H76 O4 Zn2 -","- C248 H304 O16 Zn8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049568x","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062721","21.284","0.004","15.538","0.003","23.066","0.005","90","","114.31","0.03","90","","6952","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H109 Ga2 K N8 -","- C69 H104 Ga2 K N8 -","- C276 H416 Ga8 K4 N32 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049571g","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062722","13.074","0.003","43.191","0.009","13.836","0.003","90","","107.65","0.03","90","","7445","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72.5 H113 Ga2 K N8 -","- C72.5 H109 Ga2 K N8 -","- C290 H436 Ga8 K4 N32 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049571g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062723","18.6773","0.0011","10.1129","0.0007","21.2647","0.0012","90","","109.686","0.004","90","","3781.8","0.4","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 I N P2 Pd S -","- C43 H34 I N P2 Pd S -","- C172 H136 I4 N4 P8 Pd4 S4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049580p","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062724","19.4435","0.0012","17.2646","0.0012","23.0688","0.0012","90","","107.358","0.003","90","","7391.2","0.8","133","2","133","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H33 Cl3 F3 N5 O3 Pd S -","- C35 H33 Cl3 F3 N5 O3 Pd S -","- C280 H264 Cl24 F24 N40 O24 Pd8 S8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049580p","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062725","11.6858","0.0011","12.4756","0.0012","27.123","0.002","90","","99.538","0.003","90","","3899.5","0.6","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 I N5 O0.5 Pd -","- C43 H43 I N5 O0.5 Pd -","- C172 H172 I4 N20 O2 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049580p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062726","19.3279","0.0012","17.2145","0.0011","15.988","0.0011","90","","98.85","0.003","90","","5256.2","0.6","133","2","133","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C57 H51 F3 N4 O3 P2 Pd S -","- C57 H51 F3 N4 O3 P2 Pd S -","- C228 H204 F12 N16 O12 P8 Pd4 S4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049580p","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062727","6.2487","0.0006","23.83","0.002","11.5383","0.0011","90","","93.92","0.003","90","","1714.1","0.3","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049580p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062728","12.7148","0.0016","14.3523","0.0018","17.725","0.003","105.899","0.003","98.506","0.003","92.791","0.003","3063.1","0.8","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H22 N2 -","- C28 H22 N2 -","- C168 H132 N12 -","6","3","","","","Organometallics","2004","","","","","10.1021/om049580p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062729","14.045","0.003","17.604","0.004","30.08","0.006","90","","92.18","0.03","90","","7432","3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 O Zr2 -","- C44 H60 O Zr2 -","- C352 H480 O8 Zr16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049589r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178523","2020-10-21","18:00:00",""
"4062730","10.955","0.002","13.275","0.003","17.147","0.003","90","","90","","90","","2493.6","0.8","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Al F N Zr -","- C25 H35 Al F N Zr -","- C100 H140 Al4 F4 N4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049589r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062731","11.008","0.002","13.164","0.003","17.199","0.003","90","","90","","90","","2492.3","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Al N Zr -","- C25 H36 Al N Zr -","- C100 H144 Al4 N4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049589r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062732","15.9615","0.0009","11.1136","0.0009","19.4852","0.0012","90","","112.7","0.004","90","","3188.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 F3 N2 P Rh -","- C37 H33 F3 N2 P Rh -","- C148 H132 F12 N8 P4 Rh4 -","4","1","","","Synthesis of the first Family of Rhodium(I) Perfluoroalkyl Complexes from Rhodium(I) Fluoro Complexes","Organometallics","2004","","","","","10.1021/om049592a","","","","","","","0.0361","","","0.0825","","","","","","","","","","","has coordinates,has disorder","178523","2020-10-21","18:00:00",""
"4062733","17.819","0.0008","9.5009","0.0005","21.6317","0.001","90","","103.809","0.001","90","","3556.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 Cl2 F3 N2 O2 P Rh -","- C38 H35 Cl2 F3 N2 O2 P Rh -","- C152 H140 Cl8 F12 N8 O8 P4 Rh4 -","4","1","","","Synthesis of the first Family of Rhodium(I) Perfluoroalkyl Complexes from Rhodium(I) Fluoro Complexes","Organometallics","2004","","","","","10.1021/om049592a","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062734","11.4854","0.0006","12.192","0.0005","15.3971","0.0006","107.118","0.003","93.46","0.004","101.193","0.004","2005.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 F3 N3 P Rh -","- C46 H42 F3 N3 P Rh -","- C92 H84 F6 N6 P2 Rh2 -","2","1","","","Synthesis of the first Family of Rhodium(I) Perfluoroalkyl Complexes from Rhodium(I) Fluoro Complexes","Organometallics","2004","","","","","10.1021/om049592a","","","","","","","0.0283","","","0.0783","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062735","16.906","0.003","19.819","0.003","21.176","0.003","90","","90","","90","","7095","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H120 Mg2 N7 O9 P -","- C64 H120 Mg2 N7 O9 P -","- C256 H480 Mg8 N28 O36 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049594v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062736","16.457","0.015","12.489","0.012","23.967","0.023","90","","104.42","0.02","90","","4770.7","7.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H35 B F15 Ni O2 P -","- C51.5 H30 B F15 Ni O2 P -","- C206 H120 B4 F60 Ni4 O8 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049600n","","","","","","","0.0752","","","0.1578","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062737","17.588","0.006","17.659","0.008","15.05","0.006","90","","90","","90","","4674","2","293.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H32 Fe4 -","- C27.9 Fe4 -","- C223.2 Fe32 -","8","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049606c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062738","9.855","0.005","15.776","0.006","17.715","0.005","90","","92.44","0.03","90","","2751","1","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 F6 Fe4 O3 P -","- C28 H28 F6 Fe4 O3 P -","- C112 H112 F24 Fe16 O12 P4 -","4","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049606c","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062739","14.903","0.008","10.168","0.002","20.654","0.01","89","","89","","90","","3129","4","293.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H30 F12 Fe4 O2 P2 -","- C28 F12 Fe4 O2 P2 -","- C112 F48 Fe16 O8 P8 -","4","0.5","","Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino","Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction","Journal of the American Chemical Society","2004","126","","4104","4105","10.1021/ja049720m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062740","10.908","0.005","18.272","0.006","13.996","0.004","90","","91.03","0.03","90","","2789","1","293.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 F6 Fe4 O P -","- C28 H29 F6 Fe4 O P -","- C112 H116 F24 Fe16 O4 P4 -","4","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049606c","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062741","19.4022","0.0007","19.4494","0.0009","15.0123","0.0007","90","","90","","90","","5665","0.4","150.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H44 B F24 Fe4 -","- C60 H44 B F24 Fe4 -","- C240 H176 B4 F96 Fe16 -","4","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049606c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062742","9.353","0.001","15.634","0.001","32.792","0.004","90","","98.174","0.008","90","","4746","0.8","150.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Fe8 O4 -","- C56 H60 Fe8 O4 -","- C224 H240 Fe32 O16 -","4","1","","Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino","Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction","Journal of the American Chemical Society","2004","126","","4104","4105","10.1021/ja049720m","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062743","11.262","0.001","13.876","0.001","9.054","0.001","90","","90","","90","","1414.9","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H16 Cl2 Zr -","- C14 H16 Cl2 Zr -","- C56 H64 Cl8 Zr4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049610o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062744","17.574","0.0006","8.8569","0.0003","20.521","0.0006","90","","91.407","0.002","90","","3193.15","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 Zr -","- C16 H20 Cl2 Zr -","- C128 H160 Cl16 Zr8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049610o","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062745","16.668","0.003","11.628","0.002","8.163","0.002","90","","90","","90","","1582.2","0.6","133","2","133","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H21 I N2 O2 Pd -","- C13 H21 I N2 O2 Pd -","- C52 H84 I4 N8 O8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062746","10.6384","0.0008","11.5749","0.0008","28.797","0.002","90","","100.165","0.004","90","","3490.3","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 I N2 O6 Pd -","- C33 H41 I N2 O6 Pd -","- C132 H164 I4 N8 O24 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062747","10.8237","0.001","16.5736","0.0016","13.7012","0.0012","90","","106.618","0.003","90","","2355.2","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 I N2 O6 Pd -","- C24 H21 I N2 O6 Pd -","- C96 H84 I4 N8 O24 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062748","9.5008","0.0011","13.6806","0.0014","18.779","0.002","90","","102.305","0.004","90","","2384.7","0.4","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F3 N2 O4 Pd S -","- C25 H25 F3 N2 O4 Pd S -","- C100 H100 F12 N8 O16 Pd4 S4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062749","11.7088","0.0011","12.1654","0.0012","23.021","0.002","90","","90","","90","","3279.1","0.5","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H41 F3 N2 O4 Pd S -","- C33 H41 F3 N2 O4 Pd S -","- C132 H164 F12 N8 O16 Pd4 S4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062750","10.385","0.0012","11.3773","0.0012","12.8852","0.0014","81.083","0.004","74.117","0.004","78.518","0.004","1426.8","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 F3 N3 O4 Pd S -","- C29 H30 F3 N3 O4 Pd S -","- C58 H60 F6 N6 O8 Pd2 S2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062751","31.0575","0.0014","31.0575","0.0014","18.4842","0.0012","90","","90","","90","","17829.3","1.6","133","2","133","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C45 H50 F3 N3 O5 Pd S -","- C45 H50 F3 N3 O5 Pd S -","- C720 H800 F48 N48 O80 Pd16 S16 -","16","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062752","9.7242","0.0006","11.709","0.0006","19.0607","0.0012","99.618","0.004","100.527","0.004","108.472","0.004","1964","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H39 F3 N4 O3 Pd S -","- C42 H39 F3 N4 O3 Pd S -","- C84 H78 F6 N8 O6 Pd2 S2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062753","10.992","0.005","17.793","0.006","14.32","0.004","90","","101.13","0.03","90","","2747","1","198.2","","198.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl F6 O2 P2 Ru -","- C26 H29 Cl F6 O2 P2 Ru -","- C104 H116 Cl4 F24 O8 P8 Ru4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049616d","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062754","23.748","0.005","18.632","0.005","22.798","0.005","90","0.005","104.338","0.005","90","0.005","9774","4","203","2","203","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 B16 Cl2 Nd4 O5 Si8 -","- C48 H120 B16 Cl2 Nd4 O5 Si8 -","- C192 H480 B64 Cl8 Nd16 O20 Si32 -","4","0.5","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Li, Ang; Hosmane, Narayan S.; Maguire, John A.; Roesky, Herbert W.; Cummins, Christopher C.; Kaim, Wolfgang","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 30. Synthetic and Structural Studies on Oxide Ion Encapsulating Tetralanthanide Tetrahedra Surrounded by ""Carbons Apart"" C2B4-Carborane Ligands (Ln(III) = La, Nd, Gd, Tb, Ho, Lu)","Organometallics","2004","23","20","4621","4629","10.1021/om0496176","","","","","","","","","","","","","","","","","","","","","has coordinates","218792","2020-10-21","18:00:00",""
"4062755","23.577","0.005","18.513","0.005","22.602","0.005","90","0.005","104.092","0.005","90","0.005","9568","4","203","2","203","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 B16 Cl2 O5 Si8 Tb4 -","- C48 H120 B16 Cl2 O5 Si8 Tb4 -","- C192 H480 B64 Cl8 O20 Si32 Tb16 -","4","0.5","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Li, Ang; Hosmane, Narayan S.; Maguire, John A.; Roesky, Herbert W.; Cummins, Christopher C.; Kaim, Wolfgang","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 30. Synthetic and Structural Studies on Oxide Ion Encapsulating Tetralanthanide Tetrahedra Surrounded by ""Carbons Apart"" C2B4-Carborane Ligands (Ln(III) = La, Nd, Gd, Tb, Ho, Lu)","Organometallics","2004","23","20","4621","4629","10.1021/om0496176","","","","","","","","","","","","","","","","","","","","","has coordinates","218792","2020-10-21","18:00:00",""
"4062756","28.403","0.005","12.835","0.002","27.879","0.005","90","","117.82","0.003","90","","8989","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H136 B16 Cl2 Ho4 O7 Si8 -","- C56 H136 B16 Cl2 Ho4 O7 Si8 -","- C224 H544 B64 Cl8 Ho16 O28 Si32 -","4","0.5","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Li, Ang; Hosmane, Narayan S.; Maguire, John A.; Roesky, Herbert W.; Cummins, Christopher C.; Kaim, Wolfgang","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 30. Synthetic and Structural Studies on Oxide Ion Encapsulating Tetralanthanide Tetrahedra Surrounded by ""Carbons Apart"" C2B4-Carborane Ligands (Ln(III) = La, Nd, Gd, Tb, Ho, Lu)","Organometallics","2004","23","20","4621","4629","10.1021/om0496176","","","","","","","","","","","","","","","","","","","","","has coordinates","218792","2020-10-21","18:00:00",""
"4062757","23.544","0.005","18.44","0.005","22.48","0.005","90","0.005","104.153","0.005","90","0.005","9464","4","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 B16 Cl2 Lu4 O5 Si8 -","- C48 H120 B16 Cl2 Lu4 O5 Si8 -","- C192 H480 B64 Cl8 Lu16 O20 Si32 -","4","0.5","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Li, Ang; Hosmane, Narayan S.; Maguire, John A.; Roesky, Herbert W.; Cummins, Christopher C.; Kaim, Wolfgang","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 30. Synthetic and Structural Studies on Oxide Ion Encapsulating Tetralanthanide Tetrahedra Surrounded by ""Carbons Apart"" C2B4-Carborane Ligands (Ln(III) = La, Nd, Gd, Tb, Ho, Lu)","Organometallics","2004","23","20","4621","4629","10.1021/om0496176","","","","","","","","","","","","","","","","","","","","","has coordinates","218792","2020-10-21","18:00:00",""
"4062758","13.826","0.0004","6.922","0.0003","11.639","0.0005","90","","107.307","0.0016","90","","1063.46","0.07","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 B Br2 N O2 -","- C6 H14 B Br2 N O2 -","- C24 H56 B4 Br8 N4 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049618y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062759","6.831","0.0002","9.634","0.0003","10.705","0.0005","105.138","0.0012","98.887","0.0014","98.772","0.003","658","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 B Br2 N O2 -","- C8 H18 B Br2 N O2 -","- C16 H36 B2 Br4 N2 O4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049618y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062760","16.386","0.0002","6.964","0.0001","11.772","0.0004","90","","110.533","0.0007","90","","1257.99","0.05","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 B Br2 N O2 -","- C8 H18 B Br2 N O2 -","- C32 H72 B4 Br8 N4 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049618y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062761","14.5951","0.0001","11.4836","0.0001","15.8397","0.0001","90","","91.5006","0.0003","90","","2653.89","0.03","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 Br Cl N2 O2.5 Rh -","- C24 H39 Br Cl N2 O2.5 Rh -","- C96 H156 Br4 Cl4 N8 O10 Rh4 -","4","1","","Hoogervorst, Wilhelmus J.; Goubitz, Kees; Fraanje, Jan; Lutz, Martin; Spek, Anthony L.; Ernsting, Jan Meine; Elsevier, Cornelis J.","Bis(imino)arylrhodium(III) Halide and Methyl Compounds","Organometallics","2004","","","","","10.1021/om049619q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062762","17.9937","0.0002","11.8451","0.0002","8.8178","0.0001","90","","119.274","0.0007","90","","1639.39","0.04","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 Br2 N2 O Rh -","- C14 H21 Br2 N2 O Rh -","- C56 H84 Br8 N8 O4 Rh4 -","4","0.5","","Hoogervorst, Wilhelmus J.; Goubitz, Kees; Fraanje, Jan; Lutz, Martin; Spek, Anthony L.; Ernsting, Jan Meine; Elsevier, Cornelis J.","Bis(imino)arylrhodium(III) Halide and Methyl Compounds","Organometallics","2004","","","","","10.1021/om049619q","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062763","23.0455","0.0001","13.4782","0.0001","28.5576","0.0002","90","","121.824","0.0004","90","","7536.91","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Br2 N2 P Rh -","- C32 H34 Br2 N2 P Rh -","- C256 H272 Br16 N16 P8 Rh8 -","8","2","","Hoogervorst, Wilhelmus J.; Goubitz, Kees; Fraanje, Jan; Lutz, Martin; Spek, Anthony L.; Ernsting, Jan Meine; Elsevier, Cornelis J.","Bis(imino)arylrhodium(III) Halide and Methyl Compounds","Organometallics","2004","","","","","10.1021/om049619q","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062764","9.8568","0.0008","15.241","0.001","25.541","0.004","90","","90","","90","","3837","0.7","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Br N2 Rh -","- C17 H26 Br N2 Rh -","- C136 H208 Br8 N16 Rh8 -","8","2","","Hoogervorst, Wilhelmus J.; Goubitz, Kees; Fraanje, Jan; Lutz, Martin; Spek, Anthony L.; Ernsting, Jan Meine; Elsevier, Cornelis J.","Bis(imino)arylrhodium(III) Halide and Methyl Compounds","Organometallics","2004","","","","","10.1021/om049619q","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062765","17.456","0.004","13.216","0.003","12.616","0.003","90","","104.71","0.03","90","","2815.1","1","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H15 Cl N2 Pt -","- C14 H15 Cl N2 Pt -","- C112 H120 Cl8 N16 Pt8 -","8","4","","","","Organometallics","2004","","","","","10.1021/om0496232","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062766","21.336","0.004","21.469","0.004","14.219","0.003","90","","90","","90","","6513","2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H17.5 Cl1.5 N2 Pd -","- C16 H17.5 Cl1.5 N2 Pd -","- C256 H280 Cl24 N32 Pd16 -","16","4","","","","Organometallics","2004","","","","","10.1021/om0496232","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062767","23.154","0.005","14.737","0.003","27.657","0.006","90","","114.75","0.03","90","","8570","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H109 Cl K9 N4 O8 Pt2 -","- C69 H56 Cl K9 N4 O8 Pt2 -","- C276 H224 Cl4 K36 N16 O32 Pt8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496232","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062768","13.1839","0.0012","17.2921","0.0014","18.2913","0.0016","99.841","0.003","105.47","0.003","109.98","0.003","3615.5","0.5","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H36 Au2 F30 N P3 -","- C78 H36 Au2 F30 N P3 -","- C156 H72 Au4 F60 N2 P6 -","2","1","","","GOLD(III) PHENYLPHOSPHIDES AND -PHOSPHODIIDES","Organometallics","2004","","","","","10.1021/om049624u","","","","","","","","","","","","","","","","","","","","","has coordinates","201214","2020-10-21","18:00:00",""
"4062769","23.9558","0.0018","20.5905","0.0016","26.249","0.002","90","","110.268","0.003","90","","12145.9","1.6","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H36 Au3 Cl3 F15 P3 -","- C61 H36 Au3 Cl3 F15 P3 -","- C488 H288 Au24 Cl24 F120 P24 -","8","1","","","GOLD(III) PHENYLPHOSPHIDES AND -PHOSPHODIIDES","Organometallics","2004","","","","","10.1021/om049624u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178523","2020-10-21","18:00:00",""
"4062770","14.3742","0.0002","21.4249","0.0003","19.2234","0.0003","90","","102.683","0.0005","90","","5775.7","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54.25 H18.25 Au3 Cl0.75 F30 P3 -","- C54.25 H18.25 Au3 Cl0.76 F30 P3 -","- C217 H73 Au12 Cl3.04 F120 P12 -","4","1","","","GOLD(III) PHENYLPHOSPHIDES AND -PHOSPHODIIDES","Organometallics","2004","","","","","10.1021/om049624u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178523","2020-10-21","18:00:00",""
"4062771","14.406","0.005","14.792","0.006","16.554","0.006","97.65","0.04","104.64","0.04","112.72","0.04","3041","1.9","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H73 Ge P4 W -","- C71 H73 Ge P4 W -","- C142 H146 Ge2 P8 W2 -","2","1","","Filippou, Alexander C.; Philippopoulos, Athanassios I.; Portius, Peter; Schnakenburg, Gregor","","Organometallics","2004","","","","","10.1021/om049625m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4062772","13.358","0.004","17.61","0.004","25.16","0.008","90","","95.18","0.03","90","","5894","3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H71 Ge N O2 P4 W -","- C67 H71 Ge N O2 P4 W -","- C268 H284 Ge4 N4 O8 P16 W4 -","4","1","","Filippou, Alexander C.; Philippopoulos, Athanassios I.; Portius, Peter; Schnakenburg, Gregor","","Organometallics","2004","","","","","10.1021/om049625m","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062773","24.601","0.004","13.466","0.003","34.549","0.005","90","","97.563","0.018","90","","11346","3","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66.5 H67 Ge N P4 W -","- C66.5 H67 Ge N P4 W -","- C532 H536 Ge8 N8 P32 W8 -","8","1","","Filippou, Alexander C.; Philippopoulos, Athanassios I.; Portius, Peter; Schnakenburg, Gregor","","Organometallics","2004","","","","","10.1021/om049625m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062774","11.655","0.004","17.604","0.006","20.121","0.006","104.17","0.04","97.74","0.03","90.75","0.03","3962","2","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H66 B F20 Ge N P4 W -","- C88 H66 B F20 Ge N P4 W -","- C176 H132 B2 F40 Ge2 N2 P8 W2 -","2","1","","Filippou, Alexander C.; Philippopoulos, Athanassios I.; Portius, Peter; Schnakenburg, Gregor","","Organometallics","2004","","","","","10.1021/om049625m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062775","14.287","0.007","15.103","0.007","15.133","0.008","63.359","0.011","86.494","0.013","83.524","0.014","2900","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H78 B18 Cl Na O4 Zr -","- C48 H78 B18 Cl Na O4 Zr -","- C96 H156 B36 Cl2 Na2 O8 Zr2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049629r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062776","11.5719","0.0008","13.5746","0.0009","19.7788","0.0013","87.143","0.001","85.83","0.001","86.252","0.001","3088.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H86 B18 Cl Li O5 Zr -","- C52 H86 B18 Cl Li O5 Zr -","- C104 H172 B36 Cl2 Li2 O10 Zr2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049629r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062777","10.616","0.0017","10.9684","0.0018","28.299","0.005","90","","100.481","0.004","90","","3240.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 B9 O -","- C33 H39 B9 O -","- C132 H156 B36 O4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049629r","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062778","10.249","0.0011","11.3742","0.0013","17.818","0.002","85.43","0.002","88.3","0.002","65.134","0.002","1878.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H56 B9 Cl2 N3 Ti -","- C29 H56 B9 Cl2 N3 Ti -","- C58 H112 B18 Cl4 N6 Ti2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049629r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062779","10.4662","0.0005","23.4546","0.0012","13.7109","0.0007","90","","112.44","","90","","3110.9","0.3","194","2","194","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 Cu N2 O -","- C31 H45 Cu N2 O -","- C124 H180 Cu4 N8 O4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496380","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062780","10.6912","0.0013","25.051","0.003","39.516","0.005","94.099","0.002","91.754","0.003","90.797","0.003","10550","2","194","2","194","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H72 Cu2 N4 -","- C54 H72 Cu2 N4 -","- C432 H576 Cu16 N32 -","8","4","","","","Organometallics","2004","","","","","10.1021/om0496380","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062781","10.6579","0.0011","12.5522","0.0012","12.953","0.0013","92.124","0.002","103.08","0.002","106.695","0.002","1607","0.3","194","2","194","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H47 Cu N2 -","- C33 H47 Cu N2 -","- C66 H94 Cu2 N4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0496380","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062782","35.658","0.0013","12.4853","0.0004","18.009","0.0006","90","","116.482","0.001","90","","7176.4","0.4","90","1","90","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Te-Porphyrin","","","- C46 H33 N3 O2 Te -","- C46 H33 N3 O2 Te -","- C368 H264 N24 O16 Te8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049640r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178523","2020-10-21","18:00:00",""
"4062783","18.8613","0.0008","10.7521","0.0005","21.3737","0.0009","90","","93.159","0.001","90","","4328","0.3","90","1","90","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TeCl2-Porphyrin x 0.25EtOH x 0.4CHCl3","","","- C46.9 H34.65 Cl3.2 N3 O2.25 Te -","- C46.9 H34.65 Cl3.2 N3 O2.25 Te -","- C187.6 H138.6 Cl12.8 N12 O9 Te4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049640r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062784","27.496","0.011","11.788","0.005","11.791","0.005","90","","107.335","0.008","90","","3648","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cr2 O6 Se -","- C18 H12 Cr2 O6 Se -","- C144 H96 Cr16 O48 Se8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049645o","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062785","9.9594","0.001","10.1567","0.001","18.8676","0.0018","87.811","0.002","82.016","0.002","67.298","0.001","1743.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H39 Cl O P2 Ru -","- C42 H39 Cl O P2 Ru -","- C84 H78 Cl2 O2 P4 Ru2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049646g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062786","10.6525","0.0012","11.3108","0.0011","15.691","0.003","65.579","0.012","80.31","0.012","84.953","0.009","1696.5","0.4","294","","294","","","","","","","","","10","P -1","-P 1","2","","","","- C26 H37 Br2 Cl F3 N O3 P2 Pd S -","- C26 H37 Br2 Cl F3 N O3 P2 Pd S -","- C52 H74 Br4 Cl2 F6 N2 O6 P4 Pd2 S2 -","2","1","","Fan, L.; Yang, L.; Foxman, B. M.; Ozerov, O. V.","N-C Cleavage in Pincer PNP Complexes of Palladium","Organometallics","2004","23","20","4778","4787","10.1021/om049651k","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4062787","10.3531","0.0006","15.7202","0.0014","17.6461","0.0015","90","","90","","90","","2872","0.4","294","","294","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 F2 N O2 P2 Pd -","- C26 H37 F2 N O2 P2 Pd -","- C104 H148 F8 N4 O8 P8 Pd4 -","4","1","","Fan, L.; Yang, L.; Foxman, B. M.; Ozerov, O. V.","N-C Cleavage in Pincer PNP Complexes of Palladium","Organometallics","2004","23","20","4778","4787","10.1021/om049651k","","","","","","","","","","","","","","","","","","","","","has coordinates","209076","2020-10-21","18:00:00",""
"4062788","11.3415","0.001","16.9947","0.0014","15.1263","0.0013","90","0.002","100.175","0.002","90","0.002","2869.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Pd(MeO-MOP)]2(BF4)2","","","- C66 H50 B2 F8 O2 P2 Pd2 -","- C66 H50 B2 F8 O2 P2 Pd2 -","- C132 H100 B4 F16 O4 P4 Pd4 -","2","1","","Pascal Dotta; P.G. Anil Kumar; Paul S. Pregosin; Alberto Albinati; Silvia Rizzato","","Organometallics","2004","","","","","10.1021/om0496535","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062789","10.8225","0.0012","13.335","0.002","14.711","0.003","90","","93.947","0.012","90","","2118","0.6","208","2","208","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 F6 N3 P Rh -","- C20 H23 F6 N3 P Rh -","- C80 H92 F24 N12 P4 Rh4 -","4","1","","Hetterscheid, Dennis G.H.; Smits, Jan M. M.; de Bruin, Bas","Rhodium η^1^-Norbornenyl Copmplexes; Possibilities for Catalitic Oxidation of Norbornadiene to Norbornenone","Organometallics","2004","","","","","10.1021/om049654x","","","","","","","0.0265","","","0.0576","","","","","","","","","","","has coordinates,has disorder","178523","2020-10-21","18:00:00",""
"4062790","10.2395","0.0005","13.8332","0.0007","14.5277","0.0008","68.189","0.004","86.382","0.005","75.528","0.004","1848.84","0.17","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H44 B Cl N3 O Rh -","- C44 H44 B Cl N3 O Rh -","- C88 H88 B2 Cl2 N6 O2 Rh2 -","2","1","","Hetterscheid, Dennis G.H.; Smits, Jan M. M.; de Bruin, Bas","Rhodium η^1^-Norbornenyl Copmplexes; Possibilities for Catalitic Oxidation of Norbornadiene to Norbornenone","Organometallics","2004","","","","","10.1021/om049654x","","","","","","","0.0653","","","0.1577","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062791","13.173","0.003","22.34","0.006","16.478","0.004","90","","98.61","0.02","90","","4795","2","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Cl F6 N3 P Rh -","- C20 H23 Cl F6 N3 P Rh -","- C160 H184 Cl8 F48 N24 P8 Rh8 -","8","1","","Hetterscheid, Dennis G.H.; Smits, Jan M. M.; de Bruin, Bas","Rhodium η^1^-Norbornenyl Copmplexes; Possibilities for Catalitic Oxidation of Norbornadiene to Norbornenone","Organometallics","2004","","","","","10.1021/om049654x","","","","","","","0.0616","","","0.1371","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062792","11.128","0.0018","11.1646","0.0018","13.098","0.002","84.261","0.003","84.977","0.003","80.62","0.003","1593.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N P2 Rh -","- C38 H36 N P2 Rh -","- C76 H72 N2 P4 Rh2 -","2","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal–Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062793","20.443","0.004","13.454","0.003","20.069","0.004","90","","110.31","0.03","90","","5176.4","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H59 N2 O2 P2 Rh -","- C61 H51 N2 O2 P2 Rh -","- C244 H204 N8 O8 P8 Rh4 -","4","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219031","2020-10-21","18:00:00",""
"4062794","12.122","0.002","19.864","0.004","22.607","0.005","90","","90.85","0.03","90","","5443","1.9","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 N O3.5 P3 Rh -","- C59.43 H72.41 N O4 P3 Rh -","- C237.72 H289.64 N4 O16 P12 Rh4 -","4","1","","Krug, Christopher; Hartwig, John F.","Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions","Organometallics","2004","23","20","4594","4607","10.1021/om0496582","","","","","","","","","","","","","","","","","","","","","has coordinates","219033","2020-10-21","18:00:00",""
"4062795","14.72","0.003","29.946","0.006","18.379","0.004","90","","98.62","0.03","90","","8010","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 N O P2 Rh -","- C48 H44 N O P2 Rh -","- C384 H352 N8 O8 P16 Rh8 -","8","1","","Krug, Christopher; Hartwig, John F.","Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex","Journal of the American Chemical Society","2004","126","9","2694","2695","10.1021/ja038819a","","","","","","","","","","","","","","","","","","","","","has coordinates","219031","2020-10-21","18:00:00",""
"4062796","20.919","0.004","10.106","0.002","40.156","0.008","90","","97.01","0.03","90","","8426","3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C50 H53 O2 P2 Rh -","- C50 H53 O2 P2 Rh -","- C400 H424 O16 P16 Rh8 -","8","1","","Krug, Christopher; Hartwig, John F.","Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions","Organometallics","2004","23","20","4594","4607","10.1021/om0496582","","","","","","","","","","","","","","","","","","","","","has coordinates","219033","2020-10-21","18:00:00",""
"4062797","13.123","0.002","10.3739","0.0018","27.945","0.008","90","","101.182","0.012","90","","3732.2","1.4","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cl2 P2 Pd -","- C44 H36 Cl2 P2 Pd -","- C176 H144 Cl8 P8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049662d","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062798","12.9651","0.0018","10.3559","0.0015","28.028","0.005","90","","101.978","0.014","90","","3681.2","1","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cl2 Ni P2 -","- C44 H36 Cl2 Ni P2 -","- C176 H144 Cl8 Ni4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049662d","","","","","","","","","","","","","","","","","","","","","has coordinates","178523","2020-10-21","18:00:00",""
"4062799","14.379","0.003","15.2099","0.0019","16.078","0.002","88.431","0.012","82.665","0.015","82.108","0.017","3454.3","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C146 H96 B2 Cl2 F40 P4 Pd2 -","- C146 H72 B2 Cl2 F40 P4 Pd2 -","- C146 H72 B2 Cl2 F40 P4 Pd2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049662d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062800","16.795","0.004","14.989","0.004","13.306","0.004","90","","101.88","0.02","90","","3277.8","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H22 Al2 O3 -","- C13 H22 Al2 O3 -","- C104 H176 Al16 O24 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049664y","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4062801","11.861","0.005","15.411","0.005","18.36","0.003","90","","90","","90","","3356.1","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H36 B Cl F4 P2 Ru -","- C35 H36 B Cl F4 P2 Ru -","- C140 H144 B4 Cl4 F16 P8 Ru4 -","4","1","","Daguenet, Corinne; Scopelliti, Rosario; Dyson, Paul J.","Mechanistic investigations on the hydrogenation of alkenes using ruthenium(II)-arene diphosphine complexes","Organometallics","2004","","","","","10.1021/om049665q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062802","12.4176","0.0006","15.2102","0.0007","17.3187","0.001","90","","90","","90","","3271","0.3","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 B Cl F4 P2 Ru -","- C36 H38 B Cl F4 P2 Ru -","- C144 H152 B4 Cl4 F16 P8 Ru4 -","4","1","","Daguenet, Corinne; Scopelliti, Rosario; Dyson, Paul J.","Mechanistic investigations on the hydrogenation of alkenes using ruthenium(II)-arene diphosphine complexes","Organometallics","2004","","","","","10.1021/om049665q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062803","14.015","0.004","24.361","0.007","19.962","0.006","90","","99.493","0.007","90","","6722","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H33.5 O1.25 P2 Pd Ru -","- C97 H31 O1.25 P2 Pd Ru -","- C388 H124 O5 P8 Pd4 Ru4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049667a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062804","13.974","0.009","24.285","0.016","19.922","0.014","90","","99.279","0.012","90","","6672","8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H34.5 O1.75 P2 Pt Ru -","- C97 H28 O1.75 P2 Pt Ru -","- C388 H112 O7 P8 Pt4 Ru4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049667a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062805","12.134","0.003","10.738","0.003","24.877","0.007","90","","103.488","0.006","90","","3151.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Co F6 O2 P3 -","- C34 H28 Co F6 O2 P3 -","- C136 H112 Co4 F24 O8 P12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049667a","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062806","17.8954","0.0012","12.4133","0.0008","20.4354","0.0014","90","","101.376","0.003","90","","4450.4","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 Br O P2 Pd S -","- C52 H49 Br O P2 Pd S -","- C208 H196 Br4 O4 P8 Pd4 S4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496683","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062807","39.23","0.005","9.6657","0.0013","17.041","0.003","90","","103.126","0.013","90","","6292.8","1.6","294","","294","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Li N O P2 -","- C30 H48 Li N O P2 -","- C240 H384 Li8 N8 O8 P16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049670u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062808","23.825","0.0019","14.1571","0.0009","18.2978","0.0013","90","","90","","90","","6171.7","0.8","294","","294","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H49 N P2 Zr -","- C29 H49 N P2 Zr -","- C232 H392 N8 P16 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049670u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062809","13.62","0.004","21.2001","0.0015","22.096","0.006","90","","101.74","0.02","90","","6246","3","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71.5 H63 Cl4 O3 P2 Rh Ru -","- C71.5 H63 Cl4 O3 P2 Rh Ru -","- C286 H252 Cl16 O12 P8 Rh4 Ru4 -","4","1","","Gauthier, Sébastien; Scopelliti, Rosario; Severin, Kay","A Heterobimetallic Rh(I)-Ru(II) Catalyst for the Oppenauer-Type Oxidation of Primary and Secondary Alcohols Under Mild Conditions","Organometallics","2004","","","","","10.1021/om049671m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062810","14.113","0.004","15.617","0.004","29.042","0.007","90","","95.474","0.005","90","","6372","3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl2 Cr2 F10 -","- C32 H30 Cl2 Cr2 F10 -","- C256 H240 Cl16 Cr16 F80 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049675r","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062811","9.6564","0.0018","11.053","0.002","14.406","0.003","90","","98.197","0.003","90","","1521.9","0.5","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cr2 F10 -","- C17 H18 Cr F5 -","- C68 H72 Cr4 F20 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049675r","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062812","11.229","0.004","13.255","0.005","16.119","0.006","105.477","0.007","109.348","0.007","102.192","0.007","2059.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cr F5 N -","- C22 H23 Cr F5 N -","- C88 H92 Cr4 F20 N4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049675r","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062813","9.319","0.0002","11.755","0.0002","12.927","0.0003","94.231","0.001","100.536","0.001","99.186","0.001","1366.6","0.05","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Cl2 P Ru -","- C31 H31 Cl2 P Ru -","- C62 H62 Cl4 P2 Ru2 -","2","1","","Jesœs R. Berenguer; Mar’a Bernechea; Juan ForniŽs; Ana Garc’a; Elena Lalinde","(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.","Organometallics","2004","","","","","10.1021/om049676j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062814","15.5177","0.0002","16.831","0.0003","17.4242","0.0003","90","","90","","90","","4550.82","0.13","223","1","223","1","","","","","","","","8","P c 21 n","P -2n -2ac","33","","","","- C47 H52 Cl F3 O3 P2 Ru S -","- C47 H52 Cl F3 O3 P2 Ru S -","- C188 H208 Cl4 F12 O12 P8 Ru4 S4 -","4","1","","Jesœs R. Berenguer; Mar’a Bernechea; Juan ForniŽs; Ana Garc’a; Elena Lalinde","(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.","Organometallics","2004","","","","","10.1021/om049676j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062815","12.912","0.0002","14.19","0.0002","23.156","0.0005","90","","90","","90","","4242.67","0.13","173","1","173","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H39 Cl2 F10 O P Pt Ru -","- C43 H39 Cl2 F10 O P Pt Ru -","- C172 H156 Cl8 F40 O4 P4 Pt4 Ru4 -","4","1","","Jesœs R. Berenguer; Mar’a Bernechea; Juan ForniŽs; Ana Garc’a; Elena Lalinde","(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.","Organometallics","2004","","","","","10.1021/om049676j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062816","12.357","0.0001","14.345","0.0002","19.706","0.0003","90.242","0.001","91.863","0.001","103.872","0.001","3389.17","0.08","223","1","223","1","","","","","","","","9","P -1","-P 1","2","","","","- C67 H50 Cl7 F13 O3 P2 Pt Ru S -","- C67 H50 Cl7 F13 O3 P2 Pt Ru S -","- C134 H100 Cl14 F26 O6 P4 Pt2 Ru2 S2 -","2","1","","Berenguer, Jesús R.; Bernechea, María; Forniés, Juan; García, Ana; Lalinde, Elena","(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (μ-Cl)(μ-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.","Organometallics","2004","23","18","4288","4300","10.1021/om049676j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133621","2020-10-21","18:00:00",""
"4062817","13.932","0.006","14.868","0.007","15.725","0.007","102.822","0.006","101.906","0.005","101.894","0.007","2997","2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","anti,anti-diphenylpentasilane","","","- C26 H44 Si5 -","- C26 H44 Si5 -","- C104 H176 Si20 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049695t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062818","13.025","0.003","14.515","0.005","16.632","0.005","113","0.03","101.75","0.03","106.82","0.03","2585","2","301.2","","301.2","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H46 N4 O6 Re2 -","- C59 H46 N4 O6 Re2 -","- C118 H92 N8 O12 Re4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049696l","","","","","","","0.0338","","","0.0496","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062819","48.412","0.009","8.39","0.002","31.512","0.006","90","","102.52","0.03","90","","12495","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H77 Cl2 N2 O5 P4 Pd2 Re -","- C50 H71 Cl2 N2 O5 P4 Pd2 Re -","- C400 H568 Cl16 N16 O40 P32 Pd16 Re8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049696l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062820","22.5114","0.0018","21.7827","0.0016","17.4364","0.0014","90","","104.396","0.004","90","","8281.6","1.1","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C59 H60 Cl6 Hg N12 O46 Pt2 -","- C59 H60 Cl6 Hg N12 O46 Pt2 -","- C236 H240 Cl24 Hg4 N48 O184 Pt8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049699y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062821","14.3092","0.0014","17.0902","0.0016","14.4137","0.0014","90","","117.032","0.004","90","","3139.7","0.5","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H38.97 Cl5.03 F6 Hg N8 O32 Pt2 -","- C42 H38.968 Cl5.032 F6 Hg N8 O32 Pt2 -","- C84 H77.936 Cl10.064 F12 Hg2 N16 O64 Pt4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049699y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062822","13.3346","0.0011","21.8052","0.0018","18.3639","0.0014","90","","95.089","0.004","90","","5318.5","0.7","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Hg N4 O14 P2 Pt -","- C54 H48 Hg N4 O14 P2 Pt -","- C216 H192 Hg4 N16 O56 P8 Pt4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049699y","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062823","14.6416","0.0005","14.6416","0.0005","18.4819","0.0009","90","","90","","90","","3962.1","0.3","193","2","193","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C16 H32 N Ni P2 -","- C16 H32 N Ni P2 -","- C128 H256 N8 Ni8 P16 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049700t","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062824","14.3969","0.0005","14.3969","0.0005","19.0492","0.0009","90","","90","","90","","3948.3","0.3","193","2","193","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","Ni(dippe)(CN)2, 11","","","- C16 H32 N2 Ni P2 -","- C16 H32 N2 Ni P2 -","- C128 H256 N16 Ni8 P16 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049700t","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062825","8.9614","0.0006","21.0752","0.0013","19.6719","0.0012","90","","101.849","0.001","90","","3636.1","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(dippe)(MeCNBPh3), 12","","","- C34.5 H50 B N2 Ni P2 -","- C34.5 H50 B N2 Ni P2 -","- C138 H200 B4 N8 Ni4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049700t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062826","9.5633","0.0002","10.191","0.0002","15.0362","0.0004","104.234","0.0009","100.195","0.001","105.669","0.0011","1320.3","","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H41 N4 Si2 Ta -","- C20 H41 N4 Si2 Ta -","- C40 H82 N8 Si4 Ta2 -","2","1","","Ward, Benjamin D.; Orde, Gavin; Clot, Eric; Cowley, Andrew R.; Gade, Lutz H.; Mountford, Philip","Synthesis, Reactivity and Computational Studies of the Cationic Tungsten Methyl Complex [W(NPh)(N~2~N~py~)Me]^+^ and related compounds (N~2~N~py~ = MeC(2-C~5~H~4~N)(CH~2~NSiMe~3~)~2~)","Organometallics","2004","23","19","4444","4461","10.1021/om049701l","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4062827","13.1726","0.001","15.3578","0.0011","16.8018","0.0013","116.426","0.001","107.284","0.001","96.207","0.001","2789.2","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H48 Cl N6 O9 Ru2 -","- C47 H48 Cl N6 O9 Ru2 -","- C94 H96 Cl2 N12 O18 Ru4 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Postmetalation Ligand Modification on the Periphery of a Diruthenium Compound: Toward Novel Metallayne Scaffoldings","Organometallics","2004","23","16","3766","3768","10.1021/om049702d","","","0.71073","MoKα","","0.0969","0.0645","","","0.1892","0.2059","","","","","","1.021","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062828","15.3752","0.0019","17.5213","0.0017","18.281","0.003","80.346","0.015","82.948","0.014","66.348","0.009","4438.8","1","293","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H93 N8 O6 Ru2 Si3 -","- C79 H93 N8 O6 Ru2 Si3 -","- C158 H186 N16 O12 Ru4 Si6 -","2","1","","Chen, Wei-Zhong; Ren, Tong","Postmetalation Ligand Modification on the Periphery of a Diruthenium Compound: Toward Novel Metallayne Scaffoldings","Organometallics","2004","23","16","3766","3768","10.1021/om049702d","","","0.71073","MoKα","","0.1404","0.0665","","","0.1823","0.1955","","","","","","1.028","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062829","21.2595","0.0007","10.4058","0.0004","33.1698","0.0011","90","","107.811","0.001","90","","6986.2","0.4","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H73 I N8 O6 Ru2 Si2 -","- C68 H73 I N8 O6 Ru2 Si2 -","- C272 H292 I4 N32 O24 Ru8 Si8 -","4","1","","Chen, Wei-Zhong; Ren, Tong","Postmetalation Ligand Modification on the Periphery of a Diruthenium Compound: Toward Novel Metallayne Scaffoldings","Organometallics","2004","23","16","3766","3768","10.1021/om049702d","","","0.71073","MoKα","","0.1368","0.0532","","","0.0781","0.1035","","","","","","1.006","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062830","7.5678","0.0006","12.137","0.001","15.4192","0.0013","79.548","0.001","89.074","0.001","82.608","0.001","1381.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H51 N Os P2 -","- C25 H51 N Os P2 -","- C50 H102 N2 Os2 P4 -","2","1","","Barrio, M. P.; Esteruelas, M. A.; Oñate, E.","Activation of C(sp2)-H and Reduction of C=E (E = CH, N) Bonds with an Osmium-hexahydride Complex: Influence of E on the Behavior of RCH=E-py Substrates","Organometallics","2004","","","","","10.1021/om0497036","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062831","8.947","0.002","11.992","0.003","32.215","0.008","84.276","0.004","83.4","0.004","69.593","0.004","3211.2","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H57 B F4 N O0.5 Os P2 -","- C27 H57 B F4 N O0.5 Os P2 -","- C108 H228 B4 F16 N4 O2 Os4 P8 -","4","2","","Barrio, M. P.; Esteruelas, M. A.; Oñate, E.","Activation of C(sp2)-H and Reduction of C=E (E = CH, N) Bonds with an Osmium-hexahydride Complex: Influence of E on the Behavior of RCH=E-py Substrates","Organometallics","2004","","","","","10.1021/om0497036","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062832","7.7832","0.0007","38.317","0.003","18.7027","0.0017","90","","96.804","0.001","90","","5538.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 N2 Os P2 -","- C24 H41.5 N2 Os P2 -","- C192 H332 N16 Os8 P16 -","8","2","","Barrio, M. P.; Esteruelas, M. A.; Oñate, E.","Activation of C(sp2)-H and Reduction of C=E (E = CH, N) Bonds with an Osmium-hexahydride Complex: Influence of E on the Behavior of RCH=E-py Substrates","Organometallics","2004","","","","","10.1021/om0497036","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062833","11.483","0.015","15.91","0.02","16.02","0.02","90","","105.74","0.1","90","","2817","6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 Ru2 -","- C30 H36 N2 Ru2 -","- C120 H144 N8 Ru8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049704y","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062834","11.634","0.005","12.399","0.005","13.935","0.008","105.73","0.018","100.04","0.02","95.6","0.02","1882.8","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H42 Cl4 N2 O3 Ru2 -","- C35 H36 Cl4 N2 O3 Ru2 -","- C70 H72 Cl8 N4 O6 Ru4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049704y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062835","11.51","0.003","16.845","0.005","22.298","0.007","90","","105.3","0.02","90","","4170","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H59 N5 Ru2 -","- C42 H59 N5 Ru2 -","- C168 H236 N20 Ru8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049704y","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062836","9.463","0.002","14.051","0.003","14.259","0.003","88.73","0.03","72.43","0.03","70.69","0.03","1699.4","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H110 Al2 O4 Zr2 -","- C70 H110 Al2 O4 Zr2 -","- C70 H110 Al2 O4 Zr2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049705q","","","","","","","0.0471","","","0.1107","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062837","9.417","0.002","10.512","0.002","18.407","0.004","78.04","0.03","88.8","0.03","74.64","0.03","1717.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H59 Al Si Zr -","- C33 H59 Al Si Zr -","- C66 H118 Al2 Si2 Zr2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049705q","","","","","","","0.0486","","","0.0967","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062838","12.539","0.003","22.17","0.004","13.364","0.003","90","","111.8","0.03","90","","3449.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H51 Al Zr -","- C40 H51 Al Zr -","- C160 H204 Al4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049705q","","","","","","","0.0376","","","0.0912","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062839","12.185","0.002","12.395","0.002","16.555","0.003","74.42","0.03","79.57","0.03","69.31","0.03","2242.8","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H70 Al2 Zr -","- C48 H70 Al2 Zr -","- C96 H140 Al4 Zr2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049705q","","","","","","","0.0468","","","0.1089","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062840","7.0864","0.0007","11.0523","0.0011","17.5153","0.0018","85.952","0.008","83.493","0.008","73.518","0.008","1305.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 B2 Br4 Fe2 P2 -","- C22 H24 B2 Br4 Fe2 P2 -","- C44 H48 B4 Br8 Fe4 P4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049707a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062841","12.943","0.003","12.943","0.003","22.537","0.006","90","","90","","120","","3269.6","1.2","90","2","90","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C72 H75 Cl4.53 Ga2 Ge3 -","- C72 H75 Cl2.412 Ga2 Ge3 I0.588 -","- C144 H150 Cl4.824 Ga4 Ge6 I1.176 -","2","0.166667","","","","Organometallics","2004","","","","","10.1021/om0497137","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062842","13.0931","0.0013","13.0931","0.0013","22.405","0.003","90","","90","","120","","3326.4","0.7","90","2","90","2","","","","","","","","5","P 63/m","-P 6c","176","Jeff*3Sn3Ge2Cl3","","","- C72 H75 Cl3 Ge2 Sn3 -","- C72 H75 Cl3 Ge2 Sn3 -","- C144 H150 Cl6 Ge4 Sn6 -","2","0.166667","","","","Organometallics","2004","","","","","10.1021/om0497137","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062843","7.6587","0.0011","16.045","0.002","16.74","0.002","90","","97.726","0.003","90","","2038.5","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 B9 Ir -","- C18 H30 B9 Ir -","- C72 H120 B36 Ir4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049715r","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062844","12.498","0.003","21.564","0.004","23.683","0.005","90","","96.35","0.03","90","","6344","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 Cl4 N4 P4 Ru2 -","- C58 H98 Cl4 N4 P4 Ru2 -","- C232 H392 Cl16 N16 P16 Ru8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049716j","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062845","8.704","0.0003","10.632","0.0003","15.563","0.0005","105.908","0.0019","93.965","0.0017","98.136","0.002","1362.28","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H44 Cl N3 P2 Ru -","- C23 H44 Cl N3 P2 Ru -","- C46 H88 Cl2 N6 P4 Ru2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049716j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062846","14.785","0.003","12.146","0.002","16.231","0.003","90","","91.32","0.03","90","","2914","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N O3 P2 Ru -","- C26 H47 N O3 P2 Ru -","- C104 H188 N4 O12 P8 Ru4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049716j","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062847","23.837","0.002","9.963","0.0008","17.4955","0.0015","90","","96.821","0.002","90","","4125.5","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cd F20 N4 O2 Pt -","- C38 H32 Cd F20 N4 O2 Pt -","- C152 H128 Cd4 F80 N16 O8 Pt4 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062848","16.534","0.0001","19.222","0.0001","27.539","0.0002","90","","90","","90","","8752.35","0.09","173","1","173","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H42 Cd F10 N4 O2 Pt -","- C42 H42 Cd F10 N4 O2 Pt -","- C336 H336 Cd8 F80 N32 O16 Pt8 -","8","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062849","12.7984","0.0018","17.239","0.003","17.132","0.003","90","","90.239","0.003","90","","3779.8","1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H30 Cd Cl F10 N5 O4.5 Pt -","- C33.5 H29.5 Cd Cl F10 N5 O4.5 Pt -","- C134 H118 Cd4 Cl4 F40 N20 O18 Pt4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062850","9.7955","0.0014","12.1984","0.0018","12.6514","0.0018","79.633","0.003","81.82","0.003","74.375","0.003","1425","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H26 Cd Cl2 F10 N4 O Pt -","- C23 H26 Cd Cl2 F10 N4 O Pt -","- C46 H52 Cd2 Cl4 F20 N8 O2 Pt2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062851","12.5374","0.001","15.2365","0.0013","15.5517","0.0013","90","","90","","90","","2970.8","0.4","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H40 Cd2 Cl4 N8 O8 -","- C16 H40 Cd2 Cl4 N8 O8 -","- C64 H160 Cd8 Cl16 N32 O32 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062852","13.847","0.003","12.576","0.003","12.486","0.003","90","","106.4","0.03","90","","2085.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 O2 Se3 -","- C20 H20 N2 O2 Se3 -","- C80 H80 N8 O8 Se12 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062853","7.7682","0.0009","14.3617","0.001","18.5991","0.001","90","","97.288","0.007","90","","2058.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl N O Se -","- C10 H10 Cl N O Se -","- C80 H80 Cl8 N8 O8 Se8 -","8","2","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062854","7.8729","0.0004","14.4935","0.0007","18.779","0.0009","90","","97.461","0.001","90","","2124.65","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br2 N2 O2 Se2 -","- C20 H20 Br2 N2 O2 Se2 -","- C80 H80 Br8 N8 O8 Se8 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062855","7.8141","0.001","16.109","0.002","9.177","0.0012","90","","103.302","0.003","90","","1124.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 I0.5 N O Se0.5 -","- C10 H10 I N O Se -","- C40 H40 I4 N4 O4 Se4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062856","13.6779","0.0011","7.6783","0.0004","15.208","0.0011","90","","112.554","0.008","90","","1475.03","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O S Se -","- C16 H15 N O S Se -","- C64 H60 N4 O4 S4 Se4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062857","12.4922","0.0005","12.9919","0.001","9.5241","0.0005","90","","104.128","0.003","90","","1498.98","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O Se -","- C17 H15 N O Se -","- C68 H60 N4 O4 Se4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062858","8.2196","0.0007","4.8868","0.0004","16.9818","0.0014","90","","98.559","0.003","90","","674.52","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Se2 -","- C16 H16 Se2 -","- C32 H32 Se4 -","2","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4062859","10.0282","0.0007","21.2453","0.0015","15.197","0.0011","90","","90.171","0.002","90","","3237.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl8 O5 Pd -","- C30 H28 Cl8 O5 Pd -","- C120 H112 Cl32 O20 Pd4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062860","10.411","0.0005","12.2527","0.0006","18.42","0.0009","75.047","0.001","75.076","0.001","66.474","0.001","2049.53","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 Cl8 N3 O4 Pd -","- C41 H35 Cl8 N3 O4 Pd -","- C82 H70 Cl16 N6 O8 Pd2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062861","10.8809","0.0005","11.6299","0.0005","11.3255","0.0005","90","","115.867","0.001","90","","1289.58","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl2 O2 Pd2 -","- C5.6 H6 Cl0.4 O0.4 Pd0.4 -","- C56 H60 Cl4 O4 Pd4 -","10","2.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062862","11.52","0.0011","16.6745","0.0016","19.9685","0.0019","90","","102.447","0.002","90","","3745.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cl8 O5 Pd -","- C38 H28 Cl8 O5 Pd -","- C152 H112 Cl32 O20 Pd4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062863","12.1192","0.0012","12.182","0.0012","15.1276","0.0015","69.05","0.002","85.353","0.002","66.661","0.002","1910.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H25 Cl8 N O4 Pd -","- C39 H25 Cl8 N O4 Pd -","- C78 H50 Cl16 N2 O8 Pd2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062864","11.3473","0.0009","13.063","0.001","10.7464","0.0008","90","","102.81","0.002","90","","1553.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl4 O2 -","- C17 H10 Cl4 O2 -","- C68 H40 Cl16 O8 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062865","11.2973","0.0006","17.3784","0.0009","7.7297","0.0004","90","","90.047","0.001","90","","1517.56","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl4 O2 -","- C17 H10 Cl4 O2 -","- C68 H40 Cl16 O8 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062866","7.9424","0.0008","10.3011","0.001","10.8711","0.001","87.725","0.002","89.223","0.002","70.993","0.002","840.27","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 Cl5 O2 -","- C17 H11 Cl5 O2 -","- C34 H22 Cl10 O4 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062867","11.1551","0.0003","18.138","0.0006","13.9469","0.0005","90","","101.532","0.001","90","","2764.93","0.15","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 B N6 O2 P W -","- C26 H36 B N6 O2 P W -","- C104 H144 B4 N24 O8 P4 W4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049725s","","","","","","","0.029","","","0.031","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062868","18.2841","0.0004","18.5662","0.0004","16.1972","0.0004","90","","111.822","0.001","90","","5104.4","0.2","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 B2 N12 O4 P2 W2 -","- C42 H68 B2 N12 O4 P2 W2 -","- C168 H272 B8 N48 O16 P8 W8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049725s","","","","","","","0.034","","","0.036","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062869","12.0377","0.0002","13.2617","0.0002","16.3479","0.0003","90","","107.804","0.001","90","","2484.8","0.07","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 B N6 O2 P W -","- C21 H34 B N6 O2 P W -","- C84 H136 B4 N24 O8 P4 W4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049725s","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062870","45.976","0.002","9.8555","0.0005","19.913","0.001","90","","114.485","0.002","90","","8211.5","0.7","183.2","","183.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H40 O P2 Pd -","- C48.5 H40 O P2 Pd -","- C388 H320 O8 P16 Pd8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049726k","","","","","","","0.0471","","","0.0394","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"4062871","11.0878","0.0004","12.5179","0.0004","15.058","0.0004","105.593","0.002","94.045","0.002","105.99","0.002","1911.4","0.1","183.2","","183.2","","","","","","","","","5","P 1","P 1","1","","","","- C44 H46 O P2 Pd -","- C44 H46 O P2 Pd -","- C88 H92 O2 P4 Pd2 -","2","2","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062872","18.342","0.004","18.506","0.004","19.024","0.004","112.74","0.03","111.32","0.03","99.05","0.03","5203.7","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.67 H31 Cl1.33 D1.33 F3 P2 Pd -","- C38.5 H32 Cl F3 P2 Pd -","- C231 H192 Cl6 F18 P12 Pd6 -","6","3","","","","Organometallics","2004","","","","","10.1021/om049726k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062873","10.3128","0.0009","11.2919","0.001","12.7707","0.0011","104.588","0.001","99.912","0.001","97.674","0.001","1393.1","0.2","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H39 Cl2 N2 O P Pd -","- C26 H39 Cl2 N2 O P Pd -","- C52 H78 Cl4 N4 O2 P2 Pd2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049727c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062874","15.1511","0.0009","17.8042","0.0011","21.5514","0.0013","100.381","0.001","102.662","0.001","105.937","0.001","5272.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H59 N2 O P Pd -","- C51 H59 N2 O P Pd -","- C204 H236 N8 O4 P4 Pd4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049727c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062875","12.018","0.002","14.031","0.004","15.439","0.003","90","0.02","90","0.014","90","0.02","2603.4","1","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 Cl Fe P2 Pd -","- C24 H39 Cl Fe P2 Pd -","- C96 H156 Cl4 Fe4 P8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497285","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062876","17.229","0.0006","16.447","0.0005","21.3131","0.0007","90","","90","","90","","6039.4","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H47 Cl Fe P2 Pd -","- C28 H47 Cl Fe P2 Pd -","- C224 H376 Cl8 Fe8 P16 Pd8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0497285","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062877","10.9768","0.0011","18.6337","0.0019","15.6324","0.0016","90","","109.312","0.002","90","","3017.5","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 B Fe P2 Pd -","- C28 H51 B Fe P2 Pd -","- C112 H204 B4 Fe4 P8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497285","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062878","9.3721","0.0006","16.7911","0.001","11.9364","0.0007","90","","98.028","0.001","90","","1860","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl O3 Ru -","- C20 H27 Cl O3 Ru -","- C80 H108 Cl4 O12 Ru4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049732g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178524","2020-10-21","18:00:00",""
"4062879","16.559","0.002","7.331","0.0009","38.161","0.005","90","","90","","90","","4632.6","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl O Ru -","- C28 H29 Cl O Ru -","- C224 H232 Cl8 O8 Ru8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049732g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062880","9.487","0.001","10.136","0.002","13.331","0.003","90","","97.759","0.01","90","","1270","0.4","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H13 N Se -","- C14 H13 N Se -","- C56 H52 N4 Se4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497339","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062881","10.6","0.007","15.96","0.009","11.1","0.006","90","","107.93","0.008","90","","1786","1","296.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N O3 S Se -","- C16 H16 F3 N O3 S Se -","- C64 H64 F12 N4 O12 S4 Se4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497339","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062882","8.947","0.005","10.979","0.006","17.759","0.01","90","","98.24","0.007","90","","1726","1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 Se -","- C18 H24 N2 Se -","- C72 H96 N8 Se4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497339","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062883","15.686","0.004","8.425","0.002","16.778","0.004","90","","94.812","0.004","90","","2209.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 B4 Si2 Tb -","- C15 H33 B4 Si2 Tb -","- C60 H132 B16 Si8 Tb4 -","4","1","","Li, Ang; Wang, Jianhui; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Novel Sandwich Complexes of Terbium and Erbium Metals Derived from Mixed η^5^ Open-Pentadienyl and C~2~B~4~ Carborane Ligands: A Synthetic and Structural Investigation","Organometallics","2004","23","13","3091","3093","10.1021/om0497341","","","","","","","","","","","","","","","","","","","","","has coordinates","209856","2020-10-21","18:00:00",""
"4062884","8.41","0.002","11.442","0.003","14.145","0.004","73.225","0.004","74.373","0.004","76.869","0.004","1238.4","0.6","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H27 B4 Er Si2 -","- C15 H27 B4 Er Si2 -","- C30 H54 B8 Er2 Si4 -","2","1","","Li, Ang; Wang, Jianhui; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Novel Sandwich Complexes of Terbium and Erbium Metals Derived from Mixed η^5^ Open-Pentadienyl and C~2~B~4~ Carborane Ligands: A Synthetic and Structural Investigation","Organometallics","2004","23","13","3091","3093","10.1021/om0497341","","","","","","","","","","","","","","","","","","","","","has coordinates","209856","2020-10-21","18:00:00",""
"4062885","10.1832","0.0014","10.9023","0.0017","17.987","0.003","82.471","0.003","76.908","0.003","84.29","0.003","1923.2","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl2 Cr Fe O4 P2 -","- C38 H28 Cr Fe O4 P2 -","- C76 H56 Cr2 Fe2 O8 P4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049735t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062886","10.861","0.0007","14.963","0.0009","17.097","0.0011","90","0.005","105.105","0.005","90","0.005","2682.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe2 Mo O8 -","- C26 H20 Fe2 Mo O8 -","- C104 H80 Fe8 Mo4 O32 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062887","14.157","0.0011","9.496","0.0006","19.244","0.0014","90","","90.984","0.006","90","","2586.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 Fe3 Mo O11 -","- C24 H10 Fe3 Mo O11 -","- C96 H40 Fe12 Mo4 O44 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062888","9.053","0.0012","10.662","0.0011","18.504","0.003","87.076","0.01","79.318","0.012","83.152","0.01","1741.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 Fe2 Mo O7 -","- C33 H26 Fe2 Mo O7 -","- C66 H52 Fe4 Mo2 O14 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062889","13.646","0.0009","6.006","0.0007","20.478","0.0014","90","","96.767","0.006","90","","1666.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H10 Fe2 O6 -","- C18 H10 Fe2 O6 -","- C72 H40 Fe8 O24 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062890","9.543","0.0015","11.733","0.0016","17.563","0.003","90","","90","","90","","1966.5","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Fe2 O2 -","- C26 H20 Fe2 O2 -","- C104 H80 Fe8 O8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062891","8.577","0.0007","23.306","0.001","9.904","0.0011","90","","90","","90","","1979.8","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 Fe O -","- C13 H10 Fe O -","- C104 H80 Fe8 O8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062892","8.7436","0.0012","14.715","0.002","11.9556","0.0016","90","","107.611","0.002","90","","1466.1","0.3","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 O6 Rh -","- C13 H19 O6 Rh -","- C52 H76 O24 Rh4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049741p","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062893","19.476","0.004","8.943","0.0014","13.154","0.003","90","","127.725","0.005","90","","1812.1","0.6","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Cl2 Na O6 Rh -","- C12 H20 Cl2 Na O6 Rh -","- C48 H80 Cl8 Na4 O24 Rh4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049741p","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062894","10.2645","0.0005","11.0621","0.0006","11.7027","0.0007","88.235","0.003","79.977","0.002","89.138","0.002","1307.84","0.12","149","2","149","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cl6 O5 Rh -","- C19 H24 Cl6 O5 Rh -","- C38 H48 Cl12 O10 Rh2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049741p","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062895","7.002","0.001","18.91","0.004","11.667","0.002","90","","96.12","0.03","90","","1536","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 F2 Zr -","- C18 H22 F2 Zr -","- C72 H88 F8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049745u","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062896","8.753","0.002","18.251","0.004","25.778","0.005","90","","90","","90","","4118.1","1.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H30 F N Zr -","- C25 H30 F N Zr -","- C200 H240 F8 N8 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049745u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062897","8.708","0.002","27.547","0.006","8.547","0.002","90","","90","","90","","2050.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25 H29 N Zr -","- C25 H29 N Zr -","- C100 H116 N4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049745u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062898","9.7698","0.0005","10.2089","0.0006","15.4554","0.0009","78.255","0.003","78.374","0.003","89.431","0.003","1477.49","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H55 Al Sb2 -","- C24 H55 Al Sb2 -","- C48 H110 Al2 Sb4 -","2","1","","Kuczkowski, Andreas; Fahrenholz, Sonja; Schulz, Stephan; Nieger, Martin","Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with Trialkyltrieles MR~3~","Organometallics","2004","23","15","3615","3621","10.1021/om049746m","","","","","","","","","","","","","","","","","","","","","has coordinates","209910","2020-10-21","18:00:00",""
"4062899","10.328","0.0003","10.44","0.0004","13.4815","0.0006","101.056","0.001","97.883","0.001","119.513","0.001","1195.01","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H36 Ga3 Sb3 -","- C12 H36 Ga3 Sb3 -","- C24 H72 Ga6 Sb6 -","2","1","","Kuczkowski, Andreas; Fahrenholz, Sonja; Schulz, Stephan; Nieger, Martin","Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with Trialkyltrieles MR~3~","Organometallics","2004","23","15","3615","3621","10.1021/om049746m","","","","","","","","","","","","","","","","","","","","","has coordinates","209910","2020-10-21","18:00:00",""
"4062900","16.3795","0.0002","10.4832","0.0002","21.2972","0.0003","90","","98.716","0.001","90","","3614.7","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Ga3 Sb3 -","- C24 H60 Ga3 Sb3 -","- C96 H240 Ga12 Sb12 -","4","1","","Kuczkowski, Andreas; Fahrenholz, Sonja; Schulz, Stephan; Nieger, Martin","Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with Trialkyltrieles MR~3~","Organometallics","2004","23","15","3615","3621","10.1021/om049746m","","","","","","","","","","","","","","","","","","","","","has coordinates","209910","2020-10-21","18:00:00",""
"4062901","13.3859","0.0003","10.6226","0.0002","17.7192","0.0004","90","","100.684","0.001","90","","2475.87","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cyclo-dimethylstibino-dimethylindane","","","- C12 H36 In3 Sb3 -","- C12 H36 In3 Sb3 -","- C48 H144 In12 Sb12 -","4","1","","Kuczkowski, Andreas; Fahrenholz, Sonja; Schulz, Stephan; Nieger, Martin","Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with Trialkyltrieles MR~3~","Organometallics","2004","23","15","3615","3621","10.1021/om049746m","","","","","","","","","","","","","","","","","","","","","has coordinates","209910","2020-10-21","18:00:00",""
"4062902","14.1961","0.0002","9.6925","0.0001","16.0793","0.0002","90","","91.031","0.001","90","","2212.08","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Al Bi -","- C18 H42 Al Bi -","- C72 H168 Al4 Bi4 -","4","1","","Kuczkowski, Andreas; Fahrenholz, Sonja; Schulz, Stephan; Nieger, Martin","Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with Trialkyltrieles MR~3~","Organometallics","2004","23","15","3615","3621","10.1021/om049746m","","","","","","","","","","","","","","","","","","","","","has coordinates","209910","2020-10-21","18:00:00",""
"4062903","14.163","0.0002","9.7255","0.0001","16.0724","0.0002","90","","90.848","0.001","90","","2213.61","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Bi Ga -","- C18 H42 Bi Ga -","- C72 H168 Bi4 Ga4 -","4","1","","Kuczkowski, Andreas; Fahrenholz, Sonja; Schulz, Stephan; Nieger, Martin","Reactions of Distibines Sb~2~R~4~ and Dibismuthine Bi~2~Et~4~ with Trialkyltrieles MR~3~","Organometallics","2004","23","15","3615","3621","10.1021/om049746m","","","","","","","","","","","","","","","","","","","","","has coordinates","209910","2020-10-21","18:00:00",""
"4062904","8.799","0.0018","9.761","0.002","12.69","0.003","76.84","0.03","71.93","0.03","75.7","0.03","990.5","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Al Li N3 O -","- C20 H23 Al Li N3 O -","- C40 H46 Al2 Li2 N6 O2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049749z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062905","8.873","0.0018","10.458","0.002","16.807","0.003","90","","97.25","0.03","90","","1547","0.5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Al2 Li2 N6 -","- C32 H30 Al2 Li2 N6 -","- C64 H60 Al4 Li4 N12 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049749z","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062906","20.506","0.003","20.506","0.003","7.0245","0.0014","90","","90","","90","","2953.8","0.8","180","2","180","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C15 H12 Cu3 N3 -","- C15 H12 Cu3 N3 -","- C120 H96 Cu24 N24 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049749z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062907","6.833","0.003","13.633","0.006","7.711","0.003","90","","109.421","0.006","90","","677.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O7 S2 -","- C8 H4 Fe2 O7 S2 -","- C16 H8 Fe4 O14 S4 -","2","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Hu, Qing-Mei","Novel Single and Double Diiron Oxadithiolates as Models for the Active Site of [Fe]-Only Hydrogenases","Organometallics","2004","23","13","3082","3084","10.1021/om049752i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218787","2020-10-21","18:00:00",""
"4062908","32.554","0.012","11.294","0.004","13.655","0.005","90","","114.653","0.011","90","","4563","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Fe2 N2 O6 S2 -","- C16 H24 Fe2 N2 O6 S2 -","- C128 H192 Fe16 N16 O48 S16 -","8","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Hu, Qing-Mei","Novel Single and Double Diiron Oxadithiolates as Models for the Active Site of [Fe]-Only Hydrogenases","Organometallics","2004","23","13","3082","3084","10.1021/om049752i","","","","","","","","","","","","","","","","","","","","","has coordinates","218787","2020-10-21","18:00:00",""
"4062909","11.021","0.007","13.173","0.008","16.851","0.01","90","","90","","90","","2446","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Fe3 O8 S3 -","- C20 H14 Fe3 O8 S3 -","- C80 H56 Fe12 O32 S12 -","4","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Hu, Qing-Mei","Novel Single and Double Diiron Oxadithiolates as Models for the Active Site of [Fe]-Only Hydrogenases","Organometallics","2004","23","13","3082","3084","10.1021/om049752i","","","","","","","","","","","","","","","","","","","","","has coordinates","218787","2020-10-21","18:00:00",""
"4062910","10.422","0.006","13.454","0.006","14.36","0.008","117.43","0.012","106.307","0.01","94.84","0.01","1660.4","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H42 Cl6 Fe5 O12 P2 S4 -","- C51 H42 Cl6 Fe5 O12 P2 S4 -","- C51 H42 Cl6 Fe5 O12 P2 S4 -","1","0.5","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Hu, Qing-Mei","Novel Single and Double Diiron Oxadithiolates as Models for the Active Site of [Fe]-Only Hydrogenases","Organometallics","2004","23","13","3082","3084","10.1021/om049752i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218787","2020-10-21","18:00:00",""
"4062911","10.854","0.0003","12.312","0.0003","13.799","0.0004","89.479","0.0018","84.266","0.0017","71.771","0.0016","1742.24","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 O4 P2 Pd -","- C34 H58 O4 P2 Pd -","- C68 H116 O8 P4 Pd2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0497588","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062912","12.924","0.0003","16.444","0.0005","20.118","0.0006","90","","107.63","0.0014","90","","4074.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H65 Cl O4 P2 Pd2 -","- C38 H65 Cl O4 P2 Pd2 -","- C152 H260 Cl4 O16 P8 Pd8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497588","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062913","10.755","0.002","11.28","0.002","14.162","0.003","67.82","0.03","79.31","0.03","62.5","0.03","1411.1","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H42 I O3 P Pd -","- C27 H42 I O3 P Pd -","- C54 H84 I2 O6 P2 Pd2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0497588","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062914","13.022","0.001","18.466","0.001","18.605","0.001","111.13","0.002","89.66","0.002","97.27","0.003","4135.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H124 O8 P4 Pd4 -","- C88 H124 O8 P4 Pd4 -","- C176 H248 O16 P8 Pd8 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0497588","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062915","23.3813","0.0016","18.2753","0.0012","10.3662","0.0007","90","","104.098","0.001","90","","4296.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 Ni2 O0.5 P2 -","- C50 H50 Ni2 O0.51 P2 -","- C200 H200 Ni8 O2.04 P8 -","4","0.5","","T. V. V. Ramakrishna; Paul R. Sharp","Carbon-Carbon Bond Formation and Fission in the Dimerization of a Nickelacycle","Organometallics","2004","","","","","10.1021/om0497590","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062916","22.512","0.005","7.7037","0.0018","25.655","0.006","90","","97.591","0.004","90","","4410.1","1.8","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H20 -","- C36 H20 -","- C288 H160 -","8","2","","T. V. V. Ramakrishna; Paul R. Sharp","Carbon-Carbon Bond Formation and Fission in the Dimerization of a Nickelacycle","Organometallics","2004","","","","","10.1021/om0497590","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062917","15.0121","0.0015","9.7971","0.001","13.7897","0.0013","90","","95.589","0.002","90","","2018.5","0.3","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 -","- C32 H20 -","- C128 H80 -","4","1","","T. V. V. Ramakrishna; Paul R. Sharp","Carbon-Carbon Bond Formation and Fission in the Dimerization of a Nickelacycle","Organometallics","2004","","","","","10.1021/om0497590","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062918","9.2615","0.0002","16.6347","0.0003","16.115","0.0003","90","","104.57","0.0008","90","","2402.87","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AsC12H20-Na-tmeda","","","- C43 H80 As2 N4 Na2 -","- C43 H80 As2 N4 Na2 -","- C86 H160 As4 N8 Na4 -","2","0.5","","Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich","Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium","Organometallics","2004","23","14","3417","3424","10.1021/om049767g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209874","2020-10-21","18:00:00",""
"4062919","13.863","0.002","17.033","0.003","16.497","0.002","90","","91.581","0.003","90","","3893.8","1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H60 As2 O4 Rb2 -","- C32 H60 As2 O4 Rb2 -","- C128 H240 As8 O16 Rb8 -","4","1","","Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich","Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium","Organometallics","2004","23","14","3417","3424","10.1021/om049767g","","","","","","","","","","","","","","","","","","","","","has coordinates","209874","2020-10-21","18:00:00",""
"4062920","10.8517","0.0008","11.8069","0.0011","15.7508","0.0011","90","","96.962","0.009","90","","2003.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(DME)cesium 2,3,4,5-tetraethylarsolide","","","- C16 H30 As Cs O2 -","- C16 H30 As Cs O2 -","- C64 H120 As4 Cs4 O8 -","4","1","","Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich","Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium","Organometallics","2004","23","14","3417","3424","10.1021/om049767g","","","","","","","","","","","","","","","","","","","","","has coordinates","209874","2020-10-21","18:00:00",""
"4062921","26.0876","0.001","16.2526","0.001","17.3349","0.0007","90","","117.021","0.0001","90","","6547.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(DME)sodium 2,3,4,5-tetraethylstibolide","","","- C14 H25 Na O Sb -","- C14 H25 Na O Sb -","- C224 H400 Na16 O16 Sb16 -","16","2","","Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich","Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium","Organometallics","2004","23","14","3417","3424","10.1021/om049767g","","","","","","","","","","","","","","","","","","","","","has coordinates","209874","2020-10-21","18:00:00",""
"4062922","14.0169","0.0013","17.0819","0.0017","16.6808","0.0016","90","","91.246","0.002","90","","3993","0.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H60 O4 Rb2 Sb2 -","- C32 H60 O4 Rb2 Sb2 -","- C128 H240 O16 Rb8 Sb8 -","4","1","","Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich","Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium","Organometallics","2004","23","14","3417","3424","10.1021/om049767g","","","","","","","","","","","","","","","","","","","","","has coordinates","209874","2020-10-21","18:00:00",""
"4062923","14.51","0.003","17.01","0.003","16.84","0.003","90","","92.542","0.004","90","","4152.2","1.2","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H60 Cs2 O4 Sb2 -","- C32 H60 Cs2 O4 Sb2 -","- C128 H240 Cs8 O16 Sb8 -","4","1","","Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich","Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium","Organometallics","2004","23","14","3417","3424","10.1021/om049767g","","","","","","","","","","","","","","","","","","","","","has coordinates","209874","2020-10-21","18:00:00",""
"4062924","18.531","0.004","10.112","0.002","15.75","0.003","90","","112.973","0.004","90","","2717.2","0.9","203","","203","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Lu O Si2 -","- C22 H45 Lu O Si2 -","- C88 H180 Lu4 O4 Si8 -","4","1","","Thomas M. Cameron; John C. Gordon; Brian L. Scott","Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide","Organometallics","2004","","","","","10.1021/om0497700","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062925","17.961","0.006","17.961","0.006","34.786","0.015","90","","90","","90","","11222","7","203","2","203","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H47 Lu O2 Si2 -","- C22 H47 Lu O2 Si2 -","- C352 H752 Lu16 O32 Si32 -","16","1","","Thomas M. Cameron; John C. Gordon; Brian L. Scott","Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide","Organometallics","2004","","","","","10.1021/om0497700","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062926","10.837","0.005","20.678","0.009","16.96","0.007","90","","91.214","0.008","90","","3800","3","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Lu N3 O Si -","- C36 H52 Lu N3 Si -","- C144 H208 Lu4 N12 Si4 -","4","1","","Thomas M. Cameron; John C. Gordon; Brian L. Scott","Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide","Organometallics","2004","","","","","10.1021/om0497700","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062927","22.058","0.005","10.368","0.002","18.363","0.004","90","","109.127","0.004","90","","3967.6","1.4","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 Lu N4 -","- C44 H59 Lu N4 -","- C176 H236 Lu4 N16 -","4","1","","Thomas M. Cameron; John C. Gordon; Brian L. Scott","Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide","Organometallics","2004","","","","","10.1021/om0497700","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062928","10.802","0.005","12.607","0.005","13.302","0.005","86.74","0.02","77.7","0.02","77.47","0.02","1727.6","1.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H78 Lu2 N4 -","- C84 H78 Lu2 N4 -","- C84 H78 Lu2 N4 -","1","0.5","","Thomas M. Cameron; John C. Gordon; Brian L. Scott","Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide","Organometallics","2004","","","","","10.1021/om0497700","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062929","9.485","0.002","11.204","0.002","22.304","0.005","96.36","0.004","101.884","0.004","98.837","0.005","2266.9","0.9","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H41 Lu N3 O -","- C41 H33 Lu N3 -","- C82 H66 Lu2 N6 -","2","1","","Thomas M. Cameron; John C. Gordon; Brian L. Scott","Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide","Organometallics","2004","","","","","10.1021/om0497700","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062930","15.9343","0.0012","24.1026","0.0019","17.649","0.0013","90","","101.953","0.002","90","","6631.3","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 B20 Cl2 Na2 O7 Zr -","- C48 H90 B20 Cl2 Na2 O7 Zr -","- C192 H360 B80 Cl8 Na8 O28 Zr4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049771s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062931","10.9907","0.0008","12.6526","0.0009","12.7972","0.0009","61.554","0.001","79.743","0.002","72.676","0.002","1492.36","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H84 B20 Na2 O6 Zr -","- C44 H84 B20 Na2 O6 Zr -","- C44 H84 B20 Na2 O6 Zr -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049771s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062932","31.455","0.003","6.1504","0.0006","39.998","0.003","90","","107.335","0.007","90","","7386.6","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Fe2 S4 -","- C40 H44 Fe2 S4 -","- C320 H352 Fe16 S32 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049775x","","","","","","","0.068","","","0.1463","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062933","11.3709","0.0012","14.5159","0.0012","21.39","0.002","90","","94.806","0.008","90","","3518.1","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cu2 F4 Fe2 O4 P2 S4 -","- C28 H34 Cu2 F4 Fe2 O4 P2 S4 -","- C112 H136 Cu8 F16 Fe8 O16 P8 S16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049775x","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062934","22.0029","0.0006","24.9608","0.0006","33.2717","0.0012","90","","97.202","0.001","90","","18129","0.9","293","2","293","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C40 H44 Cu2 F4 Fe2 O4 P2 S4 -","- C40 H44 Cu2 F4 Fe2 O4 P2 S4 -","- C640 H704 Cu32 F64 Fe32 O64 P32 S64 -","16","2","","","","Organometallics","2004","","","","","10.1021/om049775x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062935","11.1215","0.0013","12.1727","0.0011","20.592","0.002","82.119","0.007","83.919","0.007","73.252","0.006","2637.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H50 Cl10 Fe2 Pd2 S4 -","- C43 H50 Cl10 Fe2 Pd2 S4 -","- C86 H100 Cl20 Fe4 Pd4 S8 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049775x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062936","10.4817","0.0007","11.2536","0.0008","21.2163","0.0014","91.235","0.001","99.028","0.001","92.601","0.001","2468","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C33 H63 B10 Cl2 Li N O4 Si Yb -","- C33 H57 B10 Cl2 Li N O4 Si Yb -","- C66 H114 B20 Cl4 Li2 N2 O8 Si2 Yb2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062937","20.1872","0.0007","17.9123","0.0006","22.2992","0.0008","90","","108.915","0.001","90","","7628","0.5","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C54 H102 B20 Cl3 Li N2 O5 Si2 Sm2 -","- C54 H94 B20 Cl3 Li N2 O5 Si2 Sm2 -","- C216 H376 B80 Cl12 Li4 N8 O20 Si8 Sm8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062938","20.041","0.004","17.837","0.004","22.468","0.005","90","","109.54","0.03","90","","7569","3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C57 H102 B20 Cl3 Li N2 O4 Si2 Yb2 -","- C57 H100 B20 Cl3 Li N2 O4 Si2 Yb2 -","- C228 H400 B80 Cl12 Li4 N8 O16 Si8 Yb8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062939","10.201","0.002","10.767","0.002","12.723","0.003","82.27","0.03","71.48","0.03","68.25","0.03","1230.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H62 B20 Cl2 N2 Si2 Yb2 -","- C34 H62 B20 Cl2 N2 Si2 Yb2 -","- C34 H62 B20 Cl2 N2 Si2 Yb2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062940","9.897","0.003","11.163","0.003","23.517","0.007","85.204","0.006","79.46","0.007","68.979","0.006","2384","1","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C33 H57 B10 Cl Li N2 O Si Sm -","- C33 H57 B10 Cl Li N2 O Si Sm -","- C66 H114 B20 Cl2 Li2 N4 O2 Si2 Sm2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062941","10.726","0.004","16.012","0.005","22.289","0.007","90","","95.863","0.007","90","","3808","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B10 N2 Si Yb -","- C32 H52 B10 N2 Si Yb -","- C128 H208 B40 N8 Si4 Yb4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062942","10.662","0.002","15.748","0.003","24.832","0.005","104","0.03","99.43","0.03","103.29","0.03","3829.1","1.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C57 H102 B20 Cl Li N2 O4 Si2 Sm2 -","- C57 H96 B20 Cl Li N2 O4 Si2 Sm2 -","- C114 H192 B40 Cl2 Li2 N4 O8 Si4 Sm4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062943","12.234","0.001","15.867","0.002","15.09","0.002","90","","90.118","0.002","90","","2929.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 B10 N O2 Si Yb -","- C21 H41 B10 N O2 Si Yb -","- C84 H164 B40 N4 O8 Si4 Yb4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062944","14.893","0.003","19.577","0.004","23.115","0.005","90","","90","","90","","6739","2","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C50 H94 B20 Li2 N2 O4 Si2 Yb -","- C50 H94 B20 Li2 N2 O4 Si2 Yb -","- C200 H376 B80 Li8 N8 O16 Si8 Yb4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049778+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062945","12.9536","0.0002","18.54","0.0002","13.8698","0.0001","90","","110.409","0.001","90","","3121.87","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Ge N2 -","- C36 H40 Ge N2 -","- C144 H160 Ge4 N8 -","4","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Chudakova, Valentina A.; Khvoinova, Natalie M.; Baurin, Andrey Y.; Dechert, Sebastian; Hummert, Markus; Schumann, Herbert","Stable Germylenes Derived from 1,2-Bis(arylimino)acenaphthenes","Organometallics","2004","","","","","10.1021/om0497846","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062946","10.4589","0.0003","11.6823","0.0003","16.8483","0.0004","78.16","","83.283","0.001","82.017","0.001","1986.93","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 Ge N2 O -","- C44 H58 Ge N2 O -","- C88 H116 Ge2 N4 O2 -","2","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Chudakova, Valentina A.; Khvoinova, Natalie M.; Baurin, Andrey Y.; Dechert, Sebastian; Hummert, Markus; Schumann, Herbert","Stable Germylenes Derived from 1,2-Bis(arylimino)acenaphthenes","Organometallics","2004","","","","","10.1021/om0497846","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062947","15.7687","0.0005","11.0059","0.0003","16.5298","0.0006","90","","110.87","0.002","90","","2680.51","0.15","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ge N2 -","- C36 H24 Ge N2 -","- C144 H96 Ge4 N8 -","4","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Chudakova, Valentina A.; Khvoinova, Natalie M.; Baurin, Andrey Y.; Dechert, Sebastian; Hummert, Markus; Schumann, Herbert","Stable Germylenes Derived from 1,2-Bis(arylimino)acenaphthenes","Organometallics","2004","","","","","10.1021/om0497846","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062948","43.515","0.008","6.2634","0.0012","11.651","0.003","90","0.001","90","0.001","90","0.001","3175.6","1.1","163","2","163","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062949","9.4234","0.0006","5.9391","0.0003","10.988","0.0006","90","0.001","114.399","0.002","90","0.001","560.04","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 O -","- C8 H5 O -","- C32 H20 O4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062950","10.1345","0.0006","17.4948","0.0004","19.2433","0.0006","90","0.001","90","0.001","90","0.001","3411.9","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H32 N2 O4 -","- C48 H32 N2 O4 -","- C192 H128 N8 O16 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062951","18.768","0.004","26.982","0.005","21.791","0.004","90","","107.8","0.03","90","","10507","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.5 Cl1.5 F6 N2 Ni O4 Sb -","- C61.21 H32 Cl0.76 F6 N2 Ni O4 Sb -","- C489.68 H256 Cl6.08 F48 N16 Ni8 O32 Sb8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062952","7.4766","0.0011","13.615","0.002","21.374","0.003","90","0.001","92.363","0.003","90","0.001","2173.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 B F4 O5 -","- C23 H21 B F4 O5 -","- C92 H84 B4 F16 O20 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062953","7.27","0.003","23.042","0.005","20.403","0.004","90","0.001","93.01","0.03","90","0.001","3413.1","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 N2 O8 -","- C44 H34 N2 O8 -","- C176 H136 N8 O32 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062954","9.9311","0.001","10.4178","0.001","10.5242","0.001","100.436","0.002","93.297","0.002","117.185","0.002","940.21","0.16","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C44 H38 N2 O10 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062955","8.5187","0.0008","14.5148","0.0015","18.5729","0.0019","90","0.001","99.47","0.002","90","0.001","2265.2","0.4","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl3 N O2 -","- C25 H21 Cl3 N O2 -","- C100 H84 Cl12 N4 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062956","15.347","0.001","12.078","0.001","11.071","0.001","90","","104.87","0.01","90","","1983.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H28 Cl2 Si Zr -","- C19 H28 Cl2 Si Zr -","- C76 H112 Cl8 Si4 Zr4 -","4","1","","Antinolo, A.; Fajardo, M.; Gómez-Ruiz, S.; López-Solera, Isabel; Otero, A.; Prashar, S.","Hydrosilylation in the Design and Functionalization of ansa-Metallocene Complexes","Organometallics","2004","","","","","10.1021/om049791u","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062957","36.301","0.007","25.675","0.005","23.956","0.005","90","","93.81","0.03","90","","22278","8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53.5 H39 B2 Cl F24 Fe O2 -","- C53.5 H39 B2 Cl F24 Fe O2 -","- C856 H624 B32 Cl16 F384 Fe16 O32 -","16","2","","","","Organometallics","2004","","","","","10.1021/om049793e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062958","9.584","0.0002","17.3711","0.0003","12.9997","0.0002","90","","111.249","0.001","90","","2017.11","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 B Cl Fe O2 -","- C21 H26 B Cl Fe O2 -","- C84 H104 B4 Cl4 Fe4 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049793e","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062959","8","0.0016","8.677","0.0017","14.65","0.003","92.67","0.03","101.17","0.03","97.57","0.03","986.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 B F Fe O2 -","- C21 H26 B F Fe O2 -","- C42 H52 B2 F2 Fe2 O4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049793e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062960","12.286","0.003","19.347","0.004","20.36","0.004","90","","104.19","0.03","90","","4691.9","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H27 B F24 Fe O3 -","- C45 H27 B F24 Fe O3 -","- C180 H108 B4 F96 Fe4 O12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049793e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062961","17.935","0.004","19.412","0.004","29.048","0.006","90","","90","","90","","10113","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H39 B F24 Fe O2 -","- C50 H39 B F24 Fe O2 -","- C400 H312 B8 F192 Fe8 O16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049793e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062962","21.5502","0.0003","12.5448","0.0002","22.8344","0.0005","90","","106.43","0.001","90","","5921.04","0.18","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C58.5 H40.5 B F24 Fe O3 -","- C57 H37 B F24 Fe O3 -","- C228 H148 B4 F96 Fe4 O12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049793e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062963","9.2694","0.0005","10.5706","0.0006","12.7448","0.0007","78.295","0.001","69.143","0.001","72.425","0.001","1106.08","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 B Mo N9 O -","- C19 H26 B Mo N9 O -","- C38 H52 B2 Mo2 N18 O2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049795z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062964","19.2002","0.0011","12.8053","0.0007","23.2887","0.0013","90","","110.996","0.001","90","","5345.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B F3 Mo N9 O4 S -","- C20 H25 B F3 Mo N9 O4 S -","- C160 H200 B8 F24 Mo8 N72 O32 S8 -","8","2","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062965","18.8779","0.0004","17.1865","0.0004","17.8513","0.0004","90","","113.396","0.001","90","","5315.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O9 Ru3 -","- C26 H16 N2 O9 Ru3 -","- C208 H128 N16 O72 Ru24 -","8","2","","Javier A. Cabeza; Ignacio del Río; Víctor Riera; Marta Suárez; Santiago García-Granda","Reactivity of a Triruthenium Cluster Complex Containing a mu3-eta3-C,N2 Ligand Derived from 2-Amino-7,8-benzoquinoline. Coupling of This Ligand with C3 Fragments and Characterization of mu3-Vinylidene and mu-Stannylene Derivatives","Organometallics","2004","","","","","10.1021/om049797j","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062966","8.7066","0.0003","9.4704","0.0003","16.0495","0.0005","78.35","0.002","85.847","0.002","85.284","0.003","1289.6","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H14 Cl2 N2 O8 Ru3 -","- C25 H14 Cl2 N2 O8 Ru3 -","- C50 H28 Cl4 N4 O16 Ru6 -","2","1","","Javier A. Cabeza; Ignacio del Río; Víctor Riera; Marta Suárez; Santiago García-Granda","Reactivity of a Triruthenium Cluster Complex Containing a mu3-eta3-C,N2 Ligand Derived from 2-Amino-7,8-benzoquinoline. Coupling of This Ligand with C3 Fragments and Characterization of mu3-Vinylidene and mu-Stannylene Derivatives","Organometallics","2004","","","","","10.1021/om049797j","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062967","7.4346","0.001","20.515","0.003","19.854","0.003","90","","100.515","0.008","90","","2977.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H16 N4 O7 Ru3 -","- C33 H16 N4 O7 Ru3 -","- C132 H64 N16 O28 Ru12 -","4","1","","Javier A. Cabeza; Ignacio del Río; Víctor Riera; Marta Suárez; Santiago García-Granda","Reactivity of a Triruthenium Cluster Complex Containing a mu3-eta3-C,N2 Ligand Derived from 2-Amino-7,8-benzoquinoline. Coupling of This Ligand with C3 Fragments and Characterization of mu3-Vinylidene and mu-Stannylene Derivatives","Organometallics","2004","","","","","10.1021/om049797j","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062968","13.34","0.001","11.9377","0.0007","21.5467","0.0014","90","","92.751","0.004","90","","3427.3","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H26 N2 O8 Ru3 Sn -","- C30.5 H26 N2 O8 Ru3 Sn -","- C122 H104 N8 O32 Ru12 Sn4 -","4","1","","Javier A. Cabeza; Ignacio del Río; Víctor Riera; Marta Suárez; Santiago García-Granda","Reactivity of a Triruthenium Cluster Complex Containing a mu3-eta3-C,N2 Ligand Derived from 2-Amino-7,8-benzoquinoline. Coupling of This Ligand with C3 Fragments and Characterization of mu3-Vinylidene and mu-Stannylene Derivatives","Organometallics","2004","","","","","10.1021/om049797j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062969","8.312","0.001","16.271","0.002","11.707","0.002","90","","93.262","0.002","90","","1580.7","0.4","141.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O2 S Zr -","- C16 H13.95 Br N O2 S Zr -","- C64 H55.8 Br4 N4 O8 S4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497994","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062970","11.1348","0.0007","13.1666","0.0008","26.545","0.002","90","","92.467","0.001","90","","3888","0.4","163.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H49 N2 O P Zr -","- C48.5 H49 N2 O P Zr -","- C194 H196 N8 O4 P4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497994","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062971","11.9568","0.0007","16.075","0.001","21.155","0.001","90","","105.516","0.001","90","","3917.9","0.4","153.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 N O P Zr -","- C22 H20 O1.88 P Zr -","- C176 H160 O15.04 P8 Zr8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om0497994","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062972","20.924","0.007","11.808","0.005","7.7","0.003","90","","99.47","0.03","90","","1876.5","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 B2 N -","- C22 H27 B2 N -","- C88 H108 B8 N4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049800z","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062973","18.9342","0.0014","11.7733","0.0009","19.3032","0.0015","90","","101.264","0.0018","90","","4220.1","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 B2 Li2 N5 -","- C41 H65 B2 Li2 N5 -","- C164 H260 B8 Li8 N20 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049800z","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062974","10.788","0.001","18.1386","0.0016","22.673","0.002","90","","93.02","0.007","90","","4430.6","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 Cl N4 O14 P Pt -","- C43 H40 Cl N4 O14 P Pt -","- C172 H160 Cl4 N16 O56 P4 Pt4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049801r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062975","8.606","0.003","11.552","0.005","14.68","0.004","93.59","0.03","102.6","0.03","91.88","0.03","1419.9","0.9","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N4 O16 Pt -","- C22 H30 N4 O16 Pt -","- C44 H60 N8 O32 Pt2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049801r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062976","10.4998","0.0006","9.3162","0.0006","27.0169","0.0016","90","","90.89","0.003","90","","2642.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl2 N4 O15 Pt -","- C19 H22 Cl2 N4 O15 Pt -","- C76 H88 Cl8 N16 O60 Pt4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049801r","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062977","16.0619","0.0006","13.112","0.0005","17.5245","0.0006","90","","94.589","0.001","90","","3678.9","0.2","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cl3 F3 N5 O16 Pt -","- C25 H31 Cl3 F3 N5 O16 Pt -","- C100 H124 Cl12 F12 N20 O64 Pt4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049801r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062978","14.774","0.005","12.732","0.003","21.413","0.006","90","","94.31","0.03","90","","4016","2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cr Mn O7 -","- C21 H13 Cr Mn O7 -","- C168 H104 Cr8 Mn8 O56 -","8","2","","Schouteeten, Stéphanie; Tranchier, Jean-Philippe; Rose-Munch, Françoise; Rose, Eric; Auffrant, Audrey; Stephenson, G. Richard","Cationic (η6-Arene)tricarbonylmanganese Linked to Neutral (η6-Arene)tricarbonylchromium Complexes","Organometallics","2004","23","18","4308","4316","10.1021/om049807g","","","","","","","","","","","","","","","","","","","","","has coordinates","209905","2020-10-21","18:00:00",""
"4062979","12.338","0.002","12.704","0.004","14.557","0.003","90","","90","","90","","2281.8","0.9","295","","295","","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C21 H12 B Cr F4 Mn O7 -","- C21 H12 B Cr F4 Mn O7 -","- C84 H48 B4 Cr4 F16 Mn4 O28 -","4","1","","Schouteeten, Stéphanie; Tranchier, Jean-Philippe; Rose-Munch, Françoise; Rose, Eric; Auffrant, Audrey; Stephenson, G. Richard","Cationic (η6-Arene)tricarbonylmanganese Linked to Neutral (η6-Arene)tricarbonylchromium Complexes","Organometallics","2004","23","18","4308","4316","10.1021/om049807g","","","","","","","","","","","","","","","","","","","","","has coordinates","209905","2020-10-21","18:00:00",""
"4062980","12.367","0.003","11.75","0.008","14.778","0.006","90","","104.46","0.03","90","","2079.4","1.7","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 Cr O4 S -","- C24 H14 Cr O4 S -","- C96 H56 Cr4 O16 S4 -","4","1","","Schouteeten, Stéphanie; Tranchier, Jean-Philippe; Rose-Munch, Françoise; Rose, Eric; Auffrant, Audrey; Stephenson, G. Richard","Cationic (η6-Arene)tricarbonylmanganese Linked to Neutral (η6-Arene)tricarbonylchromium Complexes","Organometallics","2004","23","18","4308","4316","10.1021/om049807g","","","","","","","","","","","","","","","","","","","","","has coordinates","209905","2020-10-21","18:00:00",""
"4062981","8.22","0.006","31.73","0.04","10.891","0.01","90","","91.78","0.03","90","","2839","5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Cl2 N5 Zr -","- C29 H32 Cl2 N5 Zr -","- C116 H128 Cl8 N20 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498089","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062982","13.105","0.003","12.676","0.003","19.448","0.004","90","","99.39","0.03","90","","3187.3","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 N4 Si2 Zr -","- C29 H46 N4 Si2 Zr -","- C116 H184 N16 Si8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498089","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062983","14.1188","0.0008","10.4957","0.0006","13.9087","0.0008","90","","93.618","0.001","90","","2057","0.2","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H15 Cl2 Mn Mo O5 S2 -","- C15 H15 Cl2 Mn Mo O5 S2 -","- C60 H60 Cl8 Mn4 Mo4 O20 S8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049811s","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062984","9.1489","0.0004","10.2783","0.0005","12.1729","0.0006","100.363","0.001","108.147","0.001","96.447","0.001","1052.51","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 Mn Mo O5 S2 -","- C22 H13 Mn Mo O5 S2 -","- C44 H26 Mn2 Mo2 O10 S4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049811s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062985","9.5819","0.0006","11.7131","0.0008","15.1648","0.001","90","","97.602","0.001","90","","1687.04","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Mn Mo O5 S2 -","- C14 H11 Mn Mo O5 S2 -","- C56 H44 Mn4 Mo4 O20 S8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049811s","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062986","14.3204","0.001","10.2443","0.0007","14.1102","0.001","90","","93.845","0.002","90","","2065.3","0.2","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C16 H13 Cl2 Mn Mo O5 S2 -","- C16 H13 Cl2 Mn Mo O5 S2 -","- C64 H52 Cl8 Mn4 Mo4 O20 S8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049811s","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062987","15.082","0.003","13.658","0.003","24.254","0.005","90","","90.446","0.004","90","","4995.8","1.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H15 Cl2 Mn Mo O5 S2 -","- C82 H15 Cl2 Mn Mo O5 S2 -","- C328 H60 Cl8 Mn4 Mo4 O20 S8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049811s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062988","14.7275","0.001","11.6741","0.0009","9.1015","0.0007","90","","90","","90","","1564.8","0.2","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H5 Mn Mo O5 S4 -","- C5 H2.5 Mn0.5 Mo0.5 O2.5 S2 -","- C40 H20 Mn4 Mo4 O20 S16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049811s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062989","12.2685","0.0008","15.9849","0.001","12.707","0.0008","90","","95.615","0.0016","90","","2480","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 F2 O2 Rh3 -","- C24 H39 F2 O2 Rh3 -","- C96 H156 F8 O8 Rh12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049813c","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062990","13.269","0.007","16.22","0.008","21.577","0.011","90","","104.708","0.009","90","","4492","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H84 F2 P4 Rh2 -","- C36 H84 F2 P4 Rh2 -","- C144 H336 F8 P16 Rh8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049813c","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062991","12.094","0.0006","14.2831","0.0007","28.7245","0.0014","90","","91.693","0.001","90","","4959.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 N2 P2 -","- C60 H64 N2 P2 -","- C240 H256 N8 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4062992","13.818","0.002","12.222","0.002","17.973","0.003","90","","98.969","0.003","90","","2998.2","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Li N O2 P -","- C34 H39 Li N O2 P -","- C136 H156 Li4 N4 O8 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062993","10.288","0.0002","17.849","0.0004","18.129","0.0005","90","","105.092","0.001","90","","3214.22","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl N Ni P2 -","- C33 H40 Cl N Ni P2 -","- C132 H160 Cl4 N4 Ni4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062994","10.353","0.0002","17.738","0.0004","18.27","0.0003","90","","105.801","0.001","90","","3228.35","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 N Ni P2 -","- C34 H43 N Ni P2 -","- C136 H172 N4 Ni4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062995","10.611","0.002","35.051","0.007","9.682","0.0019","90","","105.03","0.03","90","","3477.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H45 N Ni P2 -","- C39 H45 N Ni P2 -","- C156 H180 N4 Ni4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4062996","9.11","0.0003","10.878","0.0003","16.781","0.0007","82.948","0.001","88.114","0.001","67.064","0.002","1519.71","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 N Ni P -","- C37 H37 N Ni P -","- C74 H74 N2 Ni2 P2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062997","9.5852","0.0002","14.042","0.0003","20.0909","0.0005","90","","90","","90","","2704.14","0.11","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 N Ni P -","- C33 H29 N Ni P -","- C132 H116 N4 Ni4 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062998","12.1885","0.0015","12.8472","0.0016","29.541","0.004","79.605","0.003","88.967","0.003","69.211","0.003","4248.3","0.9","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H84 N2 Si8 Ti2 -","- C44 H84 N2 Si8 Ti2 -","- C132 H252 N6 Si24 Ti6 -","3","1.5","","","","Organometallics","2004","","","","","10.1021/om049817h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062999","10.629","0.005","11.259","0.005","15.092","0.007","78.989","0.013","77.807","0.013","75.172","0.012","1688.5","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H51 N Si5 Ti -","- C25 H51 N Si5 Ti -","- C50 H102 N2 Si10 Ti2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049817h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063000","10.0233","0.0006","15.855","0.001","18.8535","0.0012","90","","90","","90","","2996.2","0.3","218","2","218","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 Fe I P2 Pd -","- C30 H41 Fe I P2 Pd -","- C120 H164 Fe4 I4 P8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049818+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063001","9.2842","0.0005","20.3819","0.0011","21.5571","0.0012","90","","95.904","0.001","90","","4057.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H58 Fe I2 P2 Pd -","- C33 H49 Fe I2 P2 Pd -","- C132 H196 Fe4 I8 P8 Pd4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049818+","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063002","13.8643","0.0014","11.1226","0.001","13.9734","0.0014","90","","106.541","0.002","90","","2065.6","0.3","218","2","218","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H46 Cl3 Fe I2 P2 Pd -","- C37 H49 Cl3 Fe I2 P2 Pd -","- C74 H98 Cl6 Fe2 I4 P4 Pd2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049818+","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063003","11.9579","0.0003","12.3233","0.0003","22.1029","0.0005","106.002","0.002","97.916","0.002","92.123","0.001","3091.4","0.1","296.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H50 Cl4 N4 P2 S2 Zn -","- C70 H50 Cl4 N4 P2 S2 Zn -","- C140 H100 Cl8 N8 P4 S4 Zn2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0498201","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063004","9.2571","0.0005","12.9976","0.0007","13.4635","0.0006","63.579","0.002","84.735","0.002","69.717","0.002","1357","0.12","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H26 B9 Cu Mn O3 P -","- C23 H26 B9 Cu Mn O3 P -","- C46 H52 B18 Cu2 Mn2 O6 P2 -","2","1","","Hata, Mitsuhiro; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Revisiting [Mn(CO)~3~(η^5^-nido-7,8-C~2~B~9~H~11~)], the dicarbollide analogue of [(η^5^-C~5~H~5~)Mn(CO)~3~]: reactivity studies leading to boron-atom functionalization","Organometallics","2004","","","","","10.1021/om049822l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063005","9.0699","0.0011","13.2594","0.0014","13.6338","0.0016","62.765","0.005","84.531","0.006","70.333","0.006","1369.4","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H26 Au B9 Mn O3 P -","- C23 H26 Au B9 Mn O3 P -","- C46 H52 Au2 B18 Mn2 O6 P2 -","2","1","","Hata, Mitsuhiro; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Revisiting [Mn(CO)~3~(η^5^-nido-7,8-C~2~B~9~H~11~)], the dicarbollide analogue of [(η^5^-C~5~H~5~)Mn(CO)~3~]: reactivity studies leading to boron-atom functionalization","Organometallics","2004","","","","","10.1021/om049822l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063006","12.9981","0.0012","9.0076","0.0009","13.6019","0.0015","90","","109.397","0.005","90","","1502.1","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B9 Mn N O3 -","- C8 H17 B9 Mn N O3 -","- C32 H68 B36 Mn4 N4 O12 -","4","1","","Hata, Mitsuhiro; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Revisiting [Mn(CO)~3~(η^5^-nido-7,8-C~2~B~9~H~11~)], the dicarbollide analogue of [(η^5^-C~5~H~5~)Mn(CO)~3~]: reactivity studies leading to boron-atom functionalization","Organometallics","2004","","","","","10.1021/om049822l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063007","9.212","0.002","14.065","0.006","36.64","0.012","90","","95.61","0.02","90","","4725","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H51 B9 Mn N O3 P2 -","- C50 H51 B9 Mn N O3 P2 -","- C200 H204 B36 Mn4 N4 O12 P8 -","4","1","","Hata, Mitsuhiro; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Revisiting [Mn(CO)~3~(η^5^-nido-7,8-C~2~B~9~H~11~)], the dicarbollide analogue of [(η^5^-C~5~H~5~)Mn(CO)~3~]: reactivity studies leading to boron-atom functionalization","Organometallics","2004","","","","","10.1021/om049822l","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063008","13.001","0.014","9.256","0.01","15.422","0.014","90","","103.79","0.04","90","","1802","3","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H23 B9 Mn N O3 -","- C11 H23 B9 Mn N O3 -","- C44 H92 B36 Mn4 N4 O12 -","4","1","","Hata, Mitsuhiro; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Revisiting [Mn(CO)~3~(η^5^-nido-7,8-C~2~B~9~H~11~)], the dicarbollide analogue of [(η^5^-C~5~H~5~)Mn(CO)~3~]: reactivity studies leading to boron-atom functionalization","Organometallics","2004","","","","","10.1021/om049822l","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063009","10.4469","0.0005","10.5233","0.0006","10.6829","0.0006","71.968","0.001","62.053","0.001","82.167","0.001","986.46","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 F6 N6 Os P2 -","- C44 H36 F6 N6 Os P2 -","- C44 H36 F6 N6 Os P2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om0498246","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063010","17.1","0.008","11.452","0.005","19.78","0.01","90","","114.213","0.008","90","","3533","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Cl2 N2 P2 Ti2 -","- C31 H55 Cl2 N2 P2 Ti2 -","- C124 H220 Cl8 N8 P8 Ti8 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063011","11.5454","0.0012","15.1684","0.0016","13.9632","0.0014","90","","107.109","0.003","90","","2337.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H42 N P Ti -","- C23 H42 N P Ti -","- C92 H168 N4 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063012","13.673","0.008","10.905","0.007","30.72","0.02","90","","90.861","0.012","90","","4580","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H57 N P Ti -","- C52 H57 N P Ti -","- C208 H228 N4 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063013","17.654","0.01","15.355","0.009","11.611","0.006","90","","90","","90","","3147","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H47 N P Si2 Ti -","- C25 H47 N P Si2 Ti -","- C100 H188 N4 P4 Si8 Ti4 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063014","14.704","0.008","19.551","0.011","16.03","0.008","90","","92.247","0.011","90","","4605","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 N P Ti -","- C21 H40 N P Ti -","- C168 H320 N8 P8 Ti8 -","8","2","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063015","8.398","0.002","10.683","0.003","14.425","0.004","92.977","0.006","97.38","0.006","106.036","0.006","1228.3","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H44 N P Ti -","- C23 H32 N P Ti -","- C46 H64 N2 P2 Ti2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063016","15.861","0.013","12.409","0.01","12.468","0.01","90","","102.927","0.014","90","","2392","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H36 N P Si -","- C23 H36 N P Si -","- C92 H144 N4 P4 Si4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063017","10.394","0.006","11.24","0.007","12.855","0.008","81.526","0.01","77.385","0.01","88.547","0.011","1449.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H35 Cl2 N P Ti -","- C28 H35 Cl2 N P Ti -","- C56 H70 Cl4 N2 P2 Ti2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063018","12.409","0.007","19.664","0.011","14.132","0.007","90","","100.792","0.011","90","","3388","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 Cl2 N P Ti -","- C33 H42 Cl2 N P Ti -","- C132 H168 Cl8 N4 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063019","9.37","0.005","20.591","0.012","12.046","0.007","90","","100.181","0.011","90","","2288","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N P Ti -","- C25 H32 N P Ti -","- C100 H128 N4 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063020","20.261","0.019","9.274","0.009","29.54","0.03","90","","91.409","0.017","90","","5548","9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N P Ti -","- C30 H42 N P Ti -","- C240 H336 N8 P8 Ti8 -","8","2","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063021","20.51","0.01","8.536","0.004","15.276","0.008","90","","90","","90","","2675","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H42 N O2 P Ti -","- C24 H42 N O2 P Ti -","- C96 H168 N4 O8 P4 Ti4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063022","9.8875","0.001","10.179","0.0014","17.176","0.0015","88.177","0.009","85.13","0.008","64.541","0.01","1555.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H44 B Li N6 O2 -","- C29 H44 B Li N6 O2 -","- C58 H88 B2 Li2 N12 O4 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063023","9.6245","0.0011","9.7384","0.001","38.395","0.004","90","","90","","90","","3598.7","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 B Li2 N6 O3 -","- C33 H51 B Li2 N6 O3 -","- C132 H204 B4 Li8 N24 O12 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063024","11.9893","0.0015","15.4349","0.0018","19.073","0.003","90","","104.833","0.014","90","","3411.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 B K2 N6 O2 -","- C29 H43 B K2 N6 O2 -","- C116 H172 B4 K8 N24 O8 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063025","18.9066","0.0003","18.731","0.0003","22.4504","0.0003","90","","114.72","0.001","90","","7222","0.2","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[C6H4(NCH2tBu)2Si(Ad)Si(SiMe3)2]","","","- C32 H58 N2 Si4 -","- C32 H58 N2 Si4 -","- C256 H464 N16 Si32 -","8","2","","","","Organometallics","2004","","","","","10.1021/om0498302","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063026","11.757","0.001","14.3783","0.0002","15.4551","0.0002","90","","90","","90","","2612.62","0.05","298","2","298","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 B F4 N O2 P Pd -","- C26 H27 B F4 N O2 P Pd -","- C104 H108 B4 F16 N4 O8 P4 Pd4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","0.031","","","0.0674","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063027","9.8551","0.0002","13.8146","0.0001","21.6204","0.0002","90","","90","","90","","2943.49","0.07","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 F6 N O2 P2 Pd -","- C27 H29 F6 N O2 P2 Pd -","- C108 H116 F24 N4 O8 P8 Pd4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063028","17.4507","0.0005","32.4226","0.0009","18.0794","0.0005","90","","114.051","0.001","90","","9341.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 B F20 N2 Zr -","- C46 H41 B F20 N2 Zr -","- C368 H328 B8 F160 N16 Zr8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063029","8.4813","0.0002","14.9398","0.0004","16.1598","0.0005","90","","90.231","0.001","90","","2047.57","0.1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 Cl2 N2 Zr -","- C17 H30 Cl2 N2 Zr -","- C68 H120 Cl8 N8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063030","12.9186","0.0004","14.0189","0.0004","13.7982","0.0004","90","","102.638","0.001","90","","2438.37","0.12","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H34 Cl2 N2 Zr -","- C23 H34 Cl2 N2 Zr -","- C92 H136 Cl8 N8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063031","18.687","0.003","18.867","0.003","14.364","0.002","90","","110.486","0.002","90","","4744","1.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 Cl2 N2 Zr -","- C21 H38 Cl2 N2 Zr -","- C168 H304 Cl16 N16 Zr8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063032","9.4374","0.0003","14.3873","0.0004","15.1505","0.0005","90","","90","","90","","2057.12","0.11","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 Cl2 N2 Zr -","- C17 H30 Cl2 N2 Zr -","- C68 H120 Cl8 N8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063033","10.1924","0.0002","11.7577","0.0003","17.2669","0.0004","90","","102.22","","90","","2022.37","0.08","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 N2 Zr -","- C19 H36 N2 Zr -","- C76 H144 N8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063034","8.9053","0.0018","9.984","0.002","28.057","0.006","90","","98.507","0.003","90","","2467.1","0.9","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H44 N2 Zr -","- C23 H44 N2 Zr -","- C92 H176 N8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063035","22.4895","0.0005","17.4563","0.0004","24.1544","0.0006","90","","90","","90","","9482.6","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H35 B Cl2 F20 N2 Zr -","- C47 H35 B Cl2 F20 N2 Zr -","- C376 H280 B8 Cl16 F160 N16 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063036","9.2326","0.0009","17.7648","0.0017","12.1457","0.0011","90","","101.791","0.001","90","","1950","0.3","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O Pd -","- C23 H24 N2 O Pd -","- C92 H96 N8 O4 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049838b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063037","8.588","0.005","8.74","0.005","9.09","0.004","67.7","0.04","73.47","0.04","64.02","0.04","561.7","0.5","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Br2 N2 Ni -","- C26 H18 Br2 N2 Ni -","- C26 H18 Br2 N2 Ni -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om0498394","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063038","12.08","0.02","14.76","0.03","16.46","0.03","90","","108.1","0.1","90","","2790","8","123.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Br2 N2 Ni -","- C30 H26 Br2 N2 Ni -","- C120 H104 Br8 N8 Ni4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498394","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063039","9.7777","0.0011","10.6494","0.0012","14.6628","0.0017","92.226","0.002","95.533","0.002","111.283","0.002","1411.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H56 Cl2 Cr Fe6 N6 -","- C67 H56 Cl2 Cr Fe6 N6 -","- C67 H56 Cl2 Cr Fe6 N6 -","1","0.5","","Thomas H. Holovics; Stephan F. Deplazes; Masaharu Toriyama; Douglas R. Powell; Gerald H. Lushington; Mikhail Barybin","Organometallic Isocyanocyclopentadienides: A Combined Synthetic, Spectroscopic, Structural, Electrochemical, and Theoretical Investigation","Organometallics","2004","","","","","10.1021/om049842n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063040","12.422","0.003","12.638","0.003","16.81","0.003","94.215","0.004","91.765","0.004","93.017","0.004","2626.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H24 Cr Mn6 N6 O18 -","- C54 H24 Cr Mn6 N6 O18 -","- C108 H48 Cr2 Mn12 N12 O36 -","2","1","","Thomas H. Holovics; Stephan F. Deplazes; Masaharu Toriyama; Douglas R. Powell; Gerald H. Lushington; Mikhail Barybin","Organometallic Isocyanocyclopentadienides: A Combined Synthetic, Spectroscopic, Structural, Electrochemical, and Theoretical Investigation","Organometallics","2004","","","","","10.1021/om049842n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063041","13.0914","0.0007","16.6234","0.0009","16.8244","0.0009","68.977","0.002","77.423","0.002","87.49","0.002","3333.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H56 Cl2 Cr Fe6 N6 O6 V -","- C73 H56 Cl2 Cr Fe6 N6 O6 V -","- C146 H112 Cl4 Cr2 Fe12 N12 O12 V2 -","2","1","","Thomas H. Holovics; Stephan F. Deplazes; Masaharu Toriyama; Douglas R. Powell; Gerald H. Lushington; Mikhail Barybin","Organometallic Isocyanocyclopentadienides: A Combined Synthetic, Spectroscopic, Structural, Electrochemical, and Theoretical Investigation","Organometallics","2004","","","","","10.1021/om049842n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063042","19.0172","0.0012","21.7693","0.0014","30.9281","0.0019","90","","94.422","0.002","90","","12765.8","1.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H56 B2 Cl2 Cr F8 Fe6 N6 -","- C67 H56 B2 Cl2 Cr F8 Fe6 N6 -","- C536 H448 B16 Cl16 Cr8 F64 Fe48 N48 -","8","2","","Thomas H. Holovics; Stephan F. Deplazes; Masaharu Toriyama; Douglas R. Powell; Gerald H. Lushington; Mikhail Barybin","Organometallic Isocyanocyclopentadienides: A Combined Synthetic, Spectroscopic, Structural, Electrochemical, and Theoretical Investigation","Organometallics","2004","","","","","10.1021/om049842n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063043","22.768","0.002","8.6694","0.0007","17.6035","0.0016","90","","118.569","0.003","90","","3051.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H42 N2 O4 Pd -","- C31 H42 N2 O4 Pd -","- C124 H168 N8 O16 Pd4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049843f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063044","9.8267","0.0009","16.9277","0.0015","20.2409","0.0019","90","","90","","90","","3366.9","0.5","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H38 F6 N2 O5 Pd -","- C31 H38 F6 N2 O5 Pd -","- C124 H152 F24 N8 O20 Pd4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049843f","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063045","13.0617","0.0002","11.3621","0.0002","13.6659","0.0002","90","","90.5678","0.0012","90","","2028.08","0.06","150","1","150","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H41 Cl5 N4 O2 P Rh S -","- C39 H41 Cl5 N4 O2 P Rh S -","- C78 H82 Cl10 N8 O4 P2 Rh2 S2 -","2","1","","Koshevoy, Igor O.; Tunik, Sergey P.; Poë, Anthony J.; Lough, Alan; Pursiainen, Jouni; Pirilä, Päivi","A chiral bis(oxazoline) phosphine with a rigid backbone: ligand synthesis and characterization of products obtained in highly diastereoselective reactions with a rhodium(I) complex and a tetrahedral ""RhRu~3~"" cluster","Organometallics","2004","23","11","2641","2650","10.1021/om0498450","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4063046","13.0819","0.0004","37.6066","0.001","13.1271","0.0003","90","","110.002","0.0012","90","","6068.5","0.3","150","1","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C53 H51 N4 O10 P Rh Ru3 S -","- C50 H44 N4 O10 P Rh Ru3 S -","- C200 H176 N16 O40 P4 Rh4 Ru12 S4 -","4","2","","Koshevoy, Igor O.; Tunik, Sergey P.; Poë, Anthony J.; Lough, Alan; Pursiainen, Jouni; Pirilä, Päivi","A chiral bis(oxazoline) phosphine with a rigid backbone: ligand synthesis and characterization of products obtained in highly diastereoselective reactions with a rhodium(I) complex and a tetrahedral ""RhRu~3~"" cluster","Organometallics","2004","23","11","2641","2650","10.1021/om0498450","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4063047","10.9651","0.0018","9.6081","0.0018","14.152","0.002","90","","110.92","0.01","90","","1392.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Cl2 Cr P4 -","- C20 H48 Cl2 Cr P4 -","- C40 H96 Cl4 Cr2 P8 -","2","0.5","","Giovanni Ricci; Alessandra Forni; Aldo Boglia; Mauro Sonzogni","New Chromium(II) bidentate phosphine complexes: synthesis, characterization and behaviour in the polymerization of 1,3-butadiene","Organometallics","2004","","","","","10.1021/om049846s","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063048","16.9853","0.0005","23.0474","0.0007","8.5371","0.0002","90","","91.152","0.002","90","","3341.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B7 Br V -","- C14 H19 B7 Br V -","- C112 H152 B56 Br8 V8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om0498504","","","","","","","0.0596","","","0.1275","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063049","13.6238","0.0013","19.604","0.002","13.6755","0.0007","90","","90","","90","","3652.4","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H24 B14 Cl Nb -","- C8 H24 B14 Cl Nb -","- C64 H192 B112 Cl8 Nb8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0498504","","","","","","","0.1056","","","0.2366","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063050","7.7853","0.0003","16.928","0.001","12.721","0.0006","90","","101.44","0.002","90","","1643.19","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 B14 Cl2 Nb2 -","- C18 H34 B14 Cl2 Nb2 -","- C36 H68 B28 Cl4 Nb4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om0498504","","","","","","","0.0553","","","0.1304","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063051","12.053","0.002","21.327","0.004","15.706","0.003","90","","100.11","0.03","90","","3974.3","1.4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H61 Cl2 Li Mn N2 O2 -","- C37 H61 Cl2 Li Mn N2 O2 -","- C148 H244 Cl8 Li4 Mn4 N8 O8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049857l","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063052","22.921","0.005","14.8779","0.0015","16.291","0.002","90","","90.884","0.012","90","","5555.1","1.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 Cl Mn N2 -","- C29 H41 Cl Mn N2 -","- C232 H328 Cl8 Mn8 N16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049857l","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063053","17.32","0.03","15.21","0.017","23.3","0.03","90","","101.94","0.06","90","","6007","15","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 Mn2 N4 O4 -","- C62 H88 Mn2 N4 O4 -","- C248 H352 Mn8 N16 O16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049857l","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063054","11.218","0.004","12.606","0.01","28.93","0.02","90","","90","","90","","4092","5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 Cl2 Mn N4 -","- C40 H62 Cl2 Mn N4 -","- C160 H248 Cl8 Mn4 N16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049857l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063055","10.007","0.002","16.985","0.003","20.081","0.004","90","","90","","90","","3413.3","1.2","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 Mn N2 O -","- C38 H54 Mn N2 O -","- C152 H216 Mn4 N8 O4 -","4","1","","Chai, Jianfang; Zhu, Hongping; Roesky, Herbert W.; He, Cheng; Schmidt, Hans-Georg; Noltemeyer, Mathias","Synthesis, Structure, and Reactivity of β-Diketiminate Complexes of Manganese(II)","Organometallics","2004","23","13","3284","","10.1021/om049857l","","","","","","","","","","","","","","","","","","","","","has coordinates","275412","2022-05-13","09:30:07",""
"4063056","9.6294","0.0007","10.1484","0.0005","11.3224","","78.89","0.03","68.03","0.03","64.21","0.02","923.27","0.08","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 P2 Pd Pt Si2 -","- C36 H50 P2 Pd Pt Si2 -","- C36 H50 P2 Pd Pt Si2 -","1","0.5","","Tetsuyuki Yamada; Makoto Tanabe; Kohtaro Osakada; Yong-Joo Kim","Pd-Pt Heterobimetallic Complexes with Bridging Si-Ligands. Structure and Reaction with Isonitrile to Afford a Platinacyclopentane Containing Si, N, and C Atoms","Organometallics","2004","","","","","10.1021/om049858d","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063057","11.8945","0.0005","20.3726","0.0008","21.3757","0.0007","65.69","0.01","73.11","0.02","78.03","0.02","4494.1","0.3","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H65 P3 Pd Pt Si2 -","- C42 H66 P3 Pd Pt Si2 -","- C168 H264 P12 Pd4 Pt4 Si8 -","4","2","","Tetsuyuki Yamada; Makoto Tanabe; Kohtaro Osakada; Yong-Joo Kim","Pd-Pt Heterobimetallic Complexes with Bridging Si-Ligands. Structure and Reaction with Isonitrile to Afford a Platinacyclopentane Containing Si, N, and C Atoms","Organometallics","2004","","","","","10.1021/om049858d","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063058","11.787","0.003","12.124","0.003","17.936","0.006","73.2","0.02","81.52","0.02","58.98","0.01","2102.8","1","293.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C80 H110 N4 P2 Pt2 Si4 -","- C80 H110 N4 P2 Pt2 Si4 -","- C80 H110 N4 P2 Pt2 Si4 -","1","1","","Tetsuyuki Yamada; Makoto Tanabe; Kohtaro Osakada; Yong-Joo Kim","Pd-Pt Heterobimetallic Complexes with Bridging Si-Ligands. Structure and Reaction with Isonitrile to Afford a Platinacyclopentane Containing Si, N, and C Atoms","Organometallics","2004","","","","","10.1021/om049858d","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063059","19.222","0.005","11.727","0.002","22.376","0.005","90","","106.471","0.01","90","","4836.7","2","293.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 N2 P2 Pt2 Si2 -","- C46 H68 N2 P2 Pt2 Si2 -","- C184 H272 N8 P8 Pt8 Si8 -","4","0.5","","Tetsuyuki Yamada; Makoto Tanabe; Kohtaro Osakada; Yong-Joo Kim","Pd-Pt Heterobimetallic Complexes with Bridging Si-Ligands. Structure and Reaction with Isonitrile to Afford a Platinacyclopentane Containing Si, N, and C Atoms","Organometallics","2004","","","","","10.1021/om049858d","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063060","18.19","0.03","8.056","0.015","14.43","0.03","90","","102.4","0.03","90","","2065","7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.8 H22.6 Cl1.6 Fe N3 -","- C20.8 H22.6 Cl1.6 Fe N3 -","- C83.2 H90.4 Cl6.4 Fe4 N12 -","4","1","","Walter Figueroa; Mauricio Fuentealba; Carolina Manzur; David Carrilllo; Andrés Vega; Jean-Yves Saillard; Jean-Rene Hamon","","Organometallics","2004","","","","","10.1021/om0498605","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063061","8.852","0.002","13.087","0.003","14.642","0.004","90","","93.782","0.004","90","","1692.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H29 Al Cl N Si2 -","- C10 H29 Al Cl N Si2 -","- C40 H116 Al4 Cl4 N4 Si8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049861x","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063062","6.2541","0.0005","10.3327","0.0006","15.1307","0.0009","90","","90","","90","","977.77","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Al Cl2 N -","- C5 H14 Al Cl2 N -","- C20 H56 Al4 Cl8 N4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049861x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063063","12.893","0.003","13.297","0.003","15.071","0.003","68.66","0.03","69.74","0.03","79.88","0.03","2254.4","0.8","133","2","133","2","","","","","","","","6","P 1","P 1","1","","","","- C71 H131 N3 O15 Si6 Zn8 -","- C71 H131 N3 O15 Si6 Zn8 -","- C71 H131 N3 O15 Si6 Zn8 -","1","1","","","","Organometallics","2004","","","","","10.1021/om049863h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063064","14.512","0.003","15.663","0.003","28.867","0.006","96.43","0.03","100.64","0.03","114.54","0.03","5734","2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H166 N4 O17 Si8 Zn7 -","- C96 H166 N4 O17 Si8 Zn7 -","- C192 H332 N8 O34 Si16 Zn14 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049863h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063065","14.436","0.003","16.042","0.003","27.288","0.006","82.35","0.03","89.79","0.03","66.49","0.03","5735","2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H172 O17 Si8 Zn8 -","- C102 H172 O17 Si8 Zn8 -","- C204 H344 O34 Si16 Zn16 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049863h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063066","13.302","0.005","13.375","0.005","17.96","0.006","105.46","0.005","92.172","0.005","119.811","0.004","2616.1","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H0 N9 Y -","- C39 N9 Y -","- C78 N18 Y2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063067","8.803","0.004","30.028","0.012","9.573","0.004","90","","108.416","0.005","90","","2401","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 N3 Y -","- C23 H38 N3 Y -","- C92 H152 N12 Y4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063068","11.068","0.007","15.049","0.009","26.599","0.016","90","","90","","90","","4430","5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 N3 Yb -","- C21 H34 N3 Yb -","- C168 H272 N24 Yb8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063069","11.058","0.005","15.086","0.007","26.498","0.012","90","","90","","90","","4420","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Er N3 -","- C21 H34 Er N3 -","- C168 H272 Er8 N24 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063070","11.145","0.004","15.116","0.006","26.522","0.01","90","","90","","90","","4468","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Dy N3 -","- C21 H34 Dy N3 -","- C168 H272 Dy8 N24 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063071","9.072","0.0014","8.4415","0.0013","14.682","0.002","90","","98.6","0.002","90","","1111.8","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N3 Yb -","- C23 H30 N3 Yb -","- C46 H60 N6 Yb2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063072","8.1439","0.0008","10.3485","0.001","12.8178","0.0012","83.718","0.003","78.364","0.003","79.393","0.003","1037.03","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Fe2 N O2 -","- C24 H25 Fe2 N O2 -","- C48 H50 Fe4 N2 O4 -","2","1","","Albano, V. G.; Busetto, L.; Marchetti, F.; Monari, M.; Zacchini, S.; Zanotti, V.","Regio- and stereoselective hydride addition at η-vinyliminium ligands in cationic diiron complexes.","Organometallics","2004","23","13","3348","3354","10.1021/om049868e","","","","","","","","","","","","","","","","","","","","","has coordinates","132278","2020-10-21","18:00:00",""
"4063073","10.6352","0.0003","13.2769","0.0003","16.3383","0.0004","90","","94.627","0.001","90","","2299.49","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Fe2 N O4 -","- C26 H27 Fe2 N O4 -","- C104 H108 Fe8 N4 O16 -","4","1","","Albano, V. G.; Busetto, L.; Marchetti, F.; Monari, M.; Zacchini, S.; Zanotti, V.","Regio- and stereoselective hydride addition at η-vinyliminium ligands in cationic diiron complexes.","Organometallics","2004","23","13","3348","3354","10.1021/om049868e","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063074","12.704","0.001","18.858","0.001","17.219","0.001","90","","106.47","0.001","90","","3955.9","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 Cl P2 Pd Si2 -","- C42 H47 Cl P2 Pd Si2 -","- C168 H188 Cl4 P8 Pd4 Si8 -","4","1","","A. Moores; N. Mezailles; L. Ricard; Y. Jean; P. Le Floch","H2-Pd(II) and Pt(II) Complexes of a lambda4-Phosphinine anion: Syntheses, X-Ray Crystal Structures and DFT Calculations.","Organometallics","2004","","","","","10.1021/om049871y","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063075","12.676","0.001","18.929","0.001","17.206","0.001","90","","106.452","0.001","90","","3959.4","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 Cl P2 Pt Si2 -","- C42 H47 Cl P2 Pt Si2 -","- C168 H188 Cl4 P8 Pt4 Si8 -","4","1","","A. Moores; N. Mezailles; L. Ricard; Y. Jean; P. Le Floch","H2-Pd(II) and Pt(II) Complexes of a lambda4-Phosphinine anion: Syntheses, X-Ray Crystal Structures and DFT Calculations.","Organometallics","2004","","","","","10.1021/om049871y","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063076","11.3951","0.0011","12.6564","0.0011","14.1142","0.0011","83.967","0.003","71.381","0.004","69.055","0.003","1801.5","0.3","110","1","110","1","","","","","","","","4","P -1","-P 1","2","","","","- C43 H43 N3 Zr -","- C43 H43 N3 Zr -","- C86 H86 N6 Zr2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063077","15.3212","0.0003","13.2839","0.0003","22.0592","0.0004","90","","98.9295","0.0004","90","","4435.21","0.14","153","1","153","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 N3 Zr -","- C51 H59 N3 Zr -","- C204 H236 N12 Zr4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063078","12.1933","0.0006","15.452","0.0007","19.3799","0.0009","90","","108.181","0.001","90","","3469.1","0.3","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl6 N2 O Ru -","- C31 H36 Cl5.928 N2 O Ru -","- C124 H144 Cl23.712 N8 O4 Ru4 -","4","1","","Christian Slugovc; Bernhard Perner; Franz Stelzer; Kurt Mereiter","'2nd Generation' ruthenium carbene complexes with a cis-dichloro arrangement","Organometallics","2004","","","","","10.1021/om049877n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063079","8.934","0.0009","18.4841","0.0018","10.5116","0.001","90","","92.124","0.002","90","","1734.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 Si2 -","- C46 H38 Si2 -","- C92 H76 Si4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049878f","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063080","9.0316","0.0011","11.7209","0.0015","12.7278","0.0016","92.261","0.002","109.8","0.002","109.826","0.002","1174.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 N8 Si2 -","- C54 H46 N8 Si2 -","- C54 H46 N8 Si2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049878f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063081","15.5498","0.0008","12.7735","0.0007","24.8213","0.0013","90","","107.748","0.002","90","","4695.5","0.4","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H71 La N2 O P2 Si4 -","- C36 H71 La N2 O P2 Si4 -","- C144 H284 La4 N8 O4 P8 Si16 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498798","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063082","15.3084","0.0009","12.8699","0.0008","24.5159","0.0015","90","","106.471","0.002","90","","4631.9","0.5","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H69 La N2 O P2 Si4 -","- C35 H62 La N2 O P2 Si4 -","- C140 H248 La4 N8 O4 P8 Si16 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498798","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063083","11.0397","0.0004","46.0149","0.0015","9.6889","0.0003","90","","112.354","0.002","90","","4552","0.3","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H69 La N2 O P2 Si4 -","- C36 H69 La N2 O P2 Si4 -","- C144 H276 La4 N8 O4 P8 Si16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498798","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063084","33.1288","0.0013","11.2381","0.0004","45.825","0.0018","90","","105.607","0.002","90","","16431.8","1.1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C99 H176 B40 Cl6 Li2 O11 Si4 Yb4 -","- C98 H154 B40 Cl6 Li2 O11 Si4 Yb4 -","- C392 H616 B160 Cl24 Li8 O44 Si16 Yb16 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063085","9.9179","0.0005","14.9547","0.0008","21.076","0.001","69.874","0.001","84.992","0.001","78.388","0.001","2874.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H72 B20 Cl2 O3 Si2 Yb2 -","- C43 H72 B20 Cl2 O3 Si2 Yb2 -","- C86 H144 B40 Cl4 O6 Si4 Yb4 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063086","10.104","0.002","12.881","0.003","21.254","0.004","90.99","0.03","100.25","0.03","104.97","0.03","2623.8","0.9","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H74 B10 Cl Li N O4 Si Y -","- C42 H62 B10 Cl Li N O4 Si Y -","- C84 H124 B20 Cl2 Li2 N2 O8 Si2 Y2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063087","21.775","0.003","12.1548","0.0018","19.751","0.003","90","","100.715","0.003","90","","5136.4","1.3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C40 H70 B10 Cl Li N O4 Si Yb -","- C40 H70 B10 Cl Li N O4 Si Yb -","- C160 H280 B40 Cl4 Li4 N4 O16 Si4 Yb4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063088","9.3215","0.0004","13.5687","0.0006","23.3323","0.0011","90","","90","","90","","2951.1","0.2","293","2","293","2","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C36 H64 B20 Li O3 Si2 Sm -","- C36 H64 B20 Li O3 Si2 Sm -","- C72 H128 B40 Li2 O6 Si4 Sm2 -","2","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063089","10.181","0.01","21.06","0.04","33.39","0.06","90","","93.04","0.14","90","","7148","19","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H88 B20 Cl Li O6 Si2 Sm2 -","- C48 H86 B20 Cl Li O6 Si2 Sm2 -","- C192 H344 B80 Cl4 Li4 O24 Si8 Sm8 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063090","9.4018","0.0004","17.0468","0.0007","10.3502","0.0004","90","","99.615","0.001","90","","1635.53","0.12","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H46 B10 O4 Si Yb -","- C24 H44 B10 O4 Si Yb -","- C48 H88 B20 O8 Si2 Yb2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063091","15.9459","0.0005","19.129","0.0007","22.9692","0.0008","90","","90","","90","","7006.3","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C55 H96 B20 Li2 O6 Si2 Yb -","- C55 H96 B20 Li2 O6 Si2 Yb -","- C220 H384 B80 Li8 O24 Si8 Yb4 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063092","11.957","0.004","12.337","0.004","19.107","0.006","74.965","0.004","75.952","0.004","67.469","0.004","2481.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H58 O2 S2 Yb2 -","- C59 H50 O2 S2 Yb2 -","- C118 H100 O4 S4 Yb4 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063093","12.001","0.004","12.354","0.004","19.149","0.006","74.961","0.004","76.028","0.004","67.442","0.004","2499.9","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H58 Er2 O2 S2 -","- C59 H50 Er2 O2 S2 -","- C118 H100 Er4 O4 S4 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063094","10.696","0.004","28.129","0.009","15.256","0.005","90","","90.51","0.004","90","","4590","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H58 Er2 O3 S2 -","- C48 H50 Er2 O3 S2 -","- C192 H200 Er8 O12 S8 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063095","13.233","0.003","14.501","0.006","12.416","0.003","105.09","0.02","94.25","0.02","101.47","0.02","2234.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Ni(η^3^-CH~2~C(Me)CH~2~)(P^i^Pr~2~Ph)~2~[BPh~4~]","","","- C52 H65 B Ni P2 -","- C52 H65 B Ni P2 -","- C104 H130 B2 Ni2 P4 -","2","1","","Jimenez-Tenorio, Manuel; Puerta, M. Carmen; Salcedo, Isabel; Valerga, Pedro; Costa, Sandra I.; Silva, Leonel C.; Gomes, Pedro T.","Cationic Nickel Complexes Containing Bulky Phosphine Ligands: Catalyst Precursors for Styrene Polymerization","Organometallics","2004","23","13","3139","3146","10.1021/om049883j","","","","","","","","","","","","","","","","","","","","","has coordinates","133714","2020-10-21","18:00:00",""
"4063096","18.871","0.004","7.516","0.002","14.33","0.005","90","","90","","90","","2032.5","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","[NiBr~2~(PMe^i^Pr~2~)~2~]","","","- C14 H34 Br2 Ni P2 -","- C14 H34 Br2 Ni P2 -","- C56 H136 Br8 Ni4 P8 -","4","1","","Jimenez-Tenorio, Manuel; Puerta, M. Carmen; Salcedo, Isabel; Valerga, Pedro; Costa, Sandra I.; Silva, Leonel C.; Gomes, Pedro T.","Cationic Nickel Complexes Containing Bulky Phosphine Ligands: Catalyst Precursors for Styrene Polymerization","Organometallics","2004","23","13","3139","3146","10.1021/om049883j","","","","","","","","","","","","","","","","","","","","","has coordinates","133714","2020-10-21","18:00:00",""
"4063097","18.059","0.003","11.458","0.002","17.789","0.003","90","","115.86","0.01","90","","3312.3","1","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","[CpRu(CH3CN)(mue-S-t-Bu)2(CH3CN)RuCp](PF6)2","","","- C22 H34 F12 N2 P2 Ru2 S2 -","- C22 H34 F12 N2 P2 Ru2 S2 -","- C88 H136 F48 N8 P8 Ru8 S8 -","4","0.5","","Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner","Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands","Organometallics","2004","","","","","10.1021/om0498854","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178501","2020-10-21","18:00:00",""
"4063098","12.8205","0.0007","23.4042","0.0012","12.9987","0.0007","90","","108.287","0.001","90","","3703.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[CpRu(CH3CN)(mue-SPh)2(CH3CN)RuCp](PF6)2.solv","","","- C26 H26 F12 N2 P2 Ru2 S2 -","- C26 H26 F12 N2 P2 Ru2 S2 -","- C104 H104 F48 N8 P8 Ru8 S8 -","4","1","","Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner","Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands","Organometallics","2004","","","","","10.1021/om0498854","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063099","12.7952","0.0008","23.9486","0.0016","13.0281","0.0009","90","","107.436","0.002","90","","3808.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[CpRu(CH3CN)(mue-SePh)2(CH3CN)RuCp](PF6)2.solv","","","- C26 H26 F12 N2 P2 Ru2 Se2 -","- C26 H26 F12 N2 P2 Ru2 Se2 -","- C104 H104 F48 N8 P8 Ru8 Se8 -","4","1","","Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner","Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands","Organometallics","2004","","","","","10.1021/om0498854","","","","","","","","","","","","","","","","","","","","","has coordinates","178501","2020-10-21","18:00:00",""
"4063100","10.619","0.003","17.964","0.005","14.408","0.004","90","","100.74","0.01","90","","2700.3","1.3","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CpRu(mue3-pyS)2RuCp](PF6)2","","","- C20 H18 F12 N2 P2 Ru2 S2 -","- C20 H18 F12 N2 P2 Ru2 S2 -","- C80 H72 F48 N8 P8 Ru8 S8 -","4","1","","Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner","Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands","Organometallics","2004","","","","","10.1021/om0498854","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178526","2020-10-21","18:00:00",""
"4063101","10.9202","0.0006","12.6724","0.0006","13.63","0.0007","90","","104.5","0.001","90","","1826.11","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[CpRu(kappa2N,S-pyS)2]PF6","","","- C15 H13 F6 N2 P Ru S2 -","- C15 H13 F6 N2 P Ru S2 -","- C60 H52 F24 N8 P4 Ru4 S8 -","4","1","","Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner","Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands","Organometallics","2004","","","","","10.1021/om0498854","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063102","16.422","0.002","13.24","0.002","13.444","0.002","90","","90","","90","","2923.1","0.7","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[CpRuBr(mue-S-t-Bu)2BrRuCp].solv","","","- C18 H28 Br2 Ru2 S2 -","- C18 H28 Br2 Ru2 S2 -","- C72 H112 Br8 Ru8 S8 -","4","0.5","","Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner","Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands","Organometallics","2004","","","","","10.1021/om0498854","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063103","13.198","0.003","13.821","0.003","14.347","0.004","112.85","0.01","91.94","0.01","104.15","0.02","2314.1","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","[CpRu(mue-dppm)(mue-S)(mue-S-t-Bu)RuCp]PF6.2(CH3)2CO","","","- C45 H53 F6 O2 P3 Ru2 S2 -","- C45 H53 F6 O2 P3 Ru2 S2 -","- C90 H106 F12 O4 P6 Ru4 S4 -","2","1","","Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner","Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands","Organometallics","2004","","","","","10.1021/om0498854","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063104","9.8373","0.0011","9.8373","0.0011","16.029","0.004","90","","90","","120","","1343.4","0.4","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","sym-[CpRu(mue-S-t-Bu)3RuCp]PF6","","","- C22 H37 F6 P Ru2 S3 -","- C21.9 H36.9 F6.1 P Ru2 S3 -","- C43.8 H73.8 F12.2 P2 Ru4 S6 -","2","0.166667","","Eva Becker; Kurt Mereiter; Roland Schmid; Karl Kirchner","Facile S-S Bond Activation of Alkyl and Aryl Disulfides by [RuCp(CH3CN)3]+ - Formation of Dinuclear Ru(III)-Ru(III) Complexes with Bridging Thiolate Ligands","Organometallics","2004","","","","","10.1021/om0498854","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063105","8.536","0.002","10.612","0.003","18.575","0.005","90.78","0.03","101.44","0.03","96.11","0.03","1638.6","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H50 Li2 N4 S2 -","- C28 H50 Li2 N4 S2 -","- C56 H100 Li4 N8 S4 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049886w","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063106","13.382","0.005","8.615","0.004","18.031","0.006","90","","103.36","0.03","90","","2022.5","1.4","198","2","198","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H66 Li2 N6 S2 -","- C34 H66 Li2 N6 S2 -","- C68 H132 Li4 N12 S4 -","2","0.5","","","","Organometallics","2004","","","","","10.1021/om049886w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178526","2020-10-21","18:00:00",""
"4063107","18.5222","0.0008","32.877","0.002","9.9178","0.0004","90","","90","","90","","6039.5","0.5","298","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H28 Cl N P2 Pd -","- C36 H28 Cl N P2 Pd -","- C288 H224 Cl8 N8 P16 Pd8 -","8","0.5","","","","Organometallics","2004","","","","","10.1021/om049888g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063108","20.7367","0.0002","30.4055","0.0003","12.5622","0.0001","90","","90","","90","","7920.59","0.13","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C72 H92 Cl O6 P2 Rh -","- C72 H92 Cl O6 P2 Rh -","- C288 H368 Cl4 O24 P8 Rh4 -","4","0.5","","J. I. van der Vlugt; R. Sablong; P. C. M. M. Magusin; A. M. Mills; A. L. Spek; D. Vogt","Rhodium Complexes of Sterically Demanding Diphosphonites: Coordination Chemistry and Catalysis","Organometallics","2004","23","","3177","","10.1021/om0498899","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063109","9.2494","0.0016","11.382","0.002","13.529","0.002","96.572","0.004","108.198","0.004","90.485","0.004","1342.8","0.4","101","2","101","2","","","","","","","","9","P 1","P 1","1","[PdCl(PCP)]PF6","","","- C52.37 H46 Cl3.75 F6 Fe2 N2 O0 P3 Pd -","- C52.379 H46 Cl3.752 F6 Fe2 N2 P3 Pd -","- C52.379 H46 Cl3.752 F6 Fe2 N2 P3 Pd -","1","1","","","","Organometallics","2004","","","","","10.1021/om049893k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063110","11.5599","0.0014","24.807","0.003","18.429","0.002","90","","96.331","0.003","90","","5252.7","1.1","101","2","101","2","","","","","","","","9","P 1 21 1","P 2yb","4","[RuClI(PCP)]","","","- C53 H51 Cl2 Fe2 I N2 O0.5 P2 Ru -","- C53 H51 Cl2 Fe2 I N2 O0.5 P2 Ru -","- C212 H204 Cl8 Fe8 I4 N8 O2 P8 Ru4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049893k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063111","17.949","0.007","8.668","0.002","20.85","0.004","90","","90","","90","","3243.9","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Fe N2 Si2 -","- C32 H52 Fe N2 Si2 -","- C128 H208 Fe4 N8 Si8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063112","20.706","0.004","18.326","0.003","8.849","0.004","90","","90","","90","","3357.8","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Co N2 Si2 -","- C32 H52 Co N2 Si2 -","- C128 H208 Co4 N8 Si8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063113","20.69","0.003","18.295","0.002","8.856","0.001","90","","90","","90","","3352.2","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H52 N2 Ni Si2 -","- C32 H52 N2 Ni Si2 -","- C128 H208 N8 Ni4 Si8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","0.058","","","0.1225","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063114","11.919","0.007","16.414","0.013","17.285","0.009","90","","91.55","0.05","90","","3380.4","3.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 N2 Ni Si4 -","- C28 H48 N2 Ni Si4 -","- C112 H192 N8 Ni4 Si16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","0.0605","","","0.1547","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063115","15.865","0.001","11.671","0.002","17.936","0.002","90","","91.02","0.01","90","","3320.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Fe N2 Si4 -","- C24 H56 Fe N2 Si4 -","- C96 H224 Fe4 N8 Si16 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063116","9.152","0.005","9.982","0.008","10.99","0.01","75.39","0.08","73.74","0.07","66.1","0.05","870.1","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Fe N2 Si2 -","- C38 H52 Fe N2 Si2 -","- C38 H52 Fe N2 Si2 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063117","15.1448","0.0006","10.6146","0.0004","18.156","0.0007","90","","90.1409","0.0011","90","","2918.7","0.2","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C160 H128 N16 -","8","2","","","","Organometallics","2004","","","","","10.1021/om049897p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4063118","9.4118","0.0014","23.389","0.003","22.874","0.002","90","","90","","90","","5035.4","1.1","117","2","117","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C63 H58 N6 Zr -","- C63 H50 N6 Zr -","- C252 H200 N24 Zr4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049897p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063119","9.4967","0.0002","26.4826","0.0007","21.1702","0.0005","90","","90.2338","0.0011","90","","5324.2","0.2","117","2","117","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H62 N6 Zr -","- C68 H62 N6 Zr -","- C272 H248 N24 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049897p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063120","10.6273","0.0013","25.61","0.003","20.686","0.003","90","","99.438","0.003","90","","5553.7","1.2","114","2","114","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72.5 H62 N6 Zr -","- C72.5 H61.5 N6 Zr -","- C290 H246 N24 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049897p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063121","13.218","0.003","13.844","0.004","14.138","0.003","64.015","0.006","83.626","0.008","80.516","0.006","2291.4","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 I2 N4 Zr -","- C58 H44 I2 N4 Zr -","- C116 H88 I4 N8 Zr2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049897p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063122","20.6759","0.0017","7.0553","0.0006","29.289","0.002","90","","105.188","","90","","4123.4","0.6","115","2","115","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H46 N4 Zn -","- C54 H30 N4 Zn -","- C216 H120 N16 Zn4 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063123","10.068","0.002","12.804","0.003","15.302","0.003","100.87","0.04","105.8","0.06","98.45","0.02","1822.6","0.6","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 Cr Si -","- C20 H30 Cr Si -","- C80 H120 Cr4 Si4 -","4","2","","","","Organometallics","2004","","","","","10.1021/om049901x","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063124","10.002","0.002","12.855","0.003","19.902","0.004","90","","90","","90","","2558.9","0.9","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cr N Si -","- C29 H39 Cr N Si -","- C116 H156 Cr4 N4 Si4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049901x","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063125","10.761","0.006","11.709","0.006","11.885","0.005","108.78","0.04","102.63","0.05","114.25","0.04","1181.1","1","233","","233","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 Cr N6 -","- C54 H54 Cr N6 -","- C54 H54 Cr N6 -","1","0.5","","","","Organometallics","2004","","","","","10.1021/om049901x","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063126","16.4868","0.0003","12.5071","0.0002","14.4568","0.0002","90","","91.503","0.001","90","","2980","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 O Si2 Y -","- C32 H45 O Si2 Y -","- C128 H180 O4 Si8 Y4 -","4","1","","J.-F. Carpentier; C.W. Lehmann","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063127","9.7437","0.0001","13.8585","0.0002","15.802","0.0002","91.37","","106.62","0.001","92.724","0.001","2040.77","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H57 O2 Y2 -","- C53 H54 O2 Y2 -","- C106 H108 O4 Y4 -","2","1","","Carpentier; Lehmann","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4063128","9.214","0.0004","12.6316","0.0006","17.4376","0.0009","91.405","0.003","104.014","0.003","90.455","0.002","1968.32","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H44 Br2 Y2 -","- C49 H44 Br2 Y2 -","- C98 H88 Br4 Y4 -","2","1","","J.F. Carpentier; C.W. Lehmann","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063129","8.2157","0.0017","24.889","0.006","10.073","0.002","90","","111.59","0.006","90","","1915.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Mg N2 -","- C18 H30 Mg N2 -","- C72 H120 Mg4 N8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049906u","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063130","11.1629","0.0011","18.443","0.0015","14.1747","0.0013","90","","106.767","0.001","90","","2794.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Mg N3 -","- C27 H43 Mg N3 -","- C108 H172 Mg4 N12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049906u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178526","2020-10-21","18:00:00",""
"4063131","12.9868","0.0011","14.5428","0.0011","13.5617","0.0012","90","","90","","90","","2561.3","0.4","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H39 Mg N3 -","- C25 H39 Mg N3 -","- C100 H156 Mg4 N12 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049906u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063132","10.0152","0.001","17.6667","0.0014","15.9167","0.0015","90","","90.381","0.002","90","","2816.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H50 Mg N4 -","- C26 H50 Mg N4 -","- C104 H200 Mg4 N16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049906u","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063133","10.931","0.003","18.117","0.005","12.223","0.003","90","","92.494","0.007","90","","2418.4","1.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Mg N4 -","- C22 H42 Mg N4 -","- C88 H168 Mg4 N16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049906u","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063134","11.3438","0.0002","15.0766","0.0004","17.6375","0.0004","90","","94.56","0.001","90","","3006.92","0.12","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 Cl2 Co N2 O10 Si2 -","- C21 H38 Cl2 Co N2 O10 Si2 -","- C84 H152 Cl8 Co4 N8 O40 Si8 -","4","1","","Schaefer, Carsten; Gleiter, Rolf; Rominger, Frank","Isolation of Di(η^2^-nitrato)(η^4^-cyclobutadiene)cobalt(II) complexes From the oxidation of sterically hindered CpCo-stabilized cyclobutadiene complexes","Organometallics","2004","","","","","10.1021/om049907m","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063135","11.3967","0.0011","11.8302","0.0011","17.0171","0.0016","77.332","0.002","82.031","0.003","69.808","0.002","2095.9","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Cl4 Fe2 N4 Pd2 -","- C36 H56 Cl4 Fe2 N4 Pd2 -","- C72 H112 Cl8 Fe4 N8 Pd4 -","2","1","","Weng, Zhiqiang; Teo, Shihui; Koh, Lip Lin; Hor, T. S. Andy","Crystallographic Characterization of a Palladium(II) Metallamacrocycle Supported by an Amino-Functionalized Ferrocene and Its Use as an Efficient Suzuki-Coupling Catalyst","Organometallics","2004","23","15","3603","3609","10.1021/om049911y","","","","","","","","","","","","","","","","","","","","","has coordinates","209871","2020-10-21","18:00:00",""
"4063136","29.228","0.005","6.0861","0.001","14.356","0.002","90","","112.638","0.004","90","","2356.8","0.7","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 F12 Fe N2 P2 -","- C18 H30 F12 Fe N2 P2 -","- C72 H120 F48 Fe4 N8 P8 -","4","0.5","","Weng, Zhiqiang; Teo, Shihui; Koh, Lip Lin; Hor, T. S. Andy","Crystallographic Characterization of a Palladium(II) Metallamacrocycle Supported by an Amino-Functionalized Ferrocene and Its Use as an Efficient Suzuki-Coupling Catalyst","Organometallics","2004","23","15","3603","3609","10.1021/om049911y","","","","","","","","","","","","","","","","","","","","","has coordinates","209871","2020-10-21","18:00:00",""
"4063137","9.554","0.0002","12.633","0.0003","11.164","0.0002","90","","111.399","0.0013","90","","1254.56","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 F N Sn -","- C11 H18 F N Sn -","- C44 H72 F4 N4 Sn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049912q","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063138","12.325","0.0002","8.12","0.0001","19.411","0.0003","90","","102.868","0.0007","90","","1893.85","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F N Sn -","- C21 H22 F N Sn -","- C84 H88 F4 N4 Sn4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049912q","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063139","13.05","0.002","8.9621","0.001","18.093","0.003","90","","133.058","0.008","90","","1546.1","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O3 Pt -","- C18 H22 O3 Pt -","- C72 H88 O12 Pt4 -","4","1","","Sprengers, Jeroen W.; Agerbeek, Melvin J.; Elsevier, Cornelis J.; Kooijman, Huub; Spek, Anthony L.","Synthesis and Crystal Structures of Zerovalent Platinum η2-Fumarate Bis(norbornene) Complexes and Their Application as Hydrosilylation Catalysts","Organometallics","2004","23","13","3117","3125","10.1021/om049913i","","","","","","","","","","","","","","","","","","","","","has coordinates","209880","2020-10-21","18:00:00",""
"4063140","21.34","0.005","7.7477","0.001","15.75","0.003","90","","102.461","0.018","90","","2542.7","0.9","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 O4 Pt -","- C30 H32 O4 Pt -","- C120 H128 O16 Pt4 -","4","0.5","","Sprengers, Jeroen W.; Agerbeek, Melvin J.; Elsevier, Cornelis J.; Kooijman, Huub; Spek, Anthony L.","Synthesis and Crystal Structures of Zerovalent Platinum η2-Fumarate Bis(norbornene) Complexes and Their Application as Hydrosilylation Catalysts","Organometallics","2004","23","13","3117","3125","10.1021/om049913i","","","","","","","","","","","","","","","","","","","","","has coordinates","209880","2020-10-21","18:00:00",""
"4063141","12.548","0.003","14.59","0.003","11.14","0.002","107.23","0.01","111.85","0.01","70.55","0.02","1750.1","0.7","223.2","","223.2","","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H41 F6 O3.5 P2 Ru -","- C36.5 H41 F6 O3.5 P2 Ru -","- C73 H82 F12 O7 P4 Ru2 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063142","9.055","0.002","21.448","0.002","16.176","0.001","90","","91.865","0.009","90","","3140.1","0.5","203.2","","203.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 F6 Ir N4 O6 S2 -","- C23 H33 F6 Ir N4 O6 S2 -","- C92 H132 F24 Ir4 N16 O24 S8 -","4","1","","Fumihiro Hanasaka; Ken-ichi Fujita; Ryohei Yamaguchi","","Organometallics","2004","","","","","10.1021/om049918f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063143","9.7224","0.0017","12.734","0.002","20.337","0.004","83.645","0.003","81.83","0.004","79.433","0.003","2440.7","0.7","91","2","91","2","","","","","","","","4","P -1","-P 1","2","Ge~5~[CH(SiMe~3~)~2~]~4~","","","- C28 H76 Ge5 Si8 -","- C28 H76 Ge5 Si8 -","- C56 H152 Ge10 Si16 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049921z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063144","14.6845","0.0016","23.524","0.003","27.959","0.003","90","","90","","90","","9658.1","1.9","91","2","91","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","Ge5[Jeff*]4.3toluene","","","- C117 H124 Ge5 -","- C117 H124 Ge5 -","- C468 H496 Ge20 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049921z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063145","12.0961","0.0001","16.2988","0.0001","16.5371","0.0002","90","","90","","90","","3260.32","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 Fe2 O3 S2 -","- C35 H40 Fe2 O3 S2 -","- C140 H160 Fe8 O12 S8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049924b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063146","14.872","0.0001","23.0986","0.0002","7.9391","0.0001","90","","90","","90","","2727.26","0.05","297","2","297","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H31 Fe2 O2 S2 -","- C31 H31 Fe2 O2 S2 -","- C124 H124 Fe8 O8 S8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049924b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063147","15.927","0.003","10.559","0.0017","7.1439","0.001","90","","90","","90","","1201.4","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Cl2 F2 Ti -","- C12 H10 Cl2 F2 Ti -","- C48 H40 Cl8 F8 Ti4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0499254","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063148","12.1509","0.0001","18.2072","0.0002","20.6679","0.0002","90","","96.99","0.001","90","","4538.45","0.08","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H60 F N O12 Si8 -","- C32 H60 F N O12 Si8 -","- C128 H240 F4 N4 O48 Si32 -","4","1","","Peter G Taylor; David J Parker; Manuel Pourny; Peter N Horton; Michael B Hursthouse; Alan R Bassindale","","Organometallics","2004","","","","","10.1021/om049928g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178526","2020-10-21","18:00:00",""
"4063149","12.6476","0.0001","12.6476","0.0001","22.6513","0.0006","90","","90","","90","","3623.34","0.1","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H92 F N O12 Si8 -","- C72 H92 F N O12 Si8 -","- C144 H184 F2 N2 O24 Si16 -","2","0.25","","Peter G Taylor; David J Parker; Manuel Pourny; Peter N Horton; Michael B Hursthouse; Alan R Bassindale","","Organometallics","2004","","","","","10.1021/om049928g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063150","9.5899","0.0013","23.745","0.003","9.6281","0.0013","90","","115.665","0.002","90","","1976.1","0.5","93","2","366","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H31 N3 O3 Si2 -","- C15 H31 N3 O3 Si2 -","- C60 H124 N12 O12 Si8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0499299","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063151","13.9806","0.0017","15.5986","0.0019","22.644","0.003","90","","90","","90","","4938.1","1","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C18 H35 N3 O4 Si2 -","- C18 H35 N3 O4 Si2 -","- C144 H280 N24 O32 Si16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0499299","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063152","8.5541","0.0017","34.531","0.007","9.798","0.002","90","","112.53","0.03","90","","2673.2","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H66 N8 O6 Si4 -","- C52 H66 N8 O6 Si4 -","- C104 H132 N16 O12 Si8 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0499299","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063153","24.866","0.004","13.099","0.002","16.06","0.003","90","","122.575","0.003","90","","4407.9","1.3","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C88 H94 O16 Si8 -","- C88 H94 O16 Si8 -","- C176 H188 O32 Si16 -","2","0.25","","Tsutsui, Shinobu; Sakamoto, Kenkichi","Preparation, Structures, and Theoretical Calculations of Novel Silacalixarene Derivatives: Silacalix[4]quinone and Silacalix[4]hydroquinone Octamethyl Ether","Organometallics","2004","","","","","10.1021/om0499310","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063154","11.569","0.011","16.408","0.016","23.63","0.02","90","","103.093","0.017","90","","4369","8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 O8 Si4 -","- C40 H56 O8 Si4 -","- C160 H224 O32 Si16 -","4","1","","Tsutsui, Shinobu; Sakamoto, Kenkichi","Preparation, Structures, and Theoretical Calculations of Novel Silacalixarene Derivatives: Silacalix[4]quinone and Silacalix[4]hydroquinone Octamethyl Ether","Organometallics","2004","","","","","10.1021/om0499310","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063155","6.786","0.0009","11.7022","0.0015","17.048","0.002","90","","99.913","0.002","90","","1333.6","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O4 Si -","- C14 H12 O4 Si -","- C56 H48 O16 Si4 -","4","1","","Tsutsui, Shinobu; Sakamoto, Kenkichi","Preparation, Structures, and Theoretical Calculations of Novel Silacalixarene Derivatives: Silacalix[4]quinone and Silacalix[4]hydroquinone Octamethyl Ether","Organometallics","2004","","","","","10.1021/om0499310","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063156","9.5799","0.0004","9.8987","0.0005","17.4468","0.0008","99.185","0.001","98.943","0.001","111.086","0.001","1482.62","0.12","90","","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H55 N4 Si2 Y -","- C22 H55 N4 Si2 Y -","- C44 H110 N8 Si4 Y2 -","2","1","","Meetsma, Auke","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063157","14.7891","0.0006","9.4573","0.0004","19.2445","0.0008","90","","91.167","0.001","90","","2691.07","0.19","95","","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H48 N5 Si Y -","- C23 H48 N5 Si Y -","- C92 H192 N20 Si4 Y4 -","4","1","","Meetsma, Auke","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063158","25.544","0.001","18.742","0.0008","27.641","0.001","90","","90","","90","","13233.4","0.9","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H39 Mo N3 Si2 -","- C34 H39 Mo N3 Si2 -","- C544 H624 Mo16 N48 Si32 -","16","2","","","","Organometallics","2004","","","","","10.1021/om049942t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063159","14.115","0.002","17.175","0.002","21.18","0.003","68.09","0.004","89.88","0.005","88.499","0.005","4761.9","1.1","118","2","118","2","","","","","","","","9","P -1","-P 1","2","","","","- C39 H62 Ge N2 O P2 Pd S Si4 -","- C39 H62 Ge N2 O P2 Pd S Si4 -","- C156 H248 Ge4 N8 O4 P8 Pd4 S4 Si16 -","4","2","","Zuzanna T. Cygan; Jeff W. Kampf; Mark M. Banaszak Holl","Sequential Insertion of Formaldehyde and Carbon Monoxide into a Sulfide Bridged Pd-Ge Bond and Reductive Elimination to Give a Unique Organic Heterocycle","Organometallics","2004","","","","","10.1021/om049944d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063160","8.1708","0.0003","7.4691","0.0002","25.9547","0.0008","90","","97.517","0.002","90","","1570.36","0.09","143","2","143","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","9-indenyl anthracene","","","- C23 H16 -","- C23 H16 -","- C92 H64 -","4","1","","L. E. Harrington; L. S. Cahill; M. J. McGlinchey","","Organometallics","2004","","","","","10.1021/om0499456","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063161","9.4874","0.0014","16.312","0.002","25.114","0.005","90","","100.711","0.008","90","","3818.9","1","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","9-indenyl triptycene","","","- C29 H20 -","- C29 H20 -","- C232 H160 -","8","2","","L. E. Harrington; L. S. Cahill; M. J. McGlinchey","","Organometallics","2004","","","","","10.1021/om0499456","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063162","9.242","0.003","11.356","0.003","14.531","0.004","107.468","0.006","95.565","0.007","93.49","0.006","1441.2","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","9-indenyl triptycene chromium carbonyl","","","- C38 H26 Cr O3 -","- C38 H26 Cr O3 -","- C76 H52 Cr2 O6 -","2","1","","L. E. Harrington; L. S. Cahill; M. J. McGlinchey","","Organometallics","2004","","","","","10.1021/om0499456","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063163","10.7186","0.0013","15.0943","0.0019","15.4843","0.0019","72.521","0.002","83.208","0.002","78.718","0.002","2338.6","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H68 B2 F8 Ir2 N4 O P2 -","- C39 H68 B2 F8 Ir2 N4 O P2 -","- C78 H136 B4 F16 Ir4 N8 O2 P4 -","2","1","","Navarro, Janeth; Sola, Eduardo; Martín, Marta; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.","C–H Activation and C–C Coupling Reactions in 2-Vinylpyridine Cationic Complexes of Iridium","Organometallics","2004","23","8","1908","1917","10.1021/om049953m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063164","13.4686","0.0008","14.3097","0.0009","14.8785","0.0009","72.965","0.001","88.621","0.001","85.814","0.001","2734.4","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H38 B F4 Ir N3 P -","- C25 H38 B F4 Ir N3 P -","- C100 H152 B4 F16 Ir4 N12 P4 -","4","2","","Navarro, Janeth; Sola, Eduardo; Martín, Marta; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.","C–H Activation and C–C Coupling Reactions in 2-Vinylpyridine Cationic Complexes of Iridium","Organometallics","2004","23","8","1908","1917","10.1021/om049953m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063165","16.319","0.012","15.033","0.011","16.734","0.012","90","","99.54","0.012","90","","4049","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H47 B Cl3 F4 Ir N3 P -","- C35.5 H47 B Cl3 F4 Ir N3 P -","- C142 H188 B4 Cl12 F16 Ir4 N12 P4 -","4","1","","Navarro, Janeth; Sola, Eduardo; Martín, Marta; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.","C‒H Activation and C‒C Coupling Reactions in 2-Vinylpyridine Cationic Complexes of Iridium","Organometallics","2004","23","8","1908","1917","10.1021/om049953m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209908","2020-10-21","18:00:00",""
"4063166","9.6171","0.0013","9.6574","0.0013","16.812","0.002","84.807","0.002","83.979","0.002","89.197","0.002","1546.4","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H45 B F4 Ir N2 P -","- C29 H45 B F4 Ir N2 P -","- C58 H90 B2 F8 Ir2 N4 P2 -","2","1","","Navarro, Janeth; Sola, Eduardo; Martín, Marta; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.","C–H Activation and C–C Coupling Reactions in 2-Vinylpyridine Cationic Complexes of Iridium","Organometallics","2004","23","8","1908","1917","10.1021/om049953m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4063167","19.652","0.003","18.294","0.002","11.9262","0.0017","90","","120.552","0.01","90","","3692.4","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H50 B2 K2 N8 O2 -","- C34 H50 B2 K2 N8 O2 -","- C136 H200 B8 K8 N32 O8 -","4","0.5","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063168","13.7072","0.0018","14.255","0.002","19.55","0.003","96.557","0.011","107.462","0.01","113.098","0.01","3232.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H80 B4 Li4 N18 O3 -","- C59 H80 B4 Li4 N18 O3 -","- C118 H160 B8 Li8 N36 O6 -","2","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063169","6.276","0.003","10.223","0.005","9.694","0.005","90","","100.407","0.012","90","","611.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","isonicotinoyl pentaerythritol phosphite","","","- C11 H12 N O5 P -","- C11 H12 N O5 P -","- C22 H24 N2 O10 P2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om049957r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063170","15.0246","0.0015","12.0315","0.001","32.234","0.003","90","","92.179","0.005","90","","5822.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(MeCp)Mn(CO)~2~]~2~(dipentaerythritol diphosphite)","","","- C26 H30 Mn2 O11 P2 -","- C26 H30 Mn2 O11 P2 -","- C208 H240 Mn16 O88 P16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049957r","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063171","10.192","0.003","16.512","0.005","10.833","0.003","90","","99.621","0.009","90","","1797.4","0.9","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuBr(dipentaerythritol diphosphite)]-acetonitrile","","","- C12 H19 Br Cu N O7 P2 -","- C12 H19 Br Cu N O7 P2 -","- C48 H76 Br4 Cu4 N4 O28 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049957r","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063172","13.8721","0.0006","8.3612","0.0003","15.1509","0.0006","90","","101.035","0.001","90","","1724.82","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H30 B2 Ir P -","- C13 H30 B2 Ir P -","- C52 H120 B8 Ir4 P4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063173","13.3097","0.0007","20.8741","0.001","8.5511","0.0004","90","","98.543","0.001","90","","2349.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 B2 Ir P -","- C23 H34 B2 Ir P -","- C92 H136 B8 Ir4 P4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063174","13.4635","0.0008","9.4005","0.0006","14.0187","0.0009","90","","114.128","0.001","90","","1619.25","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 B2 Ir N -","- C15 H26 B2 Ir N -","- C60 H104 B8 Ir4 N4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063175","9.4317","0.0005","13.4815","0.0006","12.5332","0.0006","90","","99.538","0.001","90","","1571.61","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 B4 Br2 Ir -","- C10 H23 B4 Br2 Ir -","- C40 H92 B16 Br8 Ir4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063176","11.9854","0.0015","20.481","0.003","18.536","0.002","90","","108.381","0.002","90","","4318","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 N2 Ni P -","- C47 H56 N2 Ni P -","- C188 H224 N8 Ni4 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0499658","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063177","9.252","0.002","9.611","0.002","21.215","0.005","84.184","0.003","80.258","0.003","69.734","0.003","1742.2","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H44 N Ni O P -","- C41 H44 N Ni O P -","- C82 H88 N2 Ni2 O2 P2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0499658","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063178","8.7839","0.0016","9.7859","0.0018","22.642","0.004","98.765","0.002","97.512","0.003","103.571","0.002","1841.5","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 N Ni O P -","- C44 H44 N Ni O P -","- C88 H88 N2 Ni2 O2 P2 -","2","1","","","","Organometallics","2004","","","","","10.1021/om0499658","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063179","29.11","0.003","14.188","0.002","11.25","0.001","90","","98.222","0.002","90","","4598.6","0.8","158.2","","158.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H37 Fe N O P4 -","- C16.5 H37 Fe N O P4 -","- C132 H296 Fe8 N8 O8 P32 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0499660","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063180","9.5433","0.0003","12.2238","0.0004","16.8938","0.0005","90","","91.736","0.002","90","","1969.8","0.1","154.2","","154.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H35 Fe N P4 -","- C12 H35 Fe N P4 -","- C48 H140 Fe4 N4 P16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0499660","","","","","","","","","","","","","","","","","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063181","9.103","0.001","25.854","0.003","9.764","0.001","90","","115.956","0.001","90","","2066.1","0.4","181.2","","181.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Fe N O2 P4 -","- C12 H39 Fe N O2 P4 -","- C48 H156 Fe4 N4 O8 P16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0499660","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063182","11.605","0.0002","13.217","0.0002","14.646","0.0003","114.999","0.0006","98.716","0.0006","94.798","0.0012","1984.95","0.06","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H49 Cl4 N2 O2.5 Ta -","- C41 H39 Cl4 N2 O2.5 Ta -","- C82 H78 Cl8 N4 O5 Ta2 -","2","1","","Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev","Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths","Organometallics","2004","23","8","1880","1890","10.1021/om0499761","","","","","","","","","","","","","","","","","","","","","has coordinates","133796","2020-10-21","18:00:00",""
"4063183","12.148","0.0003","12.578","0.0003","23.235","0.0007","90","","94.79","0.0011","90","","3537.85","0.16","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N O2 Ta -","- C42 H48 N O2 Ta -","- C168 H192 N4 O8 Ta4 -","4","1","","Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev","Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths","Organometallics","2004","23","8","1880","1890","10.1021/om0499761","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4063184","8.291","0.0003","13.058","0.0004","17.22","0.0007","90.442","0.0013","98.517","0.0015","94.348","0.003","1838.1","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H70 N2 O2 Ta -","- C36 H38 N2 O2 Ta -","- C72 H76 N4 O4 Ta2 -","2","1","","Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev","Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths","Organometallics","2004","23","8","1880","1890","10.1021/om0499761","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133796","2020-10-21","18:00:00",""
"4063185","10.96","0.0001","14.173","0.0002","23.548","0.0003","90","","92.136","0.0005","90","","3655.31","0.08","106","2","106","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Cl4 N2 O2 Ta -","- C39 H39 Cl4 N2 O2 Ta -","- C156 H156 Cl16 N8 O8 Ta4 -","4","1","","Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev","Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths","Organometallics","2004","23","8","1880","1890","10.1021/om0499761","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4063186","15.833","0.0003","10.667","0.0002","19.879","0.0004","90","","100.676","0.0011","90","","3299.26","0.11","110","2","110","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H42 N O3.5 Ta -","- C37 H40 N O3.5 Ta -","- C148 H160 N4 O14 Ta4 -","4","1","","Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev","Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs. Ligand-β-Abstraction Paths","Organometallics","2004","23","8","1880","1890","10.1021/om0499761","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4063187","14.019","0.0002","17.116","0.0003","17.743","0.0003","90","","94.011","0.0008","90","","4246.99","0.12","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 N2 O2 Ta -","- C47 H67 N2 O2 Ta -","- C188 H268 N8 O8 Ta4 -","4","1","","Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev","Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths","Organometallics","2004","23","8","1880","1890","10.1021/om0499761","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4063188","17.514","0.003","15.102","0.003","21.434","0.004","90","","99.355","0.004","90","","5594","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co3(dpa)4(fac)2 . 0.5acetonitrile","","","- C65 H51.5 Co3 Fe2 N12.5 -","- C65 H50 Co3 Fe2 N12.5 -","- C260 H200 Co12 Fe8 N50 -","4","1","","John F. Berry; F. Albert Cotton; Carlos A. Murillo","A Trinuclear EMAC-type Molecular Wire with Redox Active Ferrocenylacetylide ""Alligator Clips"" Attached","Organometallics","2004","","","","","10.1021/om049979d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076228","18.584","0.0006","7.9942","0.0003","32.5174","0.001","90","","101.994","0.001","90","","4725.5","0.3","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H36 F6 P2 Ru -","- C22 H36 F6 P2 Ru -","- C176 H288 F48 P16 Ru8 -","8","1","","Umezawa-Vizzini, Kayo; Lee, T. Randall","Reversible Olefin−Hydride Insertion in the Cationic Ruthenium Complexes [(η6-C6H5CH2CH2PR2)RuH(CH2CH2)]+","Organometallics","2004","23","6","1448","","10.1021/om0301987","","","0.71073","MoKα","","0.0284","0.0204","","","0.0524","0.0749","","","","","","1.39","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076229","13.8709","0.0002","12.2732","0.0001","18.7458","0.0003","90","0.001","99.857","0.001","90","0.001","3144.18","0.07","172.2","","172.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl2 N Ta -","- C34.001 H40 Cl2 N Ta -","- C136.004 H160 Cl8 N4 Ta4 -","4","1","","Gavenonis, John; Tilley, T. Don","Synthesis and Reactivity of Alkyl, Hydride, and Silyl Derivatives of the (Terphenyl)imido Fragments Cp*(ArMesN)Ta (Cp* = η5-C5Me5; ArMes= 2,6-(2,4,6-Me3C6H2)2C6H3) and Cp*(ArTripN)Ta (ArTrip= 2,6-(2,4,6-iPr3C6H2)2C6H3)","Organometallics","2004","23","1","31","","10.1021/om030567z","","","0.7107","MoKα","","0.0395","0.0239","","0.0342","0.0313","0.0313","","","","","","1.214","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076230","19.3385","0.0009","17.3924","0.0008","26.0465","0.0012","90","","100.329","0.001","90","","8618.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound (2).solv","[Ru2(CO)4(mue-H)(mue-PBu^t^2)(mue-dppm)(mue-eta2-ONNO)].solv","","- C37 H41 N2 O6 P3 Ru2 -","- C37 H41 Cl0 N2 O6 P3 Ru2 -","- C296 H328 Cl0 N16 O48 P24 Ru16 -","8","2","","Böttcher, Hans-Christian; Graf, Marion; Mereiter, Kurt; Kirchner, Karl","Reductive Dimerization of Nitric Oxide totrans-Hyponitrite in the Coordination Sphere of a Dinuclear Ruthenium Complex","Organometallics","2004","23","6","1269","","10.1021/om030618s","","","0.71073","MoKα","","0.0337","0.0288","","","0.0709","0.0732","","","","","","1.082","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076231","12.7335","0.0012","10.7575","0.0012","19.656","0.002","90","","93.633","0.007","90","","2687.1","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl2 O4 Ti -","- C27 H36 Cl2 O4 Ti -","- C108 H144 Cl8 O16 Ti4 -","4","1","","Waltz, Karen M.; Carroll, Patrick J.; Walsh, Patrick J.","Solid State Structures and Solution Behavior of Titanium(IV) Octahydrobinaphtholate Complexes. Examination of Nonlinear Behavior in the Asymmetric Addition of Ethyl Groups to Benzaldehyde","Organometallics","2004","23","1","127","","10.1021/om034107h","","","0.71069","MoKα","","0.0821","0.073","","0.179","0.1702","","","","1.147","1.147","1.147","","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076232","9.003","0.003","11.276","0.004","12.647","0.005","111.534","0.006","100.223","0.005","100.738","0.005","1130.1","0.7","143","1","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H52 O8 Ti2 -","- C52 H52 O8 Ti2 -","- C52 H52 O8 Ti2 -","1","0.5","","Waltz, Karen M.; Carroll, Patrick J.; Walsh, Patrick J.","Solid State Structures and Solution Behavior of Titanium(IV) Octahydrobinaphtholate Complexes. Examination of Nonlinear Behavior in the Asymmetric Addition of Ethyl Groups to Benzaldehyde","Organometallics","2004","23","1","127","","10.1021/om034107h","","","0.71069","MoKα","","0.1008","0.0708","","0.182","0.1649","","","","1.043","1.11","1.11","","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076233","12.3281","0.0005","14.1051","0.0006","12.1704","0.0005","91.918","0.003","100.07","0.002","80.611","0.003","2055.76","0.15","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H62 O8 Ti2 -","- C38 H62 O8 Ti2 -","- C76 H124 O16 Ti4 -","2","1","","Waltz, Karen M.; Carroll, Patrick J.; Walsh, Patrick J.","Solid State Structures and Solution Behavior of Titanium(IV) Octahydrobinaphtholate Complexes. Examination of Nonlinear Behavior in the Asymmetric Addition of Ethyl Groups to Benzaldehyde","Organometallics","2004","23","1","127","","10.1021/om034107h","","","0.71069","MoKα","","0.0771","0.067","","0.1848","0.1752","","","","1.099","1.123","1.123","","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076234","14.0041","0.0001","15.2164","0.0002","15.6346","0.0002","90","","90.612","0.001","90","","3331.42","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H108 O11 Ti2 -","- C62 H97 O9 Ti2 -","- C124 H194 O18 Ti4 -","2","1","","Waltz, Karen M.; Carroll, Patrick J.; Walsh, Patrick J.","Solid State Structures and Solution Behavior of Titanium(IV) Octahydrobinaphtholate Complexes. Examination of Nonlinear Behavior in the Asymmetric Addition of Ethyl Groups to Benzaldehyde","Organometallics","2004","23","1","127","","10.1021/om034107h","","","0.71069","MoKα","","0.083","0.0731","","0.2025","0.1914","","","","1.102","1.124","1.124","","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076235","8.5499","0.0003","16.0851","0.0005","18.2554","0.0005","90","","101.566","0.001","90","","2459.61","0.13","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Cl2 Ru2 S2 -","- C22 H36 Cl2 Ru2 S2 -","- C88 H144 Cl8 Ru8 S8 -","4","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Hidai, Masanobu; Uemura, Sakae","Preparation of a Series of Chalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activities toward Propargylic Substitution Reactions","Organometallics","2004","23","1","26","","10.1021/om034137k","","","0.7107","MoKα","","","0.029","","","","0.046","","","","","","2.696","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076236","8.7183","0.0003","12.1533","0.0006","15.4338","0.0009","73.528","0.002","74.898","0.002","78.929","0.001","1501.65","0.13","296.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H36 Cl F3 O4 Ru2 S3 -","- C23 Cl F3 O4 Ru2 S3 -","- C46 Cl2 F6 O8 Ru4 S6 -","2","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Hidai, Masanobu; Uemura, Sakae","Preparation of a Series of Chalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activities toward Propargylic Substitution Reactions","Organometallics","2004","23","1","26","","10.1021/om034137k","","","0.7107","MoKα","","","0.039","","","","0.048","","","","","","1.484","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076237","8.5197","0.0007","16.3652","0.0007","18.388","0.001","90","","101.934","0.004","90","","2508.4","0.3","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Cl2 Ru2 Se2 -","- C22 H36 Cl2 Ru2 Se2 -","- C88 H144 Cl8 Ru8 Se8 -","4","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Hidai, Masanobu; Uemura, Sakae","Preparation of a Series of Chalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activities toward Propargylic Substitution Reactions","Organometallics","2004","23","1","26","","10.1021/om034137k","","","0.7107","MoKα","","","0.024","","","","0.027","","","","","","1.549","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076238","8.7294","0.0007","12.23","0.0007","15.5354","0.0009","73.176","0.002","75.017","0.003","79.061","0.003","1521.71","0.18","296.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H38 Cl F3 O4 Ru2 S Se2 -","- C23 H36 Cl F3 O4 Ru2 S Se2 -","- C46 H72 Cl2 F6 O8 Ru4 S2 Se4 -","2","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Hidai, Masanobu; Uemura, Sakae","Preparation of a Series of Chalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activities toward Propargylic Substitution Reactions","Organometallics","2004","23","1","26","","10.1021/om034137k","","","0.7107","MoKα","","","0.043","","","","0.046","","","","","","2.493","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076239","19.5936","0.0002","8.8932","0.0001","17.2171","0.0001","90","","118.628","0.003","90","","2633.31","0.09","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Cl2 Ru2 Te2 -","- C22 H36 Cl2 Ru2 Te2 -","- C88 H144 Cl8 Ru8 Te8 -","4","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Hidai, Masanobu; Uemura, Sakae","Preparation of a Series of Chalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activities toward Propargylic Substitution Reactions","Organometallics","2004","23","1","26","","10.1021/om034137k","","","0.7107","MoKα","","","0.026","","","","0.04","","","","","","2.691","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076240","8.7069","0.0007","12.381","0.001","15.599","0.001","72.99","0.005","75.313","0.002","79.315","0.004","1544.2","0.2","296.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H38 Cl F3 O4 Ru2 S Te2 -","- C23 H36 Cl F3 O4 Ru2 S Te2 -","- C46 H72 Cl2 F6 O8 Ru4 S2 Te4 -","2","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Hidai, Masanobu; Uemura, Sakae","Preparation of a Series of Chalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activities toward Propargylic Substitution Reactions","Organometallics","2004","23","1","26","","10.1021/om034137k","","","0.7107","MoKα","","","0.039","","","","0.052","","","","","","2.575","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076241","11.235","0.0002","11.6468","0.0002","18.6606","0.0004","80.145","0.001","78.027","0.001","86.1","0.001","2352.07","0.08","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C57 H56 N2 P2 Ru -","- C57 H56 N2 P2 Ru -","- C114 H112 N4 P4 Ru2 -","2","1","","Abdur-Rashid, Kamaluddin; Fedorkiw, Terry; Lough, Alan J.; Morris, Robert H.","Coordinatively Unsaturated Hydridoruthenium(II) Complexes of N-Heterocyclic Carbenes","Organometallics","2004","23","1","86","","10.1021/om034178g","","","0.71073","MoKα","","0.0397","0.0315","","","0.0732","0.0778","","","","","","1.041","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4076242","9.1155","0.0001","10.3552","0.0001","12.5275","0.0002","106.318","0.001","111.09","0.001","95.128","0.001","1034.62","0.03","150","1","150","1","","","","","","","","5","P 1","P 1","1","","","","- C47 H52 N2 P2 Ru -","- C47 H52 N2 P2 Ru -","- C47 H52 N2 P2 Ru -","1","1","","Abdur-Rashid, Kamaluddin; Fedorkiw, Terry; Lough, Alan J.; Morris, Robert H.","Coordinatively Unsaturated Hydridoruthenium(II) Complexes of N-Heterocyclic Carbenes","Organometallics","2004","23","1","86","","10.1021/om034178g","","","0.71073","MoKα","","0.0242","0.0238","","","0.0571","0.0574","","","","","","1.04","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4076243","11.277","0.0009","12.446","0.001","29.068","0.003","90","","96.445","0.003","90","","4054","0.6","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 N2 O4 P Ru -","- C46 H47 N2 O4 P Ru -","- C184 H188 N8 O16 P4 Ru4 -","4","1","","Abdur-Rashid, Kamaluddin; Fedorkiw, Terry; Lough, Alan J.; Morris, Robert H.","Coordinatively Unsaturated Hydridoruthenium(II) Complexes of N-Heterocyclic Carbenes","Organometallics","2004","23","1","86","","10.1021/om034178g","","","0.71073","MoKα","","0.1827","0.0962","","","0.2206","0.2536","","","","","","1.07","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076244","15.095","0.0002","11.032","0.0002","26.21","0.0004","90","","105.674","0.0007","90","","4202.4","0.12","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H51 N2 O2 P Ru -","- C51 H51 N2 O2 P Ru -","- C204 H204 N8 O8 P4 Ru4 -","4","1","","Abdur-Rashid, Kamaluddin; Fedorkiw, Terry; Lough, Alan J.; Morris, Robert H.","Coordinatively Unsaturated Hydridoruthenium(II) Complexes of N-Heterocyclic Carbenes","Organometallics","2004","23","1","86","","10.1021/om034178g","","","0.71073","MoKα","","0.0648","0.0384","","","0.0819","0.0916","","","","","","1.035","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4076245","30.03","0.03","45.54","0.05","12.788","0.011","90","","90","","90","","17488","3","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C96 H106 K2 O10 Si4 -","- C96 H106 K2 O10 Si4 -","- C768 H848 K16 O80 Si32 -","8","0.5","","Pietschnig, Rudolf; Merz, Klaus","Selective Formation of Functionalized Disiloxanes from Terphenylfluorosilanes","Organometallics","2004","23","6","1373","","10.1021/om034193l","","","0.71073","MoKα","","0.0828","0.0514","","","0.1239","0.1424","","","","","","1.059","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076246","26.251","0.002","13.0494","0.0009","14.919","0.001","90","","120.065","0.002","90","","4423.1","0.5","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 O Si2 -","- C52 H62 O Si2 -","- C208 H248 O4 Si8 -","4","0.5","","Pietschnig, Rudolf; Merz, Klaus","Selective Formation of Functionalized Disiloxanes from Terphenylfluorosilanes","Organometallics","2004","23","6","1373","","10.1021/om034193l","","","0.71073","MoKα","","0.0736","0.0429","","","0.1013","0.1106","","","","","","0.923","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076247","14.06","0.0007","14.06","0.0009","15.9528","0.0013","90","","90","","120","","2731.1","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C28 H28 Fe N6 O4 -","- C28 H28 Fe N6 O4 -","- C84 H84 Fe3 N18 O12 -","3","1","","Westwood, Joanna; Coles, Simon J.; Collinson, Simon R.; Gasser, Gilles; Green, Stephen J.; Hursthouse, Michael B.; Light, Mark E.; Tucker, James H. R.","Binding and Electrochemical Recognition of Barbiturate and Urea Derivatives by a Regioisomeric Series of Hydrogen-Bonding Ferrocene Receptors","Organometallics","2004","23","5","946","","10.1021/om034217o","","","0.71073","MoKα","","0.1827","0.1338","","","0.3369","0.3684","","","","","","1.104","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076248","11.862","0.002","17.91","0.004","24.123","0.005","90","","90.95","0.03","90","","5124.2","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Fe N4 O3 -","- C28 H22 Fe N4 O3 -","- C224 H176 Fe8 N32 O24 -","8","1","","Westwood, Joanna; Coles, Simon J.; Collinson, Simon R.; Gasser, Gilles; Green, Stephen J.; Hursthouse, Michael B.; Light, Mark E.; Tucker, James H. R.","Binding and Electrochemical Recognition of Barbiturate and Urea Derivatives by a Regioisomeric Series of Hydrogen-Bonding Ferrocene Receptors","Organometallics","2004","23","5","946","","10.1021/om034217o","","","0.71073","MoKα","","0.1144","0.0623","","","0.1642","0.1872","","","","","","1.121","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4076249","10.688","0.002","23.535","0.005","15.62","0.003","90","","104.31","0.03","90","","3807.2","1.4","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 F3 N5 O7 Re S2 -","- C36 H35 F3 N5 O7 Re S2 -","- C144 H140 F12 N20 O28 Re4 S8 -","4","1","","Lo, Kenneth Kam-Wing; Lau, Jason Shing-Yip; Fong, Vivian Wai-Yin; Zhu, Nianyong","Electrochemical, Photophysical, and Anion-Binding Properties of a Luminescent Rhenium(I) Polypyridine Anthraquinone Complex with a Thiourea Receptor","Organometallics","2004","23","5","1098","","10.1021/om034224c","","","0.71069","MoKα","","0.0526","0.0365","","","0.092","0.0972","","","","","","0.961","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076250","11.7204","0.0009","11.7204","0.0009","31.957","0.004","90","","90","","90","","4389.9","0.7","110","2","110","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C36 H69 Mo3 N3 O12 -","- C36.008 H69.14 Mo3 N3.001 O12 -","- C144.032 H276.56 Mo12 N12.004 O48 -","4","0.25","","Adrian, Rafael A.; Yaklin, Marsha M.; Klausmeyer, Kevin K.","Synthesis and Characterization of Bi- and Trinuclear Molybdenum Carbonyl Compounds Obtained by Ligand Exchange Reactions of [Et4N]3[Mo3(CO)9(OMe)3]","Organometallics","2004","23","6","1352","","10.1021/om034260b","","","0.71073","MoKα","","0.0944","0.0622","","","0.1258","0.1356","","","","","","1.085","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076251","11.8918","0.0008","17.5341","0.0012","26.0493","0.0016","90","","90","","90","","5431.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H81 Mo2 N7 O9 -","- C50 H81 Mo2 N7 O9 -","- C200 H324 Mo8 N28 O36 -","4","1","","Adrian, Rafael A.; Yaklin, Marsha M.; Klausmeyer, Kevin K.","Synthesis and Characterization of Bi- and Trinuclear Molybdenum Carbonyl Compounds Obtained by Ligand Exchange Reactions of [Et4N]3[Mo3(CO)9(OMe)3]","Organometallics","2004","23","6","1352","","10.1021/om034260b","","","0.71073","MoKα","","0.087","0.059","","","0.1403","0.1541","","","","","","1.015","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076252","15.089","0.003","19.2429","0.0015","19.329","0.003","90","","90","","90","","5612.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H75 Mo2 N7 O9 -","- C53 H75 Mo2 N7 O9 -","- C212 H300 Mo8 N28 O36 -","4","1","","Adrian, Rafael A.; Yaklin, Marsha M.; Klausmeyer, Kevin K.","Synthesis and Characterization of Bi- and Trinuclear Molybdenum Carbonyl Compounds Obtained by Ligand Exchange Reactions of [Et4N]3[Mo3(CO)9(OMe)3]","Organometallics","2004","23","6","1352","","10.1021/om034260b","","","0.71073","MoKα","","0.0659","0.0494","","","0.1031","0.1088","","","","","","1.07","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076253","10.039","0.004","44.648","0.016","21.756","0.008","90","","90.143","0.018","90","","9751","6","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H150 Mo6 N6 O30 -","- C78 H150 Mo6 N6 O30 -","- C312 H600 Mo24 N24 O120 -","4","1","","Adrian, Rafael A.; Yaklin, Marsha M.; Klausmeyer, Kevin K.","Synthesis and Characterization of Bi- and Trinuclear Molybdenum Carbonyl Compounds Obtained by Ligand Exchange Reactions of [Et4N]3[Mo3(CO)9(OMe)3]","Organometallics","2004","23","6","1352","","10.1021/om034260b","","","0.71073","MoKα","","0.0592","0.0545","","","0.1404","0.1445","","","","","","1.03","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076254","16.512","0.003","17.259","0.003","18.228","0.004","90","","102.758","0.004","90","","5066.4","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H85 O7 P3 Sn2 -","- C40 H85 O7 P3 Sn2 -","- C160 H340 O28 P12 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Baskar, Viswanathan; Steiner, Alexander; Zacchini, Stefano","Reactions ofn-Bu2SnO and (n-Bu3Sn)2O with 1,1,2,3,3-Pentamethyltrimethylene Phosphinic Acid: Synthesis and X-ray Crystal Structures of a Novel Spirocyclic Coordination Polymer and a 16-Membered Inorganic Macrocycle","Organometallics","2004","23","6","1390","","10.1021/om034262w","","","0.71073","MoKα","","0.0839","0.0419","","","0.0917","0.1102","","","","","","0.952","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076255","19.2108","0.0008","19.2108","0.0008","13.0532","0.0007","90","","90","","90","","4817.3","0.4","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C80 H172 O8 P4 Sn4 -","- C80 H172 O8 P4 Sn4 -","- C160 H344 O16 P8 Sn8 -","2","0.25","","Chandrasekhar, Vadapalli; Baskar, Viswanathan; Steiner, Alexander; Zacchini, Stefano","Reactions ofn-Bu2SnO and (n-Bu3Sn)2O with 1,1,2,3,3-Pentamethyltrimethylene Phosphinic Acid: Synthesis and X-ray Crystal Structures of a Novel Spirocyclic Coordination Polymer and a 16-Membered Inorganic Macrocycle","Organometallics","2004","23","6","1390","","10.1021/om034262w","","","0.71073","MoKα","","0.0627","0.0449","","","0.1133","0.1296","","","","","","1.02","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076256","10.488","0.001","13.622","0.001","19.113","0.001","100.81","0.02","91.99","0.02","97.95","0.02","2651.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 I N P Pd -","- C32 H29 I N P Pd -","- C128 H116 I4 N4 P4 Pd4 -","4","2","","Solé, Daniel; Vallverdú, Lluís; Solans, Xavier; Font-Bardia, Mercè; Bonjoch, Josep","Synthesis and Reactivity of Four-Membered Azapalladacycles Derived fromN,N-Dialkyl-2-iodoanilines: Insertion Reactions of Carbenes into the Carbon−Palladium Bond","Organometallics","2004","23","6","1438","","10.1021/om034270c","","","0.71069","MoKα","","0.1194","0.0472","","","0.1121","0.1293","","","","","","1.017","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076257","9.528","0.001","26.6","0.001","12.833","0.001","90","","101.926","0.001","90","","3182.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 I2 N2 O4 P2 Pd2 -","- C70 H58 I2 N2 O4 P2 Pd2 -","- C140 H116 I4 N4 O8 P4 Pd4 -","2","0.5","","Solé, Daniel; Vallverdú, Lluís; Solans, Xavier; Font-Bardia, Mercè; Bonjoch, Josep","Synthesis and Reactivity of Four-Membered Azapalladacycles Derived fromN,N-Dialkyl-2-iodoanilines: Insertion Reactions of Carbenes into the Carbon−Palladium Bond","Organometallics","2004","23","6","1438","","10.1021/om034270c","","","0.71069","MoKα","","0.0627","0.0321","","","0.079","0.0908","","","","","","1.109","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076258","11.935","0.001","14.346","0.001","16.929","0.001","90","","92.27","","90","","2896.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H62 I2 N2 O4 P2 Pd2 -","- C60 H62 I2 N2 O4 P2 Pd2 -","- C120 H124 I4 N4 O8 P4 Pd4 -","2","0.5","","Solé, Daniel; Vallverdú, Lluís; Solans, Xavier; Font-Bardia, Mercè; Bonjoch, Josep","Synthesis and Reactivity of Four-Membered Azapalladacycles Derived fromN,N-Dialkyl-2-iodoanilines: Insertion Reactions of Carbenes into the Carbon−Palladium Bond","Organometallics","2004","23","6","1438","","10.1021/om034270c","","","0.71069","MoKα","","0.0892","0.0645","","","0.2142","0.2325","","","","","","1.179","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076259","16.977","0.001","10.148","0.001","21.7403","0.0008","90","","121.688","0.003","90","","3187.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 I N O2 P Pd -","- C36 H35 I N O2 P Pd -","- C144 H140 I4 N4 O8 P4 Pd4 -","4","1","","Solé, Daniel; Vallverdú, Lluís; Solans, Xavier; Font-Bardia, Mercè; Bonjoch, Josep","Synthesis and Reactivity of Four-Membered Azapalladacycles Derived fromN,N-Dialkyl-2-iodoanilines: Insertion Reactions of Carbenes into the Carbon−Palladium Bond","Organometallics","2004","23","6","1438","","10.1021/om034270c","","","0.71069","MoKα","","0.0435","0.0338","","","0.0917","0.1097","","","","","","1.221","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076260","20.337","0.001","14.775","0.001","23.608","0.001","90","","90","","90","","7093.7","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H45 I N O3 P Pd -","- C36 H45 I N O3 P Pd -","- C288 H360 I8 N8 O24 P8 Pd8 -","8","1","","Solé, Daniel; Vallverdú, Lluís; Solans, Xavier; Font-Bardia, Mercè; Bonjoch, Josep","Synthesis and Reactivity of Four-Membered Azapalladacycles Derived fromN,N-Dialkyl-2-iodoanilines: Insertion Reactions of Carbenes into the Carbon−Palladium Bond","Organometallics","2004","23","6","1438","","10.1021/om034270c","","","0.71069","MoKα","","0.2744","0.076","","","0.155","0.2117","","","","","","0.872","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076261","10.036","0.003","10.779","0.003","16.581","0.005","73.849","0.005","77.721","0.005","65.926","0.004","1563","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cr4 O8 Se4 -","- C28 H28 Cr4 O8 Se4 -","- C56 H56 Cr8 O16 Se8 -","2","1","","Song, Li-Cheng; Cheng, Hua-Wei; Hu, Qing-Mei","A Basic Strategy for Functionalization of Metal Cyclopentadienyl Complexes: Synthesis, Characterization, and Reactivity of Linear, Butterfly, and Cubic Chromium/Selenium Complexes Containing Functionally Substituted Cyclopentadienyl Ligands","Organometallics","2004","23","5","1072","","10.1021/om034283q","","","0.71073","MoKα","","0.0721","0.0514","","","0.1262","0.1407","","","","","","0.983","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076262","9.777","0.005","10.028","0.006","16.758","0.01","93.26","0.009","96.725","0.009","111.474","0.009","1509.6","1.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cr4 O6 Se4 -","- C26 H26 Cr4 O6 Se4 -","- C52 H52 Cr8 O12 Se8 -","2","1","","Song, Li-Cheng; Cheng, Hua-Wei; Hu, Qing-Mei","A Basic Strategy for Functionalization of Metal Cyclopentadienyl Complexes: Synthesis, Characterization, and Reactivity of Linear, Butterfly, and Cubic Chromium/Selenium Complexes Containing Functionally Substituted Cyclopentadienyl Ligands","Organometallics","2004","23","5","1072","","10.1021/om034283q","","","0.71073","MoKα","","0.0921","0.0575","","","0.1398","0.1545","","","","","","1.108","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076263","11.068","0.003","11.068","0.003","12.901","0.006","90","","90","","90","","1580.4","1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C28 H38 Cr4 N0 O5 Se4 -","- C28 H32 Cr4 O5 Se4 -","- C56 H64 Cr8 O10 Se8 -","2","0.25","","Song, Li-Cheng; Cheng, Hua-Wei; Hu, Qing-Mei","A Basic Strategy for Functionalization of Metal Cyclopentadienyl Complexes: Synthesis, Characterization, and Reactivity of Linear, Butterfly, and Cubic Chromium/Selenium Complexes Containing Functionally Substituted Cyclopentadienyl Ligands","Organometallics","2004","23","5","1072","","10.1021/om034283q","","","0.71073","MoKα","","0.1417","0.0576","","","0.1363","0.1713","","","","","","0.982","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076264","10.787","0.006","8.057","0.005","23.448","0.014","90","","96.548","0.011","90","","2025","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cr2 O8 Se -","- C18 H14 Cr2 O8 Se -","- C72 H56 Cr8 O32 Se4 -","4","0.5","","Song, Li-Cheng; Cheng, Hua-Wei; Hu, Qing-Mei","A Basic Strategy for Functionalization of Metal Cyclopentadienyl Complexes: Synthesis, Characterization, and Reactivity of Linear, Butterfly, and Cubic Chromium/Selenium Complexes Containing Functionally Substituted Cyclopentadienyl Ligands","Organometallics","2004","23","5","1072","","10.1021/om034283q","","","0.71073","MoKα","","0.1007","0.0683","","","0.1628","0.1799","","","","","","1.034","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076265","10.6855","0.001","12.7453","0.0012","19.1833","0.0018","90","","90","","90","","2612.6","0.4","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H36 Cl Cu N2 -","- C27 H36 Cl Cu N2 -","- C108 H144 Cl4 Cu4 N8 -","4","0.5","","Kaur, Harneet; Zinn, Fabiano Kauer; Stevens, Edwin D.; Nolan, Steven P.","(NHC)CuI(NHC = N-Heterocyclic Carbene) Complexes as Efficient Catalysts for the Reduction of Carbonyl Compounds","Organometallics","2004","23","5","1157","","10.1021/om034285a","","","0.71073","MoKα","","0.0568","0.0359","","","0.141","0.1712","","","","","","1.086","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076266","14.8196","0.0005","6.271","0.0006","23.1693","0.0011","90","","90","","90","","2153.2","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 Fe2 S4 -","- C22 H22 Fe2 S4 -","- C88 H88 Fe8 S16 -","4","1","","Gibson, Vernon C.; Long, Nicholas J.; Long, Richard J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.; Grigiotti, Emanuela; Zanello, Piero","Synthesis, Characterization, and Metal Complexation of Unsymmetrical 1,1‘-Bis(organylthiolato)ferrocenes","Organometallics","2004","23","5","957","","10.1021/om034287v","","","1.54178","CuKα","","0.0611","0.0524","","0.1403","0.1316","","","","1.063","1.085","1.085","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076267","11.4414","0.0011","13.6052","0.0011","13.9609","0.0013","89.413","0.007","72.565","0.007","79.373","0.008","2035.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cl8 Fe2 Pd2 S4 -","- C30 H36 Cl8 Fe2 Pd2 S4 -","- C60 H72 Cl16 Fe4 Pd4 S8 -","2","1","","Gibson, Vernon C.; Long, Nicholas J.; Long, Richard J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.; Grigiotti, Emanuela; Zanello, Piero","Synthesis, Characterization, and Metal Complexation of Unsymmetrical 1,1‘-Bis(organylthiolato)ferrocenes","Organometallics","2004","23","5","957","","10.1021/om034287v","","","0.71073","MoKα","","0.0852","0.0458","","0.1102","0.0934","","","","1.028","1.085","1.085","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076268","5.8724","0.0007","8.6686","0.0008","17.882","0.002","91.824","0.008","94.213","0.01","102.007","0.008","886.93","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl2 Fe Pd S2 -","- C17 H16 Cl2 Fe Pd S2 -","- C34 H32 Cl4 Fe2 Pd2 S4 -","2","1","","Gibson, Vernon C.; Long, Nicholas J.; Long, Richard J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.; Grigiotti, Emanuela; Zanello, Piero","Synthesis, Characterization, and Metal Complexation of Unsymmetrical 1,1‘-Bis(organylthiolato)ferrocenes","Organometallics","2004","23","5","957","","10.1021/om034287v","","","1.54178","CuKα","","0.0468","0.0356","","0.0899","0.0837","","","","1.029","1.065","1.065","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076269","15.964","0.004","8.289","0.0008","16.714","0.004","90","","113.119","0.015","90","","2034.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Fe O4 S2 W -","- C19 H20 Fe O4 S2 W -","- C76 H80 Fe4 O16 S8 W4 -","4","1","","Gibson, Vernon C.; Long, Nicholas J.; Long, Richard J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.; Grigiotti, Emanuela; Zanello, Piero","Synthesis, Characterization, and Metal Complexation of Unsymmetrical 1,1‘-Bis(organylthiolato)ferrocenes","Organometallics","2004","23","5","957","","10.1021/om034287v","","","0.71073","MoKα","","0.043","0.0342","","0.0832","0.0782","","","","1.082","1.115","1.115","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076270","9.467","0.0019","13.707","0.003","17.709","0.005","89.36","0.011","88.989","0.011","89.096","0.015","2297.2","0.9","133","2","133","2","","","","","","","","5","P -1","-P 1","2","mnh18","","","- C20 H33 K Mn O8 -","- C20 H32 K Mn O8 -","- C80 H128 K4 Mn4 O32 -","4","2","","Chatterton, Nicholas P.; Guilera, Gemma; McGrady, G. Sean","Structure of the Elusive Hydrido(methylcyclopentadienyl)dicarbonylmanganate(I) Anion, [(η5-C5H4Me)Mn(CO)2H]-, as Determined by Single-Crystal X-ray Diffraction","Organometallics","2004","23","5","1165","","10.1021/om034293r","","","0.71073","MoKα","","0.0801","0.0412","","","0.0683","0.078","","","","","","0.977","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076271","11.3599","0.0004","18.0866","0.0011","18.219","0.002","75.749","0.006","74.98","0.008","78.884","0.005","3470.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H38 Cl2 N3 Rh2 -","- C37 H38 Cl2 N3 Rh2 -","- C148 H152 Cl8 N12 Rh8 -","4","2","","Gaunt, Joseph A.; Gibson, Vernon C.; Haynes, Anthony; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.","Bis(imino)carbazolide Complexes of Rhodium: Highly Nucleophilic Ligands Exerting a Dramatic Accelerating Effect on MeI Oxidative Addition","Organometallics","2004","23","5","1015","","10.1021/om034309d","","","1.54178","CuKα","","0.0807","0.0529","","0.1445","0.1259","","","","1.035","1.087","1.087","","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076272","11.1574","0.0007","11.4579","0.0007","12.7057","0.0008","68.598","0.002","80.593","0.0002","79.021","0.002","1476.75","0.16","173","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 Al Mo N3 Si2 -","- C25 H44 Al Mo N3 Si2 -","- C50 H88 Al2 Mo2 N6 Si4 -","2","1","","Ison, Elon A.; Abboud, Khalil A.; Ghiviriga, Ion; Boncella, James M.","Alkylaluminum-Induced Diamide Transfer from Group 6 Imido Diamido Complexes","Organometallics","2004","23","5","929","","10.1021/om034322y","","","0.71073","MoKα","","0.0751","0.0409","","","0.0966","0.1038","","","","","","0.913","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076273","14.1426","0.0008","11.3076","0.0007","23.6743","0.0016","90","","107.361","0.002","90","","3613.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 Al Mo N3 Si2 -","- C35 H46 Al Mo N3 Si2 -","- C140 H184 Al4 Mo4 N12 Si8 -","4","1","","Ison, Elon A.; Abboud, Khalil A.; Ghiviriga, Ion; Boncella, James M.","Alkylaluminum-Induced Diamide Transfer from Group 6 Imido Diamido Complexes","Organometallics","2004","23","5","929","","10.1021/om034322y","","","0.71073","MoKα","","0.0644","0.0368","","","0.0884","0.0988","","","","","","1.002","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076274","13.638","0.003","15.684","0.003","16.274","0.003","71.738","0.003","80.697","0.003","84.728","0.003","3259","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H102 Ge2 N6 P4 Si4 -","- C50 H102 Ge2 N6 P4 Si4 -","- C100 H204 Ge4 N12 P8 Si8 -","2","1","","Leung, Wing-Por; Ip, Queenie Wai-Yan; Lam, Tai-Wing; Mak, Thomas C. W.","Syntheses, Structures, and Reactivities of 2,3-Pyrazyl-Linked Bis(1-aza-allyl) Alkali-Metal Complexes","Organometallics","2004","23","6","1284","","10.1021/om034323q","","","0.71073","MoKα","","0.1051","0.0721","","","0.122","0.1341","","","","","","1.029","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076275","38.2658","0.0018","10.837","0.0005","18.0881","0.0009","90","","104.088","0.001","90","","7275.3","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H59 Mg N3 O P2 Si2 -","- C29 H59 Mg N3 O P2 Si2 -","- C232 H472 Mg8 N24 O8 P16 Si16 -","8","1","","Leung, Wing-Por; Ip, Queenie Wai-Yan; Lam, Tai-Wing; Mak, Thomas C. W.","Syntheses, Structures, and Reactivities of 2,3-Pyrazyl-Linked Bis(1-aza-allyl) Alkali-Metal Complexes","Organometallics","2004","23","6","1284","","10.1021/om034323q","","","0.71073","MoKα","","0.0853","0.0548","","","0.1509","0.1775","","","","","","1.021","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076276","11.702","0.002","13.933","0.003","17.285","0.004","89.48","0.03","72.35","0.03","67.73","0.03","2467.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H136 N8 P4 Pb4 Si8 -","- C62 H136 N8 P4 Pb4 Si8 -","- C62 H136 N8 P4 Pb4 Si8 -","1","0.5","","Leung, Wing-Por; Ip, Queenie Wai-Yan; Lam, Tai-Wing; Mak, Thomas C. W.","Syntheses, Structures, and Reactivities of 2,3-Pyrazyl-Linked Bis(1-aza-allyl) Alkali-Metal Complexes","Organometallics","2004","23","6","1284","","10.1021/om034323q","","","0.71073","MoKα","","0.0849","0.078","","","0.2056","0.2151","","","","","","1.059","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076277","17.3273","0.0009","32.3481","0.0017","14.4214","0.0008","90","","109.265","0.001","90","","7630.6","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H100 Cl2 N6 P4 Si4 Sn4 -","- C50 H100 Cl2 N6 P4 Si4 Sn4 -","- C200 H400 Cl8 N24 P16 Si16 Sn16 -","4","0.5","","Leung, Wing-Por; Ip, Queenie Wai-Yan; Lam, Tai-Wing; Mak, Thomas C. W.","Syntheses, Structures, and Reactivities of 2,3-Pyrazyl-Linked Bis(1-aza-allyl) Alkali-Metal Complexes","Organometallics","2004","23","6","1284","","10.1021/om034323q","","","0.71073","MoKα","","0.1127","0.0599","","","0.1815","0.2086","","","","","","0.982","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076278","8.5713","0.0017","8.5866","0.0017","30.745","0.006","94.76","0.03","94.61","0.03","112.88","0.03","2061.9","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H70 Cl2 P2 Rh2 -","- C40 H70 Cl2 P2 Rh2 -","- C80 H140 Cl4 P4 Rh4 -","2","1","","Canepa, Giuseppe; Brandt, Carsten D.; Werner, Helmut","Mono- and Dinuclear Rhodium(I) and Rhodium(III) Complexes with the Bulky Phosphine 2,6-Me2C6H3CH2CH2PtBu2, Including the First Structurally Characterized Cis-Configurated Dicarbonyl Compound,cis-[RhCl(CO)2(PR3)]","Organometallics","2004","23","5","1140","","10.1021/om034348p","","","0.71073","MoKα","","0.0587","0.0534","","","0.1394","0.142","","","","","","1.162","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076279","7.9221","0.0004","8.6663","0.0004","16.9724","0.0009","90.031","0.001","90.64","0.001","111.765","0.001","1082.1","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31 Cl O2 P Rh -","- C20 H31 Cl O2 P Rh -","- C40 H62 Cl2 O4 P2 Rh2 -","2","1","","Canepa, Giuseppe; Brandt, Carsten D.; Werner, Helmut","Mono- and Dinuclear Rhodium(I) and Rhodium(III) Complexes with the Bulky Phosphine 2,6-Me2C6H3CH2CH2PtBu2, Including the First Structurally Characterized Cis-Configurated Dicarbonyl Compound,cis-[RhCl(CO)2(PR3)]","Organometallics","2004","23","5","1140","","10.1021/om034348p","","","0.71073","MoKα","","0.0216","0.021","","","0.0542","0.0546","","","","","","1.075","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076280","9.5298","0.0008","16.3972","0.0014","11.1057","0.001","90","","103.348","0.001","90","","1688.5","0.3","194","2","194","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H40 Cl5 Cu N2 -","- C29 H40 Cl5 Cu N2 -","- C58 H80 Cl10 Cu2 N4 -","2","0.5","","Mankad, Neal P.; Gray, Thomas G.; Laitar, David S.; Sadighi, Joseph P.","Synthesis, Structure, and CO2Reactivity of a Two-Coordinate (Carbene)copper(I) Methyl Complex","Organometallics","2004","23","6","1191","","10.1021/om034368r","","","0.71073","MoKα","","0.0675","0.0655","","","0.1651","0.1667","","","","","","1.058","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076281","22.561","0.003","9.4266","0.0012","16.89","0.002","90","","116.117","0.002","90","","3225.3","0.7","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Cu N2 -","- C33 H39 Cu N2 -","- C132 H156 Cu4 N8 -","4","0.5","","Mankad, Neal P.; Gray, Thomas G.; Laitar, David S.; Sadighi, Joseph P.","Synthesis, Structure, and CO2Reactivity of a Two-Coordinate (Carbene)copper(I) Methyl Complex","Organometallics","2004","23","6","1191","","10.1021/om034368r","","","0.71073","MoKα","","0.1378","0.0869","","","0.1758","0.1935","","","","","","1.158","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076282","17.6693","0.0016","23.498","0.002","16.4406","0.0015","90","","115.716","0.002","90","","6149.9","1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cu N2 O2 -","- C32 H42 Cu N2 O2 -","- C256 H336 Cu8 N16 O16 -","8","2","","Mankad, Neal P.; Gray, Thomas G.; Laitar, David S.; Sadighi, Joseph P.","Synthesis, Structure, and CO2Reactivity of a Two-Coordinate (Carbene)copper(I) Methyl Complex","Organometallics","2004","23","6","1191","","10.1021/om034368r","","","0.71073","MoKα","","0.1093","0.0628","","","0.1408","0.1596","","","","","","1.029","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076283","10.569","0.004","11.656","0.003","18.575","0.008","80.39","0.03","80.61","0.03","76.28","0.02","2173.5","1.4","221","","221","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H32 Pt -","- C25 H32 Pt -","- C100 H128 Pt4 -","4","2","","Landorf, Christopher W.; Jacob, Volker; Weakley, Timothy J. R.; Haley, Michael M.","Rational Synthesis of Platinabenzenes†","Organometallics","2004","23","6","1174","","10.1021/om034371a","","","0.71073","MoKα","","0.048","0.031","","0.077","","0.038","","","1.56","","","1.63","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076284","17.0097","0.0009","15.7871","0.001","18.8105","0.001","90","","94.282","0.004","90","","5037.2","0.5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H9 B F15 V -","- C28 H9 B F15 V -","- C224 H72 B8 F120 V8 -","8","2","","Choukroun, Robert; Lorber, Christian; Donnadieu, Bruno","Zwitterionic, Ring-Borylated Vanadium(III) Complexes from [Cp2VCO] and B(C6F5)3","Organometallics","2004","23","6","1434","","10.1021/om034383w","","","0.71073","MoKα","","0.0936","0.0483","","","0.1094","0.1269","","","","","","0.926","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076285","10.819","0.005","13.785","0.005","18.562","0.005","90","0.005","105.417","0.005","90","0.005","2668.7","1.7","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H9 B F15 O2 V -","- C30 H9 B F15 O2 V -","- C120 H36 B4 F60 O8 V4 -","4","1","","Choukroun, Robert; Lorber, Christian; Donnadieu, Bruno","Zwitterionic, Ring-Borylated Vanadium(III) Complexes from [Cp2VCO] and B(C6F5)3","Organometallics","2004","23","6","1434","","10.1021/om034383w","","","0.71073","MoKα","","0.0469","0.0369","","","0.0951","0.1","","","","","","1.099","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076286","14.594","0.005","16.127","0.005","11.89","0.005","90","0.005","97.046","0.005","90","0.005","2777.3","1.7","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H11 B F15 O2 V -","- C30 H11 B F15 O2 V -","- C120 H44 B4 F60 O8 V4 -","4","1","","Choukroun, Robert; Lorber, Christian; Donnadieu, Bruno","Zwitterionic, Ring-Borylated Vanadium(III) Complexes from [Cp2VCO] and B(C6F5)3","Organometallics","2004","23","6","1434","","10.1021/om034383w","","","0.71073","MoKα","","0.0663","0.0369","","","0.0799","0.0911","","","","","","1.015","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076287","12.0176","0.0002","22.4722","0.0003","23.2871","0.0004","90","","99.293","0.001","90","","6206.42","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H90 Fe2 K Mg N3 Si6 -","- C52 H90 Fe2 K Mg N3 Si6 -","- C208 H360 Fe8 K4 Mg4 N12 Si24 -","4","1","","Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Sherrington, David C.","Synthesis, Structure, and Methyl Methacrylate Polymerization Activity of a Mixed π-Ferrocene π-Toluene Complex of Potassium Tris(hexamethyldisilazide)magnesiate","Organometallics","2004","23","6","1197","","10.1021/om034390k","","","0.71073","MoKα","","0.1651","0.0693","","","0.0963","0.1116","","","","","","1.023","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076288","11.2859","0.0001","14.6377","0.0001","17.7437","0.0001","90","","90","","90","","2931.25","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 N2 Pt -","- C33 H42 N2 Pt -","- C132 H168 N8 Pt4 -","4","1","","Hoogervorst, Wilhelmus J.; Koster, Anne L.; Lutz, Martin; Spek, Anthony L.; Elsevier, Cornelis J.","trans-Arylplatinum(II) Methyl Compounds Containing a Bis(imino)aryl [NCN] Ligand","Organometallics","2004","23","5","1161","","10.1021/om0343972","","","0.71073","MoKα","","0.0158","0.0153","","","0.0359","0.0361","","","","","","1.05","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076289","17.083","0.006","18.356","0.006","11.473","0.004","90","","105.732","0.015","90","","3463","2","153","2","153","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C38 H54 Ru3 -","- C38 H39 Ru3 -","- C152 H156 Ru12 -","4","0.5","","Takao, Toshiro; Takaya, Yoshiaki; Murotani, Eisuke; Tenjimbayashi, Ryu-ichi; Suzuki, Hiroharu","Synthesis and Characterization of Triruthenium Complexes Containing a Perpendicularly Coordinated Alkyne Ligand","Organometallics","2004","23","26","6094","","10.1021/om049287p","","","0.71069","MoKα","","0.0607","0.0468","","","0.1166","0.1252","","","","","","1.028","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076290","9.6105","0.0013","5.526","0.0007","7.8636","0.001","90","","93.682","0.005","90","","416.76","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 B N -","- C10 H10 B N -","- C20 H20 B2 N2 -","2","0.5","","Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.","1,2-Azaboratabenzene: A Heterocyclic π-Ligand with an Adjustable Basicity at Nitrogen","Organometallics","2004","23","23","5626","5629","10.1021/om049399g","","","0.71073","MoKα","","0.0791","0.0448","","","0.1054","0.119","","","","","","1.065","","","","has coordinates,has disorder","209934","2020-10-21","18:00:00",""
"4076291","7.772","0.002","13.838","0.004","8.312","0.002","90","","93.343","0.002","90","","892.4","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 B N Ru -","- C20 H24 B N Ru -","- C40 H48 B2 N2 Ru2 -","2","1","","Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.","1,2-Azaboratabenzene: A Heterocyclic π-Ligand with an Adjustable Basicity at Nitrogen","Organometallics","2004","23","23","5626","5629","10.1021/om049399g","","","0.71073","MoKα","","0.0286","0.0274","","","0.0692","0.0704","","","","","","1.014","","","","has coordinates,has disorder","209934","2020-10-21","18:00:00",""
"4076293","8.4249","0.0007","17.0274","0.0014","8.267","0.0007","90","","98.11","0.002","90","","1174.07","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 B Mn O4 -","- C12 H8 B Mn O4 -","- C48 H32 B4 Mn4 O16 -","4","1","","Chen, Jinhui; Fang, Xiangdong; Bajko, Zoltan; Kampf, Jeff W.; Ashe, Arthur J.","A Boron Analogue of Furan. The Synthesis and Coordination Chemistry of 2-Substituted-1,2-Oxaborolides","Organometallics","2004","23","21","5088","","10.1021/om049473v","","","0.71073","MoKα","","0.0236","0.0225","","","0.0634","0.0641","","","","","","1.058","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076294","8.7654","0.0013","14.136","0.002","13.82","0.002","90","","94.583","0.004","90","","1706.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B O Ru -","- C19 H23 B O Ru -","- C76 H92 B4 O4 Ru4 -","4","1","","Chen, Jinhui; Fang, Xiangdong; Bajko, Zoltan; Kampf, Jeff W.; Ashe, Arthur J.","A Boron Analogue of Furan. The Synthesis and Coordination Chemistry of 2-Substituted-1,2-Oxaborolides","Organometallics","2004","23","21","5088","","10.1021/om049473v","","","0.71073","MoKα","","0.0534","0.035","","","0.0784","0.083","","","","","","1.043","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076295","7.8384","0.0008","14.0307","0.0017","18.567","0.002","90","","98.593","0.013","90","","2019","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-(Diethylamino)-3-methyl-5-tert.-butyl)-1-(carbonyl-nitrosyl- cyclopentadienyltungsta)-1,3,4-pentatrien","","- C19 H28 N2 O2 W -","- C19 H28 N2 O2 W -","- C76 H112 N8 O8 W4 -","4","1","","Ipaktschi, Junes; Mohseni-Ala, Javad; Dülmer, Ansgar; Steffens, Stefan; Wittenburg, Christian; Heck, Jürgen","Addition of Ynamines to the Tungsten η1-Vinylidene Complexes (η5-C5H5)(NO)(CO)WCC(H)R","Organometallics","2004","23","21","4902","","10.1021/om049554r","","","0.71073","MoKα","","0.0322","0.0246","","","0.0545","0.0658","","","","","","1.114","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076296","9.4711","0.0009","15.0031","0.0013","15.0217","0.0013","90","","107.825","0.01","90","","2032.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Carbonyl-eta^5^-Cyclopentadienyl-nitrosyl-[3-diethylamino-2-phenyl-4-ethyl-2- cyclobutenyliden]tungsten","","- C21 H24 N2 O2 W -","- C21 H24 N2 O2 W -","- C84 H96 N8 O8 W4 -","4","1","","Ipaktschi, Junes; Mohseni-Ala, Javad; Dülmer, Ansgar; Steffens, Stefan; Wittenburg, Christian; Heck, Jürgen","Addition of Ynamines to the Tungsten η1-Vinylidene Complexes (η5-C5H5)(NO)(CO)WCC(H)R","Organometallics","2004","23","21","4902","","10.1021/om049554r","","","0.71073","MoKα","","0.0447","0.0272","","","0.0559","0.0598","","","","","","0.991","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076297","7.6651","0.0004","19.0172","0.0011","16.2974","0.001","90","","98.941","0.007","90","","2346.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N3 O4 W2 -","- C23 H27 N3 O4 W2 -","- C92 H108 N12 O16 W8 -","4","1","","Ipaktschi, Junes; Mohseni-Ala, Javad; Dülmer, Ansgar; Steffens, Stefan; Wittenburg, Christian; Heck, Jürgen","Addition of Ynamines to the Tungsten η1-Vinylidene Complexes (η5-C5H5)(NO)(CO)WCC(H)R","Organometallics","2004","23","21","4902","","10.1021/om049554r","","","0.71073","MoKα","","0.0378","0.0237","","","0.0489","0.0519","","","","","","0.945","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076298","10.4644","0.0002","18.2115","0.0004","18.2169","0.0003","90","","99.277","0.001","90","","3426.23","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 Cl2 Si3 Zr -","- C30.664 H46 Cl2 Si3.336 Zr -","- C122.656 H184 Cl8 Si13.344 Zr4 -","4","1","","Bradley, Christopher A.; Flores-Torres, Samuel; Lobkovsky, Emil; Abruña, Hector D.; Chirik, Paul J.","Synthesis and Characterization of Zirconium and Iron Complexes Containing Substituted Indenyl Ligands: Evaluation of Steric and Electronic Parameters","Organometallics","2004","23","22","5332","","10.1021/om0495675","","","0.71073","MoKα","","0.0777","0.0584","","","0.1199","0.1278","","","","","","1.122","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076299","9.4665","0.0011","16.131","0.002","19.225","0.003","90","","95.829","0.004","90","","2920.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cl2 Si2 Zr -","- C28 H38 Cl2 Si2 Zr -","- C112 H152 Cl8 Si8 Zr4 -","4","1","","Bradley, Christopher A.; Flores-Torres, Samuel; Lobkovsky, Emil; Abruña, Hector D.; Chirik, Paul J.","Synthesis and Characterization of Zirconium and Iron Complexes Containing Substituted Indenyl Ligands: Evaluation of Steric and Electronic Parameters","Organometallics","2004","23","22","5332","","10.1021/om0495675","","","0.71073","MoKα","","0.0868","0.0501","","","0.1068","0.1212","","","","","","1.001","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076300","19.484","0.004","10.233","0.002","18.659","0.004","90","","118.391","0.004","90","","3272.8","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Fe Si4 -","- C30 H46 Fe Si4 -","- C120 H184 Fe4 Si16 -","4","1","","Bradley, Christopher A.; Flores-Torres, Samuel; Lobkovsky, Emil; Abruña, Hector D.; Chirik, Paul J.","Synthesis and Characterization of Zirconium and Iron Complexes Containing Substituted Indenyl Ligands: Evaluation of Steric and Electronic Parameters","Organometallics","2004","23","22","5332","","10.1021/om0495675","","","0.71073","MoKα","","0.0726","0.0542","","","0.1291","0.1373","","","","","","1.112","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076301","14.747","0.004","24.155","0.009","19.768","0.006","90","","90.541","0.01","90","","7041","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106.5 H38.75 Cl2.25 Co F6 P3 Pd -","- C106.5 H38.75 Cl2.25 Co F6 P3 Pd -","- C426 H155 Cl9 Co4 F24 P12 Pd4 -","4","1","","Song, Li-Cheng; Yu, Guang-Ao; Su, Fu-Hai; Hu, Qing-Mei","Synthetic and Structural Studies on the Transition-Metal Fullerene Complexes (η2-C60)M[(η5-Ph2PC5H4)2Ru] and (η2-C60)M[(η5-Ph2PC5H4)2Co]+(PF6)-(M = Pd, Pt) and the Related Compound {[η5-Ph2P(O)C5H4]2Co}+(PF6)-","Organometallics","2004","23","18","4192","","10.1021/om049667a","","","0.71073","MoKα","","0.1412","0.0642","","","0.1225","0.1563","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076302","14.791","0.004","24.338","0.007","19.764","0.005","90","","90.608","0.005","90","","7114","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106.5 H38.75 Cl2.25 Co F6 P3 Pt -","- C106.5 H38.75 Cl2.25 Co F6 P3 Pt -","- C426 H155 Cl9 Co4 F24 P12 Pt4 -","4","1","","Song, Li-Cheng; Yu, Guang-Ao; Su, Fu-Hai; Hu, Qing-Mei","Synthetic and Structural Studies on the Transition-Metal Fullerene Complexes (η2-C60)M[(η5-Ph2PC5H4)2Ru] and (η2-C60)M[(η5-Ph2PC5H4)2Co]+(PF6)-(M = Pd, Pt) and the Related Compound {[η5-Ph2P(O)C5H4]2Co}+(PF6)-","Organometallics","2004","23","18","4192","","10.1021/om049667a","","","0.71073","MoKα","","0.1131","0.0521","","","0.0957","0.119","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4076303","17.775","0.005","12.451","0.005","17.726","0.005","90","","90","","90","","3923","2","153","2","153","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","PdC60Me5allyl","","- C69 H20 Pd S2 -","- C69 H20 Pd S2 -","- C276 H80 Pd4 S8 -","4","1","","Kuninobu, Yoichiro; Matsuo, Yutaka; Toganoh, Motoki; Sawamura, Masaya; Nakamura, Eiichi","Nickel, Palladium, and Platinum Complexes of η5-Cyclopentadienide C60R5Ligands. Kinetic and Thermodynamic Stabilization Effects of the C60Ph5Ligand","Organometallics","2004","23","13","3259","","10.1021/om0499153","","x-ray","0.71069","MoKα","","0.0693","0.0683","","","0.1905","0.1924","","","","","","1.071","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076304","12.219","0.0005","19.458","0.0008","18.068","0.0006","90","","101.24","0.003","90","","4213.4","0.3","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","PdC60Me5metallyl","","- C70.5 H22 Pd S3 -","- C70.5 H22 Pd S3 -","- C282 H88 Pd4 S12 -","4","1","","Kuninobu, Yoichiro; Matsuo, Yutaka; Toganoh, Motoki; Sawamura, Masaya; Nakamura, Eiichi","Nickel, Palladium, and Platinum Complexes of η5-Cyclopentadienide C60R5Ligands. Kinetic and Thermodynamic Stabilization Effects of the C60Ph5Ligand","Organometallics","2004","23","13","3259","","10.1021/om0499153","","x-ray","0.71073","MoKα","","0.0751","0.069","","","0.1735","0.1827","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076305","13.585","0.007","13.591","0.005","19.257","0.009","103.033","0.003","95.96","0.002","117.024","0.002","2997","2","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C95.5 H30 Pd S5 -","- C95.5 H30 Pd S5 -","- C191 H60 Pd2 S10 -","2","1","","Kuninobu, Yoichiro; Matsuo, Yutaka; Toganoh, Motoki; Sawamura, Masaya; Nakamura, Eiichi","Nickel, Palladium, and Platinum Complexes of η5-Cyclopentadienide C60R5Ligands. Kinetic and Thermodynamic Stabilization Effects of the C60Ph5Ligand","Organometallics","2004","23","13","3259","","10.1021/om0499153","","x-ray","0.71069","MoKα","","0.0661","0.0609","","","0.1691","0.1752","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076306","13.415","0.0011","21.37","0.0012","21.159","0.0016","65.206","0.003","80.338","0.003","78.855","0.004","5377.1","0.7","153","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","PdC60Ph5metallyl","","- C94.25 H32 Pd S0.5 -","- C94.25 H32 Pd S0.5 -","- C377 H128 Pd4 S2 -","4","2","","Kuninobu, Yoichiro; Matsuo, Yutaka; Toganoh, Motoki; Sawamura, Masaya; Nakamura, Eiichi","Nickel, Palladium, and Platinum Complexes of η5-Cyclopentadienide C60R5Ligands. Kinetic and Thermodynamic Stabilization Effects of the C60Ph5Ligand","Organometallics","2004","23","13","3259","","10.1021/om0499153","","x-ray","0.71073","MoKα","","0.1114","0.0811","","","0.2118","0.2541","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083983","19.2002","0.0011","12.8053","0.0007","23.2887","0.0013","90","","110.996","0.001","90","","5345.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B F3 Mo N9 O4 S -","- C20 H25 B F3 Mo N9 O4 S -","- C160 H200 B8 F24 Mo8 N72 O32 S8 -","8","2","","Mocella, Christopher J.; Delafuente, David A.; Keane, Joseph M.; Warner, Gretchen R.; Friedman, Lee A.; Sabat, Michal; Harman, W. Dean","Coordination Chemistry and Properties of Unusually π-Basic Molybdenum Fragments","Organometallics","2004","23","16","3772","","10.1021/om049795z","","","0.71073","MoKα","","0.1046","0.0627","","","0.1462","0.1665","","","","","","0.998","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083984","11.128","0.0018","11.1646","0.0018","13.098","0.002","84.261","0.003","84.977","0.003","80.62","0.003","1593.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N P2 Rh -","- C38 H36 N P2 Rh -","- C76 H72 N2 P4 Rh2 -","2","1","","Krug, Christopher; Hartwig, John F.","Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions","Organometallics","2004","23","20","4594","4607","10.1021/om0496582","","","0.71073","MoKα","","0.057","0.0435","","","0.1012","0.1066","","","","","","1.085","","","","has coordinates","219033","2020-10-21","18:00:00",""
"4083985","20.443","0.004","13.454","0.003","20.069","0.004","90","","110.31","0.03","90","","5177","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H59 N2 O2 P2 Rh -","- C61 H51 N2 O2 P2 Rh -","- C244 H204 N8 O8 P8 Rh4 -","4","1","","Krug, Christopher; Hartwig, John F.","Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions","Organometallics","2004","23","20","4594","4607","10.1021/om0496582","","","0.71073","MoKα","","0.1024","0.0505","","","0.1052","0.1209","","","","","","1.017","","","","has coordinates,has disorder","219033","2020-10-21","18:00:00",""
"4083986","14.72","0.003","29.946","0.006","18.379","0.004","90","","98.62","0.03","90","","8010","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 N O P2 Rh -","- C48 H44 N O P2 Rh -","- C384 H352 N8 O8 P16 Rh8 -","8","1","","Krug, Christopher; Hartwig, John F.","Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions","Organometallics","2004","23","20","4594","4607","10.1021/om0496582","","","0.71073","MoKα","","0.1402","0.0555","","","0.0916","0.1125","","","","","","1","","","","has coordinates","219033","2020-10-21","18:00:00",""
"4083987","19.546","0.004","16.098","0.001","26.168","0.006","90","","90","","90","","8234","3","1.5","0.5","1.5","0.5","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H103 Al2 Li9 N12 -","- C86 H103 Al2 Li9 N12 -","- C344 H412 Al8 Li36 N48 -","4","0.5","","Boss, Sally R.; Cole, Jacqueline M.; Haigh, Robert; Snaith, Ronald; Wheatley, Andrew E. H.; McIntyre, Garry J.; Raithby, Paul R.","Hydride Encapsulation by a Molecular Main-Group-Metal Cluster: Single-Crystal Neutron Diffraction Structure of [{Ph(2-C5H4N)N}6HLi8]+","Organometallics","2004","23","20","4527","","10.1021/om049661l","","","","neutrons(polychromatic)","","0.1266","0.0972","","","0.13","0.134","","","","","","1.94","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083988","19.546","0.004","16.098","0.001","26.168","0.006","90","","90","","90","","8234","3","180","0.5","180","0.5","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H103 Al2 Li9 N12 -","- C86 H103 Al2 Li9 N12 -","- C344 H412 Al8 Li36 N48 -","4","0.5","","Boss, Sally R.; Cole, Jacqueline M.; Haigh, Robert; Snaith, Ronald; Wheatley, Andrew E. H.; McIntyre, Garry J.; Raithby, Paul R.","Hydride Encapsulation by a Molecular Main-Group-Metal Cluster: Single-Crystal Neutron Diffraction Structure of [{Ph(2-C5H4N)N}6HLi8]+","Organometallics","2004","23","20","4527","","10.1021/om049661l","","","","neutrons(polychromatic)","","0.2139","0.1723","","","0.1967","0.2042","","","","","","2.122","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083989","12.3626","0.0003","15.8246","0.0004","13.6358","0.0004","90","","96.4499","0.001","90","","2650.73","0.12","183.2","","183.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 F6 N4 P Rh -","- C24 H38 F6 N4 P Rh -","- C96 H152 F24 N16 P4 Rh4 -","4","1","","Mata, José A.; Chianese, Anthony R.; Miecznikowski, John R.; Poyatos, Macarena; Peris, Eduardo; Faller, Jack W.; Crabtree, Robert H.","Reactivity Differences in the Syntheses of Chelating N-Heterocyclic Carbene Complexes of Rhodium Are Ascribed to Ligand Anisotropy","Organometallics","2004","23","6","1253","","10.1021/om034240+","","","0.7107","MoKα","","0.0973","0.038","","0.076","","0.038","","","1.747","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083990","12.0135","0.0002","10.905","0.0002","19.7784","0.0004","90","","103.371","0.001","90","","2520.87","0.08","183.2","","183.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Cl N4 Rh -","- C25 H40 Cl N4 Rh -","- C100 H160 Cl4 N16 Rh4 -","4","1","","Mata, José A.; Chianese, Anthony R.; Miecznikowski, John R.; Poyatos, Macarena; Peris, Eduardo; Faller, Jack W.; Crabtree, Robert H.","Reactivity Differences in the Syntheses of Chelating N-Heterocyclic Carbene Complexes of Rhodium Are Ascribed to Ligand Anisotropy","Organometallics","2004","23","6","1253","","10.1021/om034240+","","","0.7107","MoKα","","0.0636","0.031","","0.049","","0.031","","","1.418","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083991","8.0673","0.0002","17.9244","0.0005","17.2088","0.0005","90","","92.3168","0.0011","90","","2486.38","0.12","183.2","","183.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 F6 N4 O2 P Rh -","- C20 H30 F6 N4 O2 P Rh -","- C80 H120 F24 N16 O8 P4 Rh4 -","4","1","","Mata, José A.; Chianese, Anthony R.; Miecznikowski, John R.; Poyatos, Macarena; Peris, Eduardo; Faller, Jack W.; Crabtree, Robert H.","Reactivity Differences in the Syntheses of Chelating N-Heterocyclic Carbene Complexes of Rhodium Are Ascribed to Ligand Anisotropy","Organometallics","2004","23","6","1253","","10.1021/om034240+","","","0.7107","MoKα","","0.0711","0.037","","0.046","","0.04","","","1.17","","","1.31","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083992","9.353","0.001","15.634","0.001","32.792","0.004","90","","98.174","0.008","90","","4746.3","0.8","150.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Fe4 O2 -","- C28 H30 Fe4 O2 -","- C224 H240 Fe32 O16 -","8","2","","Okazaki, Masaaki; Ohtani, Takeo; Takano, Masato; Ogino, Hiroshi","Stepwise Reduction of Four Carbonyl Ligands in (η5-C5H4Me)4Fe4(μ3-CO)4To Produce Clusters Containing μ3-Methylidyne and/or Acetylene Ligands","Organometallics","2004","23","17","4055","","10.1021/om049606c","","","0.7107","MoKα","","","0.0376","","","","0.0426","","","","","","0.821","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4086445","14.124","0.001","17.805","0.001","20.02","0.002","90.266","0.006","105.679","0.006","107.488","0.006","4603","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H88 F4 Ga4 O8 Si8 -","- C76 H88 F4 Ga4 O8 Si8 -","- C152 H176 F8 Ga8 O16 Si16 -","2","1","","Uhl, Werner; Fick, Anna-Christina; Spies, Thomas; Geiseler, Gertraud; Harms, Klaus","Gallium‒Gallium Bonds as Key Building Blocks for the Formation of Large Organometallic Macrocycles, on the Way to a Mesoporous Molecule","Organometallics","2004","23","1","72","75","10.1021/om0306170","","","0.71073","MoKα","","0.1056","0.0725","","","0.2082","0.2198","","","","","","1.296","","","","has coordinates,has disorder","181331","2020-10-21","18:00:00",""
"4086446","9.6188","0.0008","17.8307","0.0009","20.3154","0.0013","90","","98.378","0.009","90","","3447.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H106 Ga2 O4 Si8 -","- C52 H106 Ga2 O4 Si8 -","- C104 H212 Ga4 O8 Si16 -","2","0.5","","Uhl, Werner; Fick, Anna-Christina; Spies, Thomas; Geiseler, Gertraud; Harms, Klaus","Gallium‒Gallium Bonds as Key Building Blocks for the Formation of Large Organometallic Macrocycles, on the Way to a Mesoporous Molecule","Organometallics","2004","23","1","72","75","10.1021/om0306170","","","0.71073","MoKα","","0.0766","0.0421","","","0.0905","0.0979","","","","","","1.009","","","","has coordinates","181331","2020-10-21","18:00:00",""
"4087351","9.835","0.0009","16.6544","0.0013","32.621","0.004","90","","102.767","0.012","90","","5211.1","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(DME)potassium 2,3,4,5-tetraethylarsolide","","","- C44 H80 As3 K3 O4 -","- C44 H80 As3 K3 O4 -","- C176 H320 As12 K12 O16 -","4","1","","Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich","Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium","Organometallics","2004","23","14","3417","3424","10.1021/om049767g","","","0.71073","MoKα","","0.0871","0.0467","","","0.1002","0.1119","","","","","","0.894","","","","has coordinates,has disorder","209875","2020-10-21","18:00:00",""
"4087352","14.01","0.001","13.257","0.001","17.697","0.001","90","","98.59","0.01","90","","3250","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 Mn N2 -","- C37 H46 Mn N2 -","- C148 H184 Mn4 N8 -","4","1","","Chai, Jianfang; Zhu, Hongping; Roesky, Herbert W.; Yang, Zhi; Jancik, Vojtech; Herbst-Irmer, Regine; Schmidt, Hans-Georg; Noltemeyer, Mathias","Synthesis and Structure of Allyl and Alkynyl Complexes of Manganese(II) Supported by a Bulky β-Diketiminate Ligand","Organometallics","2004","23","21","5003","5006","10.1021/om049605k","","","1.54178","CuKα","","0.0503","0.0356","","","0.0803","0.086","","","","","","1.049","","","","has coordinates","209972","2020-10-21","18:00:00",""
"4100747","6.4552","0.0008","14.6777","0.0018","11.1916","0.0014","90","","102.127","0.003","90","","1036.7","0.2","180","2","180","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N2 O2 Ru S -","- C22 H23 Cl N2 O2 Ru S -","- C44 H46 Cl2 N4 O4 Ru2 S2 -","2","1","","Jérôme Hannedouche; Guy J. Clarkson; Martin Wills","A New Class of ""Tethered"" Ruthenium(II) Catalyst for Asymmetric Transfer Hydrogenation Reactions","Journal of the American Chemical Society","2004","126","","986","987","10.1021/ja0392768","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100748","10.627","0.001","12.109","0.001","10.746","0.001","90","","113.193","0.001","90","","1271.2","0.2","118.2","","118.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H45 N Zr -","- C29 H45 N Zr -","- C58 H90 N2 Zr2 -","2","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100749","10.875","0.001","14.488","0.002","16.803","0.002","90","","93.866","0.002","90","","2641.3","0.6","123.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 N Si Zr -","- C28 H45 N Si Zr -","- C112 H180 N4 Si4 Zr4 -","4","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100750","9.4742","0.0004","13.8006","0.0006","19.2257","0.0008","90","","101.227","0.001","90","","2465.6","0.2","153.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 N Zr -","- C29 H38 N2 Zr -","- C116 H152 N8 Zr4 -","4","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100751","17.318","0.001","8.644","0.0006","33.192","0.002","89","","89","","90","","4968","1","123.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H33 F5 N2 Zr -","- C29 H33 F5 N2 Zr -","- C232 H264 F40 N16 Zr8 -","8","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100752","17.435","0.002","19.005","0.002","20.564","0.002","102.42","0.01","100.449","0.01","94.71","0.01","6491.9","1.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C261 H166 N34 O36 -","- C279 H262 N33 O35 -","- C279 H262 N33 O35 -","1","1","","Hua Jiang; Christel Dolain; Jean-Michel Léger; Heinz Gornitzka; Ivan Huc","Switching of Chiral Induction in Helical Aromatic Oligoamides Using Solid State-Solution State Equilibrium","Journal of the American Chemical Society","2004","126","","1034","1035","10.1021/ja039511m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100753","40.652","0.008","40.652","0.008","14.256","0.004","90","","90","","120","","20403","8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H61 N4 O3 Si4 U -","- C32.5 H54 N4 O3 Si4 U -","- C585 H972 N72 O54 Si72 U18 -","18","1","","Mark J. Sarsfield; Madeleine Helliwell","Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen","Journal of the American Chemical Society","2004","126","","1036","1037","10.1021/ja039101y","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100754","13.4316","0.001","15.6084","0.0012","17.2314","0.0013","112.095","0.001","93.246","0.001","112.454","0.001","3007.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H58.5 B F15 N4 O2 Si4 U -","- C54.5 H58.5 B F15 N4 O2 Si4 U -","- C109 H117 B2 F30 N8 O4 Si8 U2 -","2","1","","Mark J. Sarsfield; Madeleine Helliwell","Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen","Journal of the American Chemical Society","2004","126","","1036","1037","10.1021/ja039101y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100755","7.9334","0.0016","35.541","0.008","13.126","0.003","90","","90.061","0.004","90","","3700.9","1.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O5 S -","- C20 H15 Br O5 S -","- C160 H120 Br8 O40 S8 -","8","4","","J. Adam McCubbin; Xia Tong; Ruiyao Wang; Yue Zhao; Victor Snieckus; Robert P. Lemieux","Directed Metalation Route to Ferroelectric Liquid Crystals with a Chiral Fluorenol Core: The Effect of Restricted Rotation on Polar Order","Journal of the American Chemical Society","2004","126","","1161","1167","10.1021/ja038920f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100756","9.933","0.009","16.926","0.016","16.484","0.015","90","","105.77","0.02","90","","2667","4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 F3 O3 P Pd S -","- C25 H38 F3 O3 P Pd S -","- C100 H152 F12 O12 P4 Pd4 S4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100757","8.7046","0.0017","17.837","0.004","12.781","0.003","90","","93.54","0.03","90","","1980.6","0.7","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Br P Pd -","- C18 H32 Br P Pd -","- C72 H128 Br4 P4 Pd4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100758","15.38","0.003","18.945","0.004","17.221","0.003","90","","116.14","0.03","90","","4504.4","1.6","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Br Fe P Pd -","- C54 H52 Br Fe P Pd -","- C216 H208 Br4 Fe4 P4 Pd4 -","4","1","","James P. Stambuli; Christopher D. Incarvito; Michael Bühl; John F. Hartwig","Synthesis, Structure, Theoretical Studies, and Ligand Exchange Reactions of Monomeric, T-Shaped Arylpalladium(II) Halide Complexes with an Additional, Weak Agostic Interaction","Journal of the American Chemical Society","2004","126","","1184","1194","10.1021/ja037928m","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100759","12.7858","0.0005","21.2972","0.0008","5.1864","0.0002","90","","90","","90","","1412.27","0.09","104","2","104","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H16 Cu Mn N2 O11 -","- C7 H16 Cu Mn N2 O11 -","- C28 H64 Cu4 Mn4 N8 O44 -","4","0.5","","Sébastien Pillet; Mohamed Souhassou; Corine Mathonière; Claude Lecomte","Electron Density Distribution of an Oxamato Bridged Mn(II)-Cu(II) Bimetallic Chain and Correlation to Magnetic Properties","Journal of the American Chemical Society","2004","126","","1219","1228","10.1021/ja030279u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100760","8.0836","0.0004","8.643","0.0004","14.6083","0.0007","88.564","0.002","86.5951","0.0018","85.039","0.002","1014.84","0.08","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C11 H19 Cl2 F3 N3 O3 P S Si -","- C11 H19 Cl2 F3 N3 O3 P S Si -","- C22 H38 Cl4 F6 N6 O6 P2 S2 Si2 -","2","1","","Eric Rivard; Keith Huynh; Alan J. Lough; Ian Manners","Donor-Stabilized Cations and Imine Transfer from N-Silylphosphoranimines","Journal of the American Chemical Society","2004","126","","2286","2287","10.1021/ja039549z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100761","9.6148","0.0019","14.361","0.003","15.621","0.003","90","","91.421","0.001","90","","2156.2","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl N O4 -","- C25 H26 Cl N O4 -","- C100 H104 Cl4 N4 O16 -","4","1","","Patrick D. Pohlhaus; Roy K. Bowman; Jeffrey S. Johnson","Lewis Acid-Promoted Carbon-Carbon Bond Cleavage of Aziridines: Divergent Cycloaddition Pathways of the Derived Ylides","Journal of the American Chemical Society","2004","126","","2294","2295","10.1021/ja0397963","","","","","","","0.047","","","0.055","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100762","8.7338","0.0012","12.7194","0.0017","18.17","0.002","90","","90","","90","","2018.5","0.5","218","2","218","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 F5 I Ir P -","- C16 H24 F5 I Ir P -","- C64 H96 F20 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)","Journal of the American Chemical Society","2004","126","","2308","2309","10.1021/ja031598o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100763","14.8099","0.0008","10.7468","0.0006","12.6011","0.0007","90","","110.006","0.0011","90","","1884.56","0.18","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F4 Ir P -","- C17 H24 F4 Ir P -","- C68 H96 F16 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)","Journal of the American Chemical Society","2004","126","","2308","2309","10.1021/ja031598o","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100764","18.4013","0.0007","12.0982","0.0005","22.3482","0.0008","90","","90","","90","","4975.2","0.3","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H57 Cl N2 P2 Ru -","- C58.994 H56.994 Cl N2 P2 Ru -","- C235.976 H227.976 Cl4 N8 P8 Ru4 -","4","1","","Christine Bibal; Maren Pink; Yegor D. Smurnyy; John Tomaszewski; Kenneth G. Caulton","Multifunctional Behavior by a Bis-(phosphinimino)methanide Ligand: η2- vs η3-coordination vs Bronsted Basicity","Journal of the American Chemical Society","2004","126","","2312","2313","10.1021/ja039711y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100765","8.029","0.0016","11.253","0.002","20.472","0.004","90","","105.38","0.03","90","","1783.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-[(NH3)2Pt(1,9-DimeAH-N7)2](ClO4)4*4H2O","","","- C14 H26 Cl4 N12 O20 Pt -","- C14 H26 Cl4 N12 O20 Pt -","- C28 H52 Cl8 N24 O40 Pt2 -","2","0.5","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100766","13.026","0.003","21.698","0.004","19.871","0.004","90","","96.78","0.03","90","","5577","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-[(NH3)2Pt(1,9-DimeAH-N7)(1,9-DimeA-N7)](ClO4)3*1.5H2O","","","- C14 H25 Cl3 N12 O13.5 Pt -","- C14 H25 Cl3 N12 O13.5 Pt -","- C112 H200 Cl24 N96 O108 Pt8 -","8","2","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100767","8.427","0.0017","12.633","0.003","13.015","0.003","101.34","0.03","100.41","0.03","101.76","0.03","1294.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-[(NH3)2Pt(1,9-DimeA-N7)2](ClO4)2*H2O","","","- C14 H26 Cl2 N12 O9 Pt -","- C14 H26 Cl2 N12 O9 Pt -","- C28 H52 Cl4 N24 O18 Pt2 -","2","1","","Michael Roitzsch; Bernhard Lippert","Metal Coordination and Imine-Amine Hydrogen Bonding as the Source of Strongly Shifted Adenine pKa Values","Journal of the American Chemical Society","2004","126","","2421","2424","10.1021/ja038834f","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100768","12.807","0.002","15.541","0.002","12.621","0.001","109.209","0.004","109.749","0.005","80.477","0.005","2228.5","0.4","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H43 N8 O10 P Zn2 -","- C46 H41 N7 O7 P Zn2 -","- C92 H82 N14 O14 P2 Zn4 -","2","1","","Akio Ojida; Yasuko Mito-oka; Kazuki Sada; Itaru Hamachi","Molecular Recognition and Fluorescence Sensing of Monophosphorylated Peptides in Aqueous Solution by Bis(zinc(II)-dipicolylamine)-Based Artificial Receptors","Journal of the American Chemical Society","2004","126","","2454","2463","10.1021/ja038277x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100769","26.4164","0.0005","26.4164","0.0005","13.6104","0.0002","90","","90","","120","","8225.2","0.3","150","1","150","1","","","","","","","","5","P 63","P 6c","173","","","","- C132 H234 O21 P12 Pt6 -","- C132 H216 O21.03 P12 Pt6 -","- C264 H432 O42.06 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100770","26.2312","0.0009","26.2312","0.0009","14.5061","0.0005","90","","90","","120","","8644.1","0.5","150","1","150","1","","","","","","","","6","P 63","P 6c","173","","","","- C140 H218 Cl6 O12 P12 Pt6 -","- C139.99 H217.99 Cl5.97 O12 P12 Pt6 -","- C279.98 H435.98 Cl11.94 O24 P24 Pt12 -","2","0.333333","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100771","65.582","0.0013","13.9473","0.0003","18.5091","0.0004","90","","96.5331","0.0008","90","","16820.2","0.6","150","1","150","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C95 H147 Cl9 O8 P8 Pt4 -","- C95 H147 Cl9 O8 P8 Pt4 -","- C570 H882 Cl54 O48 P48 Pt24 -","6","1.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100772","17.2967","0.0002","21.7453","0.0002","26.3952","0.0003","90","","90","","90","","9927.81","0.19","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H146 N2 O10 P8 Pt4 -","- C90 H146 N2 O10 P8 Pt4 -","- C360 H584 N8 O40 P32 Pt16 -","4","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100773","12.293","0.0002","13.3346","0.0002","18.4568","0.0003","83.6936","0.0011","82.6978","0.0009","63.396","0.001","2678.43","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C90 H146 Cl6 O8 P8 Pt4 -","- C90 H146 Cl6 O8 P8 Pt4 -","- C90 H146 Cl6 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100774","10.1898","0.0001","17.496","0.0004","20.0771","0.0004","65.8038","0.0009","89.45","0.0012","88.8228","0.0013","3264.21","0.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C108 H156 Cl12 O8 P8 Pt4 -","- C108 H156 Cl12 O8 P8 Pt4 -","- C108 H156 Cl12 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100775","10.237","0.0003","15.5079","0.0004","21.7184","0.0007","110.764","0.0015","92.4544","0.0021","102.612","0.0018","3118.72","0.16","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C107 H155 Cl9 N4 O8 P8 Pt4 -","- C107 H155 Cl9 N4 O8 P8 Pt4 -","- C107 H155 Cl9 N4 O8 P8 Pt4 -","1","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100776","40.5363","0.0008","7.6077","0.0001","10.7656","0.0002","90","","96.553","0.002","90","","3298.29","0.1","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","2","","Svetlana A. Burova; Frank E. McDonald","Total Synthesis of the Polyene-Polyol Macrolide RK-397, Featuring Cross-Couplings of Alkynylepoxide Modules","Journal of the American Chemical Society","2004","126","","2495","2500","10.1021/ja039618+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100777","16.827","0.003","11.191","0.002","34.119","0.007","90","","99.31","0.03","90","","6340","2","301","2","301","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 Cl3 F6 N4 P Ru -","- C25 H44 Cl3 F6 N4 P Ru -","- C200 H352 Cl24 F48 N32 P8 Ru8 -","8","2","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100778","10.599","0.002","9.24","0.0018","18.651","0.004","90","","93.14","0.03","90","","1823.8","0.6","301","2","301","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H50 Cl3 F6 N4 P Ru -","- C32 H50 Cl3 F6 N4 P Ru -","- C64 H100 Cl6 F12 N8 P2 Ru2 -","2","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100779","8.875","0.002","11.351","0.002","33.375","0.007","90","","90","","90","","3362.2","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 Cl F6 N4 P Ru -","- C31 H46 Cl F6 N4 P Ru -","- C124 H184 Cl4 F24 N16 P4 Ru4 -","4","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100780","14.517","0.003","31.896","0.006","10.38","0.002","90","","133.14","0.03","90","","3507.1","1.2","301","2","301","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 Cl F6 N4 P Ru -","- C33 H50 Cl F6 N4 P Ru -","- C132 H200 Cl4 F24 N16 P4 Ru4 -","4","0.5","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178753","2020-10-21","18:00:00",""
"4100781","15.7889","0.0011","18.3915","0.0012","19.4754","0.0013","71.026","0.001","73.109","0.001","89.8","0.001","5091.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H127 Co N7 Si -","- C123 H118 Co N7 Si -","- C246 H236 Co2 N14 Si2 -","2","1","","Bobby Ramdhanie; Joshua Telser; Andrea Caneschi; Lev N. Zakharov; Arnold L. Rheingold; David P. Goldberg","An Example of O2 Binding in a Cobalt(II) Corrole System and High-Valent Cobalt-Cyano and Cobalt-Alkynyl Complexes","Journal of the American Chemical Society","2004","126","","2515","2525","10.1021/ja036983s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100782","9.6251","0.0017","10.1925","0.0018","15.986","0.003","84.335","0.003","78.348","0.004","89.358","0.003","1528.4","0.5","496","2","496","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H27 N9 O13 Pt2 -","- C15 H27 N9 O13 Pt2 -","- C30 H54 N18 O26 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100783","9.6133","0.0006","10.0893","0.0007","17.1561","0.0011","106.867","0.001","100.741","0.001","93.34","0.001","1553.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H43 N9 O13.5 Pt2 -","- C13 N9 O12 Pt2 -","- C26 N18 O24 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100784","9.5166","0.0015","10.1385","0.0017","16.124","0.003","84.358","0.003","78.82","0.003","88.152","0.003","1518.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H41 N10 O17 Pt2 -","- C15 N9 O13 Pt2 -","- C30 N18 O26 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100785","9.4625","0.0004","10.0973","0.0004","30.1278","0.0012","90","","96.449","0.001","90","","2860.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H39 N9 O13 Pt2 -","- C14 N9 O13 Pt2 -","- C56 N36 O52 Pt8 -","4","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","178753","2020-10-21","18:00:00",""
"4100786","9.807","0.008","10.045","0.008","14.724","0.011","88.363","0.014","82.96","0.012","84.854","0.014","1433.5","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H39 N9 O12 Pt2 -","- C14 N9 O12 Pt2 -","- C28 N18 O24 Pt4 -","2","1","","Masahiko Ochiai; Yong-Shou Lin; Jun Yamada; Hanae Misawa; Saiko Arai; Kazuko Matsumoto","Reactions of a Platinum(III) Dimeric Complex with Alkynes in Water: Novel Approach to α-Aminoketone, α-Iminoketone, and α,β-Diimine via Ketonyl-Pt(III) Dinuclear Complexes","Journal of the American Chemical Society","2004","126","","2536","2545","10.1021/ja0302634","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100787","10.134","0.001","10.2","0.001","19.395","0.001","90","","90","","90","","2004.8","0.3","120","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H27 F6 N5 O5 P2 Ru -","- C6 H27 F6 N5 O5 P2 Ru -","- C24 H108 F24 N20 O20 P8 Ru4 -","4","1","","Rose Maria Carlos; Daniel Rodrigues Cardoso; Eduardo Ernesto Castellano; Renata Zachi Osti; Ademir João Camargo; Luis Guilherme Macedo; Douglas Wagner Franco","Reactivity of Radicals Generated on Irradiation of trans-[Ru(NH3)4(NO2)P(OEt)3](PF6)","Journal of the American Chemical Society","2004","126","","2546","2555","10.1021/ja0373263","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100788","15.458","0.003","14.22","0.003","14.245","0.003","90","","99.84","0.01","90","","3085.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H24 Gd0.5 N2 Na0.5 O7 -","- C11 H24 Gd0.5 N2 Na0.5 O7 -","- C88 H192 Gd4 N16 Na4 O56 -","8","1","","Weisheng Liu; Tianquan Jiao; Yizhi Li; Quanzhong Liu; Minyu Tan; Hong Wang; Liufang Wang","Lanthanide Coordination Polymers and Their Ag±Modulated Fluorescence","Journal of the American Chemical Society","2004","126","","2280","2281","10.1021/ja036635q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100789","10.1889","0.0013","11.05","0.003","19.46","0.002","87.09","0.03","77.37","0.02","89.02","0.02","2135.1","0.7","93.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Kohtaro Osakada","Formation of Pseudorotaxane Induced by Electrochemical Oxidation of Ferrocene-Containing Axis Molecule in the Presence of Crown Ether","Journal of the American Chemical Society","2004","126","","3684","3685","10.1021/ja039899l","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100790","10.5206","0.0008","19.82","0.002","13.2299","0.0002","90","","101.937","0.0003","90","","2699","0.3","295.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 B N7 O2 Ru -","- C27 H26 B N7 O2 Ru -","- C108 H104 B4 N28 O8 Ru4 -","4","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100791","24.981","0.004","14.817","0.002","15.9869","0.0004","90","","114.257","0.0008","90","","5395","1","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 B N7 O2 Ru -","- C27 H26 B N7 O2 Ru -","- C216 H208 B8 N56 O16 Ru8 -","8","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100792","9.163","0.002","12.631","0.003","13.078","0.003","76.4","0.01","89.411","0.003","78.864","0.002","1442.5","0.6","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 B N7 O4 Ru -","- C27 H24 B N7 O4 Ru -","- C54 H48 B2 N14 O8 Ru2 -","2","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100793","23.365","0.004","10.161","0.0008","23.375","0.001","90","","101.44","0.001","90","","5439","1","295.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 B N7 O2 Ru -","- C25 H22 B N7 O2 Ru -","- C200 H176 B8 N56 O16 Ru8 -","8","1","","Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi","Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products","Journal of the American Chemical Society","2004","126","","3706","3707","10.1021/ja039365k","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100794","9.7951","0.0009","15.3104","0.0013","18.4426","0.0017","101.362","0.002","104.892","0.002","92.428","0.002","2607.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N8 O10 -","- C52 H56 N8 O10 -","- C104 H112 N16 O20 -","2","1","","Yoshihiko Yamamoto; Jun-ichi Ishii; Hisao Nishiyama; Kenji Itoh","Ru(II)-Catalyzed Chemo- and Regioselective Cyclotrimerization of Three Unsymmetrical Alkynes through Boron Temporary Tether. One-Pot Four-Component Coupling via Cyclotrimerization/Suzuki-Miyaura Coupling","Journal of the American Chemical Society","2004","126","","3712","3713","10.1021/ja049673y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100795","9.7618","0.001","11.1373","0.0012","13.994","0.002","75.116","0.007","88.385","0.005","81.432","0.004","1453.9","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N O3 Si -","- C35 H27 N O3 Si -","- C70 H54 N2 O6 Si2 -","2","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100796","12.16","0.0009","8.938","0.0007","27.063","0.002","90","","95.257","0.004","90","","2929","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N O Si -","- C36 H27 N O Si -","- C144 H108 N4 O4 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100797","12.8027","0.0003","12.3508","0.0003","19.4729","0.0005","90","","104.243","0.002","90","","2984.48","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N2 O2 Si -","- C36 H30 N2 O2 Si -","- C144 H120 N8 O8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100798","13.56","0.001","11.1079","0.0009","20.257","0.002","90","","97.208","0.004","90","","3027.1","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 N2 Si -","- C37 H30 N2 Si -","- C148 H120 N8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100799","21.4414","0.0002","14.376","0.0003","9.1017","0.0005","90","","90","","90","","2805.52","0.17","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H26 N2 O2 Si -","- C34 H26 N2 O2 Si -","- C136 H104 N8 O8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100800","21.8115","0.0004","14.0448","0.0002","9.2118","0.0001","90","","90","","90","","2821.93","0.07","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H26 N2 Si -","- C35 H26 N2 Si -","- C140 H104 N8 Si4 -","4","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100801","41.7907","0.0009","7.5006","0.0001","17.4735","0.0003","90","","90","","90","","5477.16","0.17","293","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C35 H28 O Si -","- C35 H28 O Si -","- C280 H224 O8 Si8 -","8","1","","A. J. Boydston; Youshi Yin; Brian L. Pagenkopf","Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles","Journal of the American Chemical Society","2004","126","","3724","3725","10.1021/ja049758z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100802","10.425","0.002","10.502","0.002","10.984","0.002","76.11","0.03","83.4","0.03","66.3","0.03","1068.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br2 N4 O4 -","- C20 H22 Br2 N4 O4 -","- C40 H44 Br4 N8 O8 -","2","1","","Phil S. Baran; Alexandros L. Zografos; Daniel P. O'Malley","Short Total Synthesis of (\±)-Sceptrin","Journal of the American Chemical Society","2004","126","","3726","3727","10.1021/ja049648s","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100803","20.363","0.002","19.4145","0.0019","13.8696","0.0013","90","","94.4","0.002","90","","5466.9","0.9","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Fe2 N8 Ru2 -","- C60 H62 Fe2 N8 Ru2 -","- C240 H248 Fe8 N32 Ru8 -","4","1","","Guo-Lin Xu; Maria C. DeRosa; Robert J. Crutchley; Tong Ren","trans-Bis(alkynyl) Diruthenium(III) Tetra(amidinate): An Effective Facilitator of Electronic Delocalization","Journal of the American Chemical Society","2004","126","","3728","3729","10.1021/ja049915u","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100804","9.9354","0.001","11.882","0.002","12.041","0.002","90","","115.247","0.011","90","","1285.7","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 O4 -","- C11 H20 O4 -","- C44 H80 O16 -","4","1","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100805","6.17","0.0009","9.9686","0.0015","12.025","0.003","90","","118.864","0.016","90","","647.7","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O4 -","- C12 H22 O4 -","- C24 H44 O8 -","2","0.5","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100806","12.488","0.002","11.018","0.002","11.207","0.002","90","","112.319","0.01","90","","1426.5","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","","A. Tessa ten Cate; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E.W. Meijer","Conformational control in cyclization of hydrogen-bonded supramolecular polymers","Journal of the American Chemical Society","2004","126","","3801","3808","10.1021/ja039408x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100807","18.3004","0.0006","10.759","0.003","11.458","0.002","90","","90","","90","","2255.9","0.8","223.2","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 Co N8 O8 -","- C22 H18 Co N8 O8 -","- C88 H72 Co4 N32 O32 -","4","0.5","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100808","10.481","0.007","19.03","0.01","10.894","0.008","90","","90","","90","","2172","2","293.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H16 Br2 Co N6 O2 -","- C22 H16 Br2 Co N6 O2 -","- C88 H64 Br8 Co4 N24 O8 -","4","0.25","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100809","11.115","0.003","22.046","0.007","9.717","0.003","90","","100.834","0.007","90","","2338","1","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 Co N8 O6 S2 -","- C40 H26 Co N8 O6 S2 -","- C80 H52 Co2 N16 O12 S4 -","2","0.5","","Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito","A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","3817","3828","10.1021/ja039914m","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100810","7.1177","0.0001","15.9835","0.0003","12.2135","0.0002","90","","100.343","0.001","90","","1366.9","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100811","7.18","0.0001","16.0048","0.0003","12.2543","0.0002","90","","100.671","0.001","90","","1383.84","0.04","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100812","7.2913","0.0001","16.0408","0.0003","12.3333","0.0002","90","","101.273","0.001","90","","1414.65","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100813","8.0343","0.0002","12.1631","0.0003","12.5018","0.0003","90","","94.9","0.002","90","","1217.24","0.05","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100814","8.0461","0.0002","12.1734","0.0002","12.5136","0.0003","90","","94.872","0.0007","90","","1221.26","0.05","125","","125","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100815","8.0738","0.0002","12.1896","0.0002","12.5397","0.0003","90","","94.782","0.0008","90","","1229.82","0.05","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100816","8.1582","0.0003","12.2379","0.0004","12.6372","0.0005","90","","94.64","0.002","90","","1257.55","0.08","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100817","10.4208","0.0001","15.3407","0.0002","19.1777","0.0003","90","","90","","90","","3065.79","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100818","10.4213","0.0001","15.3544","0.0002","19.2246","0.0003","90","","90","","90","","3076.18","0.07","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100819","10.4219","0.0001","15.3837","0.0002","19.3309","0.0003","90","","90","","90","","3099.27","0.07","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100820","10.4126","0.0002","15.4723","0.0002","19.6515","0.0004","90","","90","","90","","3165.99","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4112128","10.7686","0.0004","23.4769","0.0009","11.4898","0.0004","90","","112.759","0.001","90","","2678.61","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Lu2 N6 O2 Si8 -","- C32 H88 Lu2 N6 O2 Si8 -","- C64 H176 Lu4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller","Reduction of Dinitrogen to Planar Bimetallic M2(μ-η2:η2-N2) Complexes of Y, Ho, Tm, and Lu Using the K/Ln[N(SiMe3)2]3 Reduction System","Journal of the American Chemical Society","2004","126","","454","455","10.1021/ja036923m","","","0.71073","MoKα","","0.0235","0.0207","","","0.0448","0.0457","","","","","","1.091","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112129","10.8258","0.0004","23.5068","0.001","11.5787","0.0005","90","","112.683","0.001","90","","2718.64","0.19","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 N6 O2 Si8 Y2 -","- C32 H88 N6 O2 Si8 Y2 -","- C64 H176 N12 O4 Si16 Y4 -","2","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller","Reduction of Dinitrogen to Planar Bimetallic M2(μ-η2:η2-N2) Complexes of Y, Ho, Tm, and Lu Using the K/Ln[N(SiMe3)2]3 Reduction System","Journal of the American Chemical Society","2004","126","","454","455","10.1021/ja036923m","","","0.71073","MoKα","","0.0372","0.0286","","","0.0654","0.0689","","","","","","1.042","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112130","10.8135","0.0004","23.4721","0.0009","11.546","0.0004","90","","112.587","0.001","90","","2705.77","0.17","172","2","172","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Ho2 N6 O2 Si8 -","- C32 H88 Ho2 N6 O2 Si8 -","- C64 H176 Ho4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller","Reduction of Dinitrogen to Planar Bimetallic M2(μ-η2:η2-N2) Complexes of Y, Ho, Tm, and Lu Using the K/Ln[N(SiMe3)2]3 Reduction System","Journal of the American Chemical Society","2004","126","","454","455","10.1021/ja036923m","","","0.71073","MoKα","","0.0296","0.0223","","","0.0473","0.0501","","","","","","1.048","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112131","11.865","0.0002","15.1399","0.0003","13.5817","0.0002","90","","111.781","0.0008","90","","2265.57","0.07","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl N3 O7 Ru -","- C21 H24 Cl N3 O7 Ru -","- C84 H96 Cl4 N12 O28 Ru4 -","4","1","","Wai-Lun Man; Tsz-Man Tang; Tsz-Wing Wong; Tai-Chu Lau; Shie-Ming Peng; Wing-Tak Wong","Highly Electrophilic (Salen)ruthenium(VI) Nitrido Complexes","Journal of the American Chemical Society","2004","126","","478","479","10.1021/ja037899f","","","0.71073","MoKα","","0.0904","0.0488","","","0.1208","0.1432","","","","","","1.033","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112132","11.3517","0.0001","27.5955","0.0003","9.843","0.0001","90","","90.7092","0.0005","90","","3083.14","0.05","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 F6 N5 O2 P Ru -","- C28 H38 F6 N5 O2 P Ru -","- C112 H152 F24 N20 O8 P4 Ru4 -","4","1","","Wai-Lun Man; Tsz-Man Tang; Tsz-Wing Wong; Tai-Chu Lau; Shie-Ming Peng; Wing-Tak Wong","Highly Electrophilic (Salen)ruthenium(VI) Nitrido Complexes","Journal of the American Chemical Society","2004","126","","478","479","10.1021/ja037899f","","","0.71073","MoKα","","0.1245","0.0777","","","0.203","0.229","","","","","","1.132","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112133","16.088","","8.777","","16.756","","90","","102.5","","90","","2309.94","","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H47 N3 O11 -","- C51 H47 N3 O11 -","- C102 H94 N6 O22 -","2","1","","Jinq-Chyi Lee; Xin-An Lu; Suvarn S. Kulkarni; Yuh-Sheng Wen; Shang-Cheng Hung","Synthesis of Heparin Oligosaccharides","Journal of the American Chemical Society","2004","126","","476","477","10.1021/ja038244h","","","0.71073","MoKα","","0.1534","0.04","","","0.1101","0.1754","","","","","","0.88","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112134","12.8621","0.0004","12.8621","0.0004","12.5732","0.0005","90","","90","","90","","2080.03","0.12","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C8 H18 Li2 O2 -","- C8 H18 Li2 O2 -","- C64 H144 Li16 O16 -","8","1","","John F. Allan; Roger Nassar; Elizabeth Specht; Alicia Beatty; Nathalie Calin; Kenneth W. Henderson","Characterization of a Kinetically Stable, Highly Ordered, Octameric Form of Lithium tert-Butoxide and Its Implications Regarding Aggregate Formation","Journal of the American Chemical Society","2004","126","","484","485","10.1021/ja038420m","","","0.71073","MoKα","","0.0297","0.0295","","","0.0763","0.0765","","","","","","1.062","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112135","10.638","0.002","12.246","0.002","14.855","0.003","90.151","0.004","96.881","0.004","97.954","0.004","1902.4","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Fe(OEP-NH2)(Cl). 0.5CHCl3 0.5Methylcyclopentane","","","- C39.5 H51.5 Cl2.5 Fe N5 -","- C39.5 H51.5 Cl2.5 Fe N5 -","- C79 H103 Cl5 Fe2 N10 -","2","1","","Sankar Prasad Rath; Heather Kalish; Lechosław Latos-Grażyński; Marilyn M. Olmstead; Alan L. Balch","Facile Ring Opening of Iron(III) and Iron(II) Complexes of meso-Amino-octaethylporphyrin by Dioxygen","Journal of the American Chemical Society","2004","126","","646","654","10.1021/ja0384431","","","0.71073","MoKα","","0.1036","0.0554","","","0.1348","0.1551","","","","","","0.971","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112136","17.7079","0.0002","17.7079","0.0002","15.0264","0.0002","90","","90","","120","","4080.56","0.08","297","2","297","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C53.33 H55.33 Cl4 Cu2 Fe2 P2 S2 -","- C53.32 H55.32 Cl4 Cu2 Fe2 P2 S2 -","- C159.96 H165.96 Cl12 Cu6 Fe6 P6 S6 -","3","0.5","","Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero","Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines","Journal of the American Chemical Society","2004","126","","456","457","10.1021/ja038494y","","","1.54178","CuKα","","0.0374","0.036","","","0.0911","0.0921","","","","","","1.072","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112137","10.0002","0.0008","10.4496","0.0008","16.0871","0.001","90","","90","","90","","1681.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero","Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines","Journal of the American Chemical Society","2004","126","","456","457","10.1021/ja038494y","","","1.54178","CuKα","","0.0304","0.0296","","","0.0849","0.0859","","","","","","1.073","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112138","10.425","0.004","12.133","0.004","9.693","0.003","90.18","0.03","114.18","0.02","69.15","0.03","1030.5","0.7","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl N O5 S -","- C21 H20 Cl N O5 S -","- C42 H40 Cl2 N2 O10 S2 -","2","1","","Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba","One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds","Journal of the American Chemical Society","2004","126","","466","467","10.1021/ja038712n","","","0.7107","MoKα","","","0.0605","","","","0.1491","","","","","","2.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112139","10.403","0.002","11.939","0.002","10.139","0.002","92.52","0.01","112.46","0.01","69.16","0.01","1081.4","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl N O5 S -","- C22 H22 Cl N O5 S -","- C44 H44 Cl2 N2 O10 S2 -","2","1","","Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba","One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds","Journal of the American Chemical Society","2004","126","","466","467","10.1021/ja038712n","","","0.7107","MoKα","","","0.0641","","","","0.1544","","","","","","1.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112140","10.786","0.002","12.723","0.002","9.386","0.002","94.5","0.02","114.22","0.02","67.17","0.01","1077.6","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl N O5 S -","- C22 H22 Cl N O5 S -","- C44 H44 Cl2 N2 O10 S2 -","2","1","","Ikuya Shibata; Hirofumi Kato; Nobuaki Kanazawa; Makoto Yasuda; Akio Baba","One-Pot Synthesis of Nitrogen Heterocycles Initiated by Regio- and Diastereoselective Carbon-Carbon Bond Formation of Bifunctional Carbonyl Compounds","Journal of the American Chemical Society","2004","126","","466","467","10.1021/ja038712n","","","0.7107","MoKα","","","0.0572","","","","0.13","","","","","","1.573","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112141","17.991","0.0016","19.907","0.002","23.959","0.003","90","","90","","90","","8580.8","1.6","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C108 H69 Cl9 Si5 -","- C108 H69 Cl9 Si5 -","- C432 H276 Cl36 Si20 -","4","1","","Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura","Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection","Journal of the American Chemical Society","2004","126","","432","433","10.1021/ja038816y","","x-ray","0.71073","MoKα","","0.0787","0.0654","","","0.1697","0.1826","","","","","","1.031","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112142","31.997","","31.997","","20.178","0.0004","90","","90","","90","","20658.4","0.4","153","2","153","2","","","","","","","synthesis as described","3","I -4","I -4","82","","","","- C149 H102 Si5 -","- C149.25 H86 Si5 -","- C1194 H688 Si40 -","8","1","","Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura","Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection","Journal of the American Chemical Society","2004","126","","432","433","10.1021/ja038816y","","x-ray","0.71073","MoKα","","0.0835","0.0796","","","0.2115","0.2145","","","","","","1.059","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112143","8.7212","0.0003","9.4995","0.0004","15.4033","0.0006","100.643","0.002","96.326","0.002","100.073","0.002","1221.37","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(carbonyl)(η^4^-1,5-cycloctadiene) [1-methoxy-3-(4-methoxyphenyl)-2-propenylidene]rhodium(I) hexafluoroantimonate","","- C20 H24 F6 O3 Rh Sb -","- C20 H24 F6 O3 Rh Sb -","- C40 H48 F12 O6 Rh2 Sb2 -","2","1","","José Barluenga; Rubén Vicente; Luis A. López; Eduardo Rubio; Miguel Tomás; Carmen Álvarez-Rúa","New Fischer Carbene Complexes of Rhodium(I): Preparation and 2-Cyclopentenone Ring Synthesis by Annelation to Alkynes","Journal of the American Chemical Society","2004","126","","470","471","10.1021/ja038817q","","","1.5418","CuKα","","0.0715","0.0556","","","0.1455","0.16","","","","","","1.045","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112144","8.954","0.002","10.807","0.002","22.464","0.008","90","","90","","90","","2173.7","1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Se -","- C9 H12 N4 Se -","- C72 H96 N32 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.12","0.0694","","0.2273","0.1727","","","","1.075","1.063","1.063","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112145","8.174","0.002","10.957","0.003","23.736","0.006","90","","90","","90","","2125.9","0.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 I N Se -","- C9 H12 I N Se -","- C72 H96 I8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.0293","0.0232","","0.0611","0.0579","","","","1.095","1.121","1.121","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112146","7.723","0.002","10.9085","0.0011","23.556","0.006","90","","90","","90","","1984.5","0.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Cl N Se -","- C9 H12 Cl N Se -","- C72 H96 Cl8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.053","0.0377","","0.1182","0.1054","","","","1.093","1.138","1.138","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112147","31.4651","0.0006","31.4651","0.0007","18.8447","0.0007","90","","90","","120","","16157.6","0.8","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H16 Cl13 O4 -","- C26.9433 H2 Cl13 O4 -","- C484.98 H36 Cl234 O72 -","18","1","","Daniel Maspoch; Neus Domingo; Daniel Ruiz-Molina; Klaus Wurst; Javier Tejada; Concepció Rovira; Jaume Veciana","A Robust Nanocontainer Based on a Pure Organic Free Radical","Journal of the American Chemical Society","2004","126","","730","731","10.1021/ja038988v","","","0.71073","MoKα","","0.064","0.0461","","","0.1183","0.1271","","","","","","1.025","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112148","7.1939","0.0003","16.4714","0.0012","9.7749","0.0006","90","","111.938","0.0018","90","","1074.39","0.11","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 Br O2 -","- C11 H13 Br O2 -","- C44 H52 Br4 O8 -","4","2","","Mark Lautens; Sheldon Hiebert","Scope of Palladium-Catalyzed Alkylative Ring Opening","Journal of the American Chemical Society","2004","126","","1437","1447","10.1021/ja037550s","","","0.71073","MoKα","","0.0554","0.0532","","","0.1319","0.1347","","","","","","1.068","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112149","23.386","0.002","5.7326","0.0006","20.963","0.002","90","","97.782","0.002","90","","2784.5","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 B N2 O2 -","- C40 H28 B N2 O2 -","- C160 H112 B4 N8 O8 -","4","0.5","","S. K. Pal; M. E. Itkis; R. W. Reed; R. T. Oakley; A. W. Cordes; F. S. Tham; T. Siegrist; R. C. Haddon","Synthesis, Structure and Physical Properties of the First One-Dimensional Phenalenyl-Based Neutral Radical Molecular Conductor","Journal of the American Chemical Society","2004","126","","1478","1484","10.1021/ja037864f","","","0.71073","MoKα","","0.0524","0.0396","","","0.1027","0.1142","","","","","","1.038","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112150","15.7","0.0001","8.993","0.0001","15.705","0.0002","90","","112.5","","90","","2048.6","0.04","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound 1","","","- C12 H34 Ag B11 -","- C12 H34 Ag B11 -","- C48 H136 Ag4 B44 -","4","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0402","0.0337","","","0.0853","0.0895","","","","","","1.077","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112151","9.184","0.0001","13.617","0.0002","15.152","0.0003","111.637","0.001","95.005","0.001","100.336","0.001","1708.23","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","compound 2","","","- C30 H49 Ag B11 P -","- C30 H49 Ag B11 P -","- C60 H98 Ag2 B22 P2 -","2","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0627","0.0378","","","0.0941","0.1043","","","","","","1.017","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112152","15.127","0.0002","15.538","0.0003","17.905","0.0002","90","","113.011","0.001","90","","3873.58","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 3","","","- C30 H67 Ag B11 P -","- C30 H67 Ag B11 P -","- C120 H268 Ag4 B44 P4 -","4","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0559","0.0384","","","0.0879","0.0966","","","","","","1.012","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112153","22.846","0.0006","12.797","0.0007","31.273","0.003","90","0.002","106.366","0.003","90","0.004","8772.5","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 4","","","- C36 H61 Ag B11 P -","- C36 H61 Ag B11 P -","- C288 H488 Ag8 B88 P8 -","8","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.2944","0.1134","","","0.2786","0.3653","","","","","","1.02","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112154","20.008","0.0005","12.283","0.0004","37.481","0.0011","90","","102.378","0.002","90","","8997.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H69 Ag B11 O2 P -","- C38 H69 Ag B11 O2 P -","- C304 H552 Ag8 B88 O16 P8 -","8","2","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.1718","0.0754","","","0.1464","0.1927","","","","","","1.041","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112155","11.576","0.0002","11.576","0.0002","21.389","0.0002","90","","90","","120","","2482.21","0.06","150","2","150","2","","","","","","","","5","P 63/m","-P 6c","176","Compound 5","","","- C49 H66 Ag B11 P2 -","- C48 H66 Ag B12 P2 -","- C96 H132 Ag2 B24 P4 -","2","0.166667","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0569","0.0364","","","0.0918","0.1017","","","","","","1.036","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112156","16.037","0.003","16.263","0.003","18.351","0.003","90","","104.515","0.003","90","","4633.4","1.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H31 B F20 O Si Zr -","- C47 H31 B F20 O Si Zr -","- C188 H124 B4 F80 O4 Si4 Zr4 -","4","1","","Cristiano Zuccaccia; Nicholas G. Stahl; Alceo Macchioni; Ming-Chou Chen; John A. Roberts; Tobin J. Marks","NOE and PGSE NMR Spectroscopic Studies of Solution Structure and Aggregation in Metallocenium Ion-Pairs","Journal of the American Chemical Society","2004","126","","1448","1464","10.1021/ja0387296","","","0.71073","MoKα","","0.1196","0.0592","","","0.133","0.1584","","","","","","1.094","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112157","13.8689","0.0007","8.0185","0.0004","20.0898","0.0011","90","","90","","90","","2234.1","0.2","123","2","123","2","","","","","","","chemical synthesis","4","P b c a","-P 2ac 2ab","61","","1,4-bis(phenothiazin-10-yl)benzene","","- C30 H20 N2 S2 -","- C30 H20 N2 S2 -","- C120 H80 N8 S8 -","4","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0458","0.0408","","0.1189","0.1079","","","","1.055","1.062","1.062","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112158","7.7817","0.0006","10.2921","0.0008","10.45","0.0008","96.321","0.002","99.677","0.002","94.158","0.002","816.47","0.11","123","2","123","2","","","","","","","chemical synthesis","7","P -1","-P 1","2","","1,4-bis(phenothiazin-10-yl)benzene hexafluoroantimonate cation-radical salt dichloromethane disolvate","","- C32 H24 Cl4 F6 N2 S2 Sb -","- C32 H24 Cl4 F6 N2 S2 Sb -","- C32 H24 Cl4 F6 N2 S2 Sb -","1","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0421","0.0346","","0.0897","0.0822","","","","1.005","1.019","1.019","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112159","10.7636","0.0005","12.1947","0.0005","19.8197","0.0009","107.859","0.001","96.354","0.001","95.024","0.001","2440.56","0.19","123","2","123","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","1,2-Bis(phenothiazin-10-ylmethyl)benzene","","- C32 H24 N2 S2 -","- C32 H24 N2 S2 -","- C128 H96 N8 S8 -","4","2","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0593","0.0477","","0.1268","0.1136","","","","0.998","1.02","1.02","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112160","10.0687","0.0005","10.7149","0.0005","21.4747","0.0011","96.295","0.001","99.873","0.001","98.062","0.001","2238.6","0.19","123","2","123","2","","","","","","","chemical synthesis","6","P -1","-P 1","2","","1,2-Bis(phenothiazin-10-ylmethyl)benzene dication bis(hexachloroantimonate) salt, dichloromethane hemysolvate","","- C32.5 H25 Cl13 N2 S2 Sb2 -","- C32.5 H25 Cl13 N2 S2 Sb2 -","- C65 H50 Cl26 N4 S4 Sb4 -","2","1","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0772","0.0524","","0.1619","0.132","","","","1.004","1.04","1.04","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112161","13.8195","0.0004","13.8195","0.0004","26.189","0.002","90","","90","","90","","5001.5","0.4","123","2","123","2","","","","","","","chemical synthesis","4","I 41/a :2","-I 4ad","88","","1,2-dimethyl-4,5-bis(phenothiazin-10-yl)benzene","","- C32 H24 N2 S2 -","- C32 H24 N2 S2 -","- C256 H192 N16 S16 -","8","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0712","0.0563","","0.1631","0.1437","","","","1.021","1.047","1.047","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112162","19.303","0.001","11.2246","0.0006","20.5464","0.0011","90","","92.836","0.001","90","","4446.3","0.4","123","2","123","2","","","","","","","chemical synthesis","6","C 1 2 1","C 2y","5","","Mixed-valence (4:2) Phenothiazine Hexafluorophosphate salt","","- C48 H36 F12 N4 P2 S4 -","- C48 H36 F12 N4 P2 S4 -","- C192 H144 F48 N16 P8 S16 -","4","1","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0725","0.0609","","0.1677","0.1522","","","","1.041","1.06","1.06","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112163","10.6977","0.0007","15.0041","0.001","21.4755","0.0014","90","","96.172","0.001","90","","3427","0.4","98","2","98","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl5 Cr N O4 P2 -","- C30 H33 Cl5 Cr N O4 P2 -","- C120 H132 Cl20 Cr4 N4 O16 P8 -","4","1","","Theodor Agapie; Susan J. Schofer; Jay A. Labinger; John E. Bercaw","Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium-Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates","Journal of the American Chemical Society","2004","126","","1304","1305","10.1021/ja038968t","","","0.71073","MoKα","","0.0618","0.037","","","0.0621","0.0649","","","","","","1.579","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112164","15.1624","0.0007","15.4024","0.0007","22.7168","0.0011","91.232","0.001","94.435","0.001","110.525","0.001","4946.8","0.4","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Cl6 Cr N O4 P2 -","- C49.769 H51.538 Cl5.538 Cr N O4 P2 -","- C199.076 H206.152 Cl22.152 Cr4 N4 O16 P8 -","4","2","","Theodor Agapie; Susan J. Schofer; Jay A. Labinger; John E. Bercaw","Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium-Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates","Journal of the American Chemical Society","2004","126","","1304","1305","10.1021/ja038968t","","","0.71073","MoKα","","0.1196","0.0692","","","0.1163","0.1216","","","","","","2.003","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112165","9.9167","0.0006","11.9935","0.0008","17.9725","0.0011","77.371","0.001","76.328","0.001","70.67","0.001","1936.8","0.2","98","2","98","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H41 Br Cl2 Cr N O4 P2 -","- C42 H41 Br Cl2 Cr N O4 P2 -","- C84 H82 Br2 Cl4 Cr2 N2 O8 P4 -","2","1","","Theodor Agapie; Susan J. Schofer; Jay A. Labinger; John E. Bercaw","Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium-Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates","Journal of the American Chemical Society","2004","126","","1304","1305","10.1021/ja038968t","","","0.71073","MoKα","","0.0657","0.0416","","","0.0744","0.0765","","","","","","1.731","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112166","27.581","0.004","9.1114","0.0015","9.9791","0.0016","90","","92.213","0.003","90","","2505.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O12 P2 Zn2 -","- C21 H22 N2 O12 P2 Zn2 -","- C84 H88 N8 O48 P8 Zn8 -","4","1","","Yueh-Chun Liao; Fen-Ling Liao; Wei-Kuo Chang; Sue-Lein Wang","A Zeolitic Organo-Metallophosphate Hybrid Material with Bimodal Porosity","Journal of the American Chemical Society","2004","126","","1320","1321","10.1021/ja0390146","","","0.71073","MoKα","","0.0893","0.0766","","","0.223","0.23","","","","","","1.071","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112167","9.8074","0.001","9.9501","0.001","10.6064","0.0011","79.182","0.002","69.414","0.002","80.472","0.002","946.12","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Mn2 N16 -","- C12 H10 Mn2 N16 -","- C24 H20 Mn4 N32 -","2","1","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0849","0.0497","","","0.1227","0.1372","","","","","","0.952","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112168","17.1238","0.0004","10.8439","0.0003","12.3532","0.0004","90","","127.082","0.0012","90","","1829.98","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H22 Mn3 N28 -","- C24 H22 Mn3 N28 -","- C48 H44 Mn6 N56 -","2","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0663","0.0385","","","0.0817","0.0901","","","","","","1.005","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112169","14.4368","0.0003","14.5844","0.0003","17.5169","0.0004","90","","90","","90","","3688.22","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl Mn2 N21 O5 -","- C24 H24 Cl Mn2 N21 O5 -","- C96 H96 Cl4 Mn8 N84 O20 -","4","1","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.1077","0.0534","","","0.1369","0.1639","","","","","","1.014","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112170","15.0691","0.0004","7.829","0.0003","17.4369","0.0004","90","","96.088","0.002","90","","2045.53","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Mn2 N16 -","- C14 H14 Mn2 N16 -","- C56 H56 Mn8 N64 -","4","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0663","0.0346","","","0.0785","0.0895","","","","","","1.012","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112171","8.0488","0.0011","8.0488","0.0011","30.552","0.006","90","","90","","120","","1714.1","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C15 H18 Mn2 N16 O -","- C15 H14 Mn2 N16 O -","- C45 H42 Mn6 N48 O3 -","3","0.5","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.0802","0.0425","","","0.089","0.1018","","","","","","1.026","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112172","16.576","0.003","11.509","0.004","17.059","0.002","90","","115.36","0.02","90","","2940.8","1.3","293","2","250","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H37 Li N4 O -","- C33 H37 Li N4 O -","- C132 H148 Li4 N16 O4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Ana M. Rodríguez; Miguel A. Maestro","An Unprecedented Hybrid Scorpionate/Cyclopentadienyl Ligand","Journal of the American Chemical Society","2004","126","","1330","1331","10.1021/ja0391558","","","0.71073","MoKα","","0.3313","0.0745","","","0.1333","0.1996","","","","","","0.902","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112173","12.222","0.0011","23.628","0.002","12.8891","0.0012","90","","100.935","0.002","90","","3654.5","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 Cl3 N4 O2 Zr -","- C37 H37 Cl3 N4 O2 Zr -","- C148 H148 Cl12 N16 O8 Zr4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Ana M. Rodríguez; Miguel A. Maestro","An Unprecedented Hybrid Scorpionate/Cyclopentadienyl Ligand","Journal of the American Chemical Society","2004","126","","1330","1331","10.1021/ja0391558","","","0.71073","MoKα","","0.0837","0.0538","","","0.153","0.1716","","","","","","1.038","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112174","18.723","0.004","7.271","0.001","20.481","0.004","90","","107.02","0.03","90","","2666.1","1","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","catena-(mu4-4,4'(hexafluoroisopropylidene)bis(benzenecarboxylato) -half(mu2-4,4'(hexafluoroisopropylidene)bis(benzoic acid)copper(II)","","- C51 H26 Cu2 F18 O12 -","- C51 H26 Cu2 F18 O12 -","- C102 H52 Cu4 F36 O24 -","2","0.5","","Long Pan; Michelle B. Sander; Xiaoying Huang; Jing Li; Milton Smith; Edward Bittner; Bradley Bockrath; J. Karl Johnson","Microporous Metal Organic Materials: Promising Candidates as Sorbents for Hydrogen Storage","Journal of the American Chemical Society","2004","126","","1308","1309","10.1021/ja0392871","","","0.71073","MoKα","","0.0876","0.0441","","","0.0685","0.0744","","","","","","1.293","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112175","12.937","0.002","12.0613","0.0018","25.706","0.004","90","","97.777","0.002","90","","3974.2","1.1","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C70 H120 Si6 Y4 -","- C70 H120 Si6 Y4 -","- C140 H240 Si12 Y8 -","2","0.5","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.1222","0.0528","","","0.0896","0.1068","","","","","","0.956","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112176","22.5643","0.001","13.1414","0.0006","23.1746","0.001","90","","102.976","0.001","90","","6696.4","0.5","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H106 Si4 Y4 -","- C62 H106 Si4 Y4 -","- C248 H424 Si16 Y16 -","4","1","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.0484","0.0328","","","0.0755","0.0801","","","","","","1.043","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112177","24.44","0.004","18.673","0.003","14.797","0.002","90","","96.848","0.002","90","","6704.7","1.8","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H110 Lu4 O6 Si4 -","- C60 H110 Lu4 O6 Si4 -","- C240 H440 Lu16 O24 Si16 -","4","0.5","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.048","0.0319","","","0.0727","0.0775","","","","","","1.058","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112178","18.165","0.003","21.836","0.003","21.363","0.003","90","","90.861","0.002","90","","8473","2","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H126 Lu4 N4 O Si4 -","- C86 H126 Lu4 N4 O Si4 -","- C344 H504 Lu16 N16 O4 Si16 -","4","0.5","","Dongmei Cui; Olivier Tardif; Zhaomin Hou","Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of ""(C5Me4SiMe3)LnH2"" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds","Journal of the American Chemical Society","2004","126","","1312","1313","10.1021/ja039324o","","","0.71073","MoKα","","0.0445","0.0271","","","0.0562","0.0596","","","","","","1.078","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112179","8.256","0.006","7.118","0.005","14.087","0.011","90","","96.259","0.019","90","","822.9","1.1","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Chaomin Li; John A. Porco","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol To Promote [4 + 4] Dimerization","Journal of the American Chemical Society","2004","126","","1310","1311","10.1021/ja039543+","","","0.71073","MoKα","","0.0816","0.0524","","","0.1051","0.1169","","","","","","1.011","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112180","12.5095","0.0009","13.2254","0.001","20.9777","0.0016","90","","90","","90","","3470.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F3 N -","- C20 H21 B F3 N -","- C160 H168 B8 F24 N8 -","8","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0848","0.0451","","","0.094","0.1111","","","","","","1.009","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112181","9.9897","0.0011","10.8362","0.0012","23.435","0.003","90","","100.234","0.002","90","","2496.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H33 Cl N Rh -","- C30.5 H33 Cl N Rh -","- C122 H132 Cl4 N4 Rh4 -","4","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0323","0.0275","","","0.0687","0.0713","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112182","11.154","0.003","14.84","0.003","14.405","0.003","90","","94.718","0.004","90","","2376.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl N Rh -","- C28 H33 Cl N Rh -","- C112 H132 Cl4 N4 Rh4 -","4","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0942","0.055","","","0.1176","0.1307","","","","","","1.108","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112183","17.577","0.002","19.64","0.003","19.871","0.003","69.092","0.002","69.336","0.003","85.822","0.003","5984.7","1.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","{[(DAniF)2Rh2]4(O12C44H44)2(OEt2)(CH3CN)4}*10(CH3CN)","","","- C240 H260 N30 O41 Rh8 -","- C240 H232 N30 O41 Rh8 -","- C240 H232 N30 O41 Rh8 -","1","0.5","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.1683","0.0879","","","0.201","0.2363","","","","","","1.127","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112184","20.257","0.009","24.161","0.01","26.445","0.011","75.223","0.007","67.977","0.007","66.997","0.007","10955","8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","{NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(MeCN)2(H2O)2}(BF4),3.5H2O","","","- C220 H245 B F4 N19 O45.5 Rh8 -","- C220 H198 B F4 N19 O45.5 Rh8 -","- C440 H396 B2 F8 N38 O91 Rh16 -","2","1","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.163","0.0824","","","0.1834","0.234","","","","","","1.182","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112185","20.282","0.006","24.285","0.008","26.555","0.008","75.101","0.006","67.97","0.006","66.852","0.006","11056","6","213","2","213","2","","","","","","","","7","P -1","-P 1","2","{[NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(MeCN)2(H2O)2] [NEt4[cis-(DAniF)2Rh2]4[calix[4]arene(CO2)4]2(NH2COMe)(MeCN)3(H2O)]} (BF4)2,6(H2O)","","","- C444 H494 B2 F8 N40 O90 Rh16 -","- C444 H407 B2 F8 N40 O90 Rh16 -","- C444 H407 B2 F8 N40 O90 Rh16 -","1","0.5","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.1651","0.0725","","","0.1542","0.1942","","","","","","1.083","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112186","12.0208","0.0006","13.1643","0.0006","23.138","0.0011","77.851","0.001","77.749","0.001","80.174","0.001","3467.4","0.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","Rh2(DAniF)2(calixarene-dicarboxy)","","","- C73 H78 Br2 N4 O13 Rh2 -","- C73 H77 Br2 N4 O13 Rh2 -","- C146 H154 Br4 N8 O26 Rh4 -","2","1","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.0672","0.0469","","","0.1219","0.1367","","","","","","1.028","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112187","12.1936","0.0008","14.4964","0.001","20.9932","0.0014","106.99","0.001","95.559","0.001","105.863","0.001","3350.1","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","Mo2(DAniF)2(Calix[4]aren","","","- C72 H74 Br2 Mo2 N4 O12 -","- C72 H74 Br2 Mo2 N4 O12 -","- C144 H148 Br4 Mo4 N8 O24 -","2","1","","F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang","A Calix[4]arene Carceplex with Four Rh24+ Fasteners","Journal of the American Chemical Society","2004","126","","1518","1525","10.1021/ja0396899","","","0.71073","MoKα","","0.0728","0.0436","","","0.1017","0.1178","","","","","","1.018","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112188","10.2338","0.0012","18.178","0.002","14.1118","0.0016","90","","104.991","0.002","90","","2535.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B2 Cl2 P2 -","- C20 H46 B2 Cl2 P2 -","- C80 H184 B8 Cl8 P8 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0416","0.0299","","","0.0708","0.0781","","","","","","1.073","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112189","13.2757","0.001","16.0434","0.0012","11.8224","0.0009","90","","90","","90","","2518","0.3","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H46 B2 Cl2 P2 -","- C20 H46 B2 Cl2 P2 -","- C80 H184 B8 Cl8 P8 -","4","0.5","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0355","0.034","","","0.0882","0.0899","","","","","","1.061","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112190","10.2819","0.0012","10.5595","0.0012","13.0748","0.0015","77.516","0.002","72.12","0.002","67.15","0.002","1237.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H46 B2 P2 Se -","- C20 H46 B2 P2 Se -","- C40 H92 B4 P4 Se2 -","2","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0389","0.0331","","","0.0777","0.0794","","","","","","1.136","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112191","19.684","0.002","10.1828","0.0011","14.0169","0.0016","90","","110.408","0.002","90","","2633.2","0.5","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20.5 H46 B2 Br Cl P2 -","- C20.5 H46 B2 Br Cl P2 -","- C82 H184 B8 Br4 Cl4 P8 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0377","0.0301","","","0.072","0.0761","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112192","11.5058","0.0009","15.0388","0.0012","16.7911","0.0013","90","","90","","90","","2905.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H56 B2 P2 Sn -","- C23 H56 B2 P2 Sn -","- C92 H224 B8 P8 Sn4 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0238","0.0224","","","0.0561","0.0568","","","","","","1.024","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112193","13.4955","0.0007","15.8447","0.0009","11.8988","0.0006","90","","90","","90","","2544.3","0.2","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H46 B2 Br2 P2 -","- C20 H46 B2 Br2 P2 -","- C80 H184 B8 Br8 P8 -","4","0.5","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0466","0.0393","","","0.118","0.1226","","","","","","1.105","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112194","9.7777","0.0002","13.105","0.0003","16.9143","0.0004","95.057","0.001","96.028","0.001","102.347","0.001","2091.82","0.08","292","2","292","2","","","","","","","","3","P -1","-P 1","2","9-phenoxy-10-phenyl anthracene","","","- C29 H21 O -","- C29 H21 O -","- C116 H84 O4 -","4","2","","Robert L. Donkers; Mark S. Workentin","Elucidation of the Electron Transfer Reduction Mechanism of Anthracene Endoperoxides","Journal of the American Chemical Society","2004","126","","1688","1698","10.1021/ja035828a","","","0.71073","MoKα","","0.081","0.0516","","","0.1251","0.147","","","","","","1.029","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112195","12.3267","0.0011","18.641","0.002","24.487","0.003","90","0.002","92.332","0.002","90","0.002","5622","1","303.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Co Cr3 Cs5 O58 W12 -","- C6 Co Cr3 Cs5 O58 W12 -","- C24 Co4 Cr12 Cs20 O232 W48 -","4","1","","Sayaka Uchida; Noritaka Mizuno","Zeotype Ionic Crystal of Cs5[Cr3O(OOCH)6(H2O)3][α-CoW12O40].7.5H2O with Shape-Selective Adsorption of Water","Journal of the American Chemical Society","2004","126","","1602","1603","10.1021/ja038063f","","","0.7107","MoKα","","","0.093","","","","0.115","","","","","","7.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112196","12.642","0.003","19.337","0.005","24.341","0.006","90","","89.644","0.004","90","","5950","3","123.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Co Cr3 Cs5 O63.5 W12 -","- C6 Co Cr3 Cs5 O63.5 W12 -","- C24 Co4 Cr12 Cs20 O254 W48 -","4","1","","Sayaka Uchida; Noritaka Mizuno","Zeotype Ionic Crystal of Cs5[Cr3O(OOCH)6(H2O)3][α-CoW12O40].7.5H2O with Shape-Selective Adsorption of Water","Journal of the American Chemical Society","2004","126","","1602","1603","10.1021/ja038063f","","","0.7107","MoKα","","","0.045","","","","0.056","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112197","9.0217","0.0016","12.074","0.002","12.172","0.002","81.301","0.004","78.514","0.004","86.638","0.003","1283.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ti(NPh)(NHMe2)2(dpma)","","","- C22 H34 Cl2 N6 Ti -","- C22 H34 Cl2 N6 Ti -","- C44 H68 Cl4 N12 Ti2 -","2","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0593","0.04","","","0.0975","0.1044","","","","","","1.091","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112198","9.16","0.003","18.584","0.005","12.825","0.004","90","","99.86","0.02","90","","2150.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ti(NPh)(DME)(dpma)","","","- C42 H56 N8 O4 Ti2 -","- C42 H56 N8 O4 Ti2 -","- C84 H112 N16 O8 Ti4 -","2","0.5","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0623","0.0406","","","0.1089","0.1182","","","","","","1.055","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112199","11.3047","0.0018","20.237","0.003","17.69","0.003","90","","107.978","0.003","90","","3849.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ti(NPh)(dpma)(But-bpy)","","","- C37 H46 Cl4 N6 Ti -","- C37 H46 Cl4 N6 Ti -","- C148 H184 Cl16 N24 Ti4 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1695","0.0942","","","0.2479","0.2901","","","","","","0.981","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112200","20.186","0.005","10.166","0.002","25.483","0.006","90","","99.8","0.005","90","","5153","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ti(NHNC5H10)2(dpma)","","","- C22 H35 Cl2 N7 Ti -","- C22 H35 Cl2 N7 Ti -","- C176 H280 Cl16 N56 Ti8 -","8","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0956","0.0421","","","0.0922","0.1056","","","","","","0.918","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112201","14.816","0.003","15.601","0.003","16.673","0.003","72.03","0.03","65.48","0.03","64.91","0.03","3134.1","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ti(NPh)(NHMe2)2(dpma)/[Ti(NPh)(dpma)]2/Et2O/0.5 aniline","","","- C62 H78 N14.5 O Ti3 -","- C62 H78 N14.5 O Ti3 -","- C124 H156 N29 O2 Ti6 -","2","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1089","0.0495","","","0.1071","0.1237","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112202","12.997","0.011","20.424","0.017","14.061","0.012","90","","102.151","0.017","90","","3649","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ti(NNMe2)(But-bpy)(dpma)","","","- C38 H51 N7 Ti -","- C38 H51 N7 Ti -","- C152 H204 N28 Ti4 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0853","0.0446","","","0.1027","0.1225","","","","","","1.005","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112203","14.154","0.003","15.074","0.004","19.552","0.005","90","","97.375","0.005","90","","4137.1","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ti(NNMe3)(But-bpy)(dpma)]I","","","- C34 H50 Cl4 I N7 Ti -","- C34 H50 Cl4 I N7 Ti -","- C136 H200 Cl16 I4 N28 Ti4 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1177","0.0863","","","0.2504","0.2671","","","","","","1.055","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112204","20.186","0.005","10.166","0.002","25.483","0.006","90","","99.8","0.005","90","","5153","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ti(NHNC5H10)2(dpma).CH2Cl2","","","- C22 H35 Cl2 N7 Ti -","- C22 H35 Cl2 N7 Ti -","- C176 H280 Cl16 N56 Ti8 -","8","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.0956","0.0421","","","0.0922","0.1056","","","","","","0.918","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112205","8.2439","0.0014","21.395","0.004","19.18","0.003","90","","92.23","0.003","90","","3380.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ti(NNMe2)(dpma).1/2 toluene","","","- C33 H46 N10 Ti2 -","- C33 H46 N10 Ti2 -","- C132 H184 N40 Ti8 -","4","1","","Yahong Li; Yanhui Shi; Aaron L. Odom","Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination","Journal of the American Chemical Society","2004","126","","1794","1803","10.1021/ja038320g","","","0.71073","MoKα","","0.1181","0.0604","","","0.1498","0.1738","","","","","","1.001","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4112206","47.32","0.01","4.9123","0.0008","10.9439","0.0007","90","","91.24","0.01","90","","2543.3","0.7","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0892","","","","0.2227","","","","","","1.382","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112207","43.701","0.003","4.9008","0.0004","10.9131","0.0008","90","","104.169","0.004","90","","2266.2","0.3","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.076","","","","0.2083","","","","","","1.829","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112208","63.167","0.01","4.9276","0.0009","10.688","0.001","90","","90.317","0.004","90","","3326.7","0.9","203.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C144 H200 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0853","","","","0.2524","","","","","","1.443","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112209","10.8715","0.0004","4.8081","0.0002","34.691","0.002","90","","91.415","0.004","90","","1812.79","0.15","203.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0532","","","","0.1623","","","","","","1.788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112210","10.8779","0.0008","4.7946","0.0005","36.692","0.004","90","","94.818","0.006","90","","1906.9","0.3","203.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0562","","","","0.1628","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112211","10.9392","0.0006","4.8173","0.0002","46.006","0.002","90","","89.678","0.002","90","","2424.4","0.2","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C26 H41 N O2 -","- C26 H41 N O2 -","- C104 H164 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0501","","","","0.1609","","","","","","1.132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112212","10.905","0.003","4.837","0.002","54.96","0.02","90","","91.938","0.008","90","","2897.3","1.8","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C31 H51 N O2 -","- C31 H50 N O2 -","- C124 H200 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0923","","","","0.2936","","","","","","1.639","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112213","5.5705","0.0004","11.978","0.001","21.431","0.003","90","","90","","90","","1430","0.3","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0578","","","","0.1601","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112214","11.899","0.002","6.0741","0.0004","21.172","0.002","90","","102.289","0.006","90","","1495.2","0.3","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0984","","","","0.2618","","","","","","1.749","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112215","12.435","0.002","6.1477","0.0007","21.507","0.002","90","","97.73","0.02","90","","1629.2","0.4","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C17 N O2 -","- C68 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.1033","","","","0.2215","","","","","","2.271","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112216","10.871","0.001","4.9114","0.0005","27.191","0.003","90","","96.117","0.005","90","","1443.5","0.3","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C16 H21 N O2 -","- C16 H22 N O2 -","- C64 H88 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0598","","","","0.1801","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112217","11.0534","0.0001","4.8418","0.0005","15.1842","0.0001","90","","107.566","0.004","90","","774.74","0.08","213.2","","","","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0545","","","","0.1289","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112218","52.203","0.004","4.8399","0.0003","11.16","0.0009","90","","100.787","0.004","90","","2769.8","0.4","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.1657","","","","0.3752","","","","","","1.66","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112219","11.104","0.001","4.7946","0.0005","13.722","0.001","90","","91.274","0.006","90","","730.37","0.11","218.2","","","","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0782","","","","0.2003","","","","","","3.707","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112220","5.6039","0.0003","11.836","0.001","24.532","0.003","90","","90","","90","","1627.2","0.3","203.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0477","","","","0.1314","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112221","52.367","0.004","4.7443","0.0003","11.5947","0.0004","90","","93.372","0.003","90","","2875.7","0.3","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0602","","","","0.1866","","","","","","1.354","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112222","11.8255","0.0005","24","0.001","5.9437","0.0002","90","","90","","90","","1686.89","0.12","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.058","","","","0.1597","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112223","54.642","0.003","4.9909","0.0001","11.0533","0.0001","90","","99.442","0.002","90","","2973.54","0.18","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","0.7107","MoKα","","","0.0604","","","","0.192","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112224","34.8215","0.0007","10.4972","0.0002","14.3434","0.0003","90","","90","","90","","5242.92","0.18","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H41 Cl Ir O3 P2 -","- C23 H41 Cl Ir O3 P2 -","- C184 H328 Cl8 Ir8 O24 P16 -","8","1","","Inigo Göttker-Schnetmann; Peter White; Maurice Brookhart","Iridium Bis(phosphinite)p-XPCP Pincer Complexes: Highly Active Catalysts for the Transfer Dehydrogenation of Alkanes","Journal of the American Chemical Society","2004","126","","1804","1811","10.1021/ja0385235","","","0.71073","MolybdenumKα","","0.058","0.036","","0.041","0.037","","","","","1.62","1.62","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112225","12.017","0.005","14.236","0.006","12.309","0.005","90","","104.661","0.005","90","","2037.2","1.5","223.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Shunichi Fukuzumi; Hiroaki Kotani; Kei Ohkubo; Seiji Ogo; Nikolai V. Tkachenko; Helge Lemmetyinen","Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion with a Much Longer Lifetime and Higher Energy Than That of the Natural Photosynthetic Reaction Center","Journal of the American Chemical Society","2004","126","","1600","1601","10.1021/ja038656q","","","0.7107","MoKα","","","0.0617","","","","0.1687","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112226","12.198","0.002","6.272","0.001","14.501","0.003","90","","107.04","0.01","90","","1060.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Frederick A. Villamena; Christopher M. Hadad; Jay L. Zweier","Theoretical Study of the Spin Trapping of Hydroxyl Radical by Cyclic Nitrones: A Density Functional Theory Approach","Journal of the American Chemical Society","2004","126","","1816","1829","10.1021/ja038838k","","","0.71073","MoKα","","0.05","0.037","","0.0951","0.0867","","","","1.053","1.074","1.074","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112227","8.8832","0.0003","14.7504","0.0005","9.3656","0.0003","90","","110.851","0.001","90","","1146.81","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 N2 S -","- C9 H22 N2 S -","- C36 H88 N8 S4 -","4","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0381","0.0277","","","0.0663","0.0691","","","","","","0.912","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112228","29.8239","0.0008","11.4206","0.0003","18.0801","0.0004","90","","91.041","0.001","90","","6157.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H58 N6 S2 -","- C25 H58 N6 S2 -","- C200 H464 N48 S16 -","8","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0487","0.0315","","","0.0865","0.0932","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112229","5.9699","0.0003","9.2877","0.0004","9.9338","0.0004","72.505","0.001","88.338","0.001","84.661","0.001","523.04","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H19 N2 S -","- C8 H18 N2 S -","- C16 H36 N4 S2 -","2","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0509","0.0324","","","0.0775","0.082","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112230","9.3228","0.0003","9.3455","0.0003","10.6675","0.0003","70.515","0.001","77.571","0.001","60.554","0.001","761.52","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H27 N3 S -","- C12 H27 N3 S -","- C24 H54 N6 S2 -","2","1","","D. Leusser; J. Henn; N. Kocher; B. Engels; D. Stalke","SN versus S+N-: An Experimental and Theoretical Charge Density Study","Journal of the American Chemical Society","2004","126","","1781","1793","10.1021/ja038941+","","","0.71073","MoKα","","0.0343","0.028","","","0.073","0.075","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112231","9.9918","0.0001","10.3292","0.0001","11.8025","0.0002","89.8091","0.0006","89.7055","0.0006","81.5132","0.0006","1204.75","0.03","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N5 O2 -","- C31 H25 N5 O2 -","- C62 H50 N10 O4 -","2","1","","He-Chun Chou; Chin-Hao Hsu; Yi-Ming Cheng; Chung-Chih Cheng; Hsiao-Wei Liu; Shih-Chieh Pu; Pi-Tai Chou","Multiple Hydrogen Bonds Tuning Guest/Host Excited-State Proton Transfer Reaction: Its Application in Molecular Recognition","Journal of the American Chemical Society","2004","126","","1650","1651","10.1021/ja039240f","","","0.71073","MoKα","","0.0856","0.0615","","","0.153","0.1727","","","","","","1.062","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112232","11.0348","0.0006","12.5531","0.0007","14.0159","0.0008","88.743","0.001","75.343","0.001","87.515","0.001","1876.43","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","compound (4).CH2Cl2","","","- C32 H42 B Cl2 Ir N6 O8 -","- C31 H40 B Cl0 Ir N6 O8 -","- C62 H80 B2 Cl0 Ir2 N12 O16 -","2","1","","Margarita Paneque; Manuel L. Poveda; Nuria Rendón; Kurt Mereiter","Isolation of a Stable 1-Iridabicyclo[3.2.0]hepta-1,3,6-triene and Its Reversible Transformation into an Iridacycloheptatriene","Journal of the American Chemical Society","2004","126","","1610","1611","10.1021/ja0393527","","","0.71073","MoKα","","0.0288","0.0246","","","0.0639","0.065","","","","","","1.025","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112233","13.911","0.001","14.533","0.001","16.558","0.001","90","","90","","90","","3347.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound 2.(ca. 1.25H2O)","","","- C27 H38.5 B Ir N6 O10.25 -","- C27 H38 B Ir N6 O10.261 -","- C108 H152 B4 Ir4 N24 O41.044 -","4","1","","Margarita Paneque; Manuel L. Poveda; Nuria Rendón; Kurt Mereiter","Isolation of a Stable 1-Iridabicyclo[3.2.0]hepta-1,3,6-triene and Its Reversible Transformation into an Iridacycloheptatriene","Journal of the American Chemical Society","2004","126","","1610","1611","10.1021/ja0393527","","","0.71073","MoKα","","0.0381","0.0301","","","0.0682","0.0723","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112234","6.5819","0.0002","11.1635","0.0003","21.5458","0.0008","90","","90","","90","","1583.12","0.09","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.71069","MoKα","","0.0504","0.0454","","0.109","0.1052","","","","1.048","1.057","1.057","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112235","13.906","0.009","5.635","0.003","14.432","0.009","90.22","0.03","104.7","0.019","90.45","0.03","1093.8","1.1","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O6 -","- C20 H28 O5 -","- C40 H56 O10 -","2","2","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.1471","0.1252","","","0.3121","0.3409","","","","","","1.322","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112236","5.6107","0.0008","9.725","0.0016","25.856","0.004","90","","90","","90","","1410.8","0.4","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.0525","0.044","","","0.0925","0.0972","","","","","","1.109","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112237","10.3569","0.0013","11.7844","0.0015","14.8684","0.0019","90","","90","","90","","1814.7","0.4","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.0377","0.0343","","","0.0835","0.0858","","","","","","1.03","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112238","8.6523","0.0016","13.943","0.003","17.078","0.003","90","","90","","90","","2060.3","0.7","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.71069","MoKα","","0.0787","0.0656","","","0.1636","0.1764","","","","","","1.064","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112239","7.1098","0.0001","24.8571","0.0006","8.1218","0.0002","90","","90.253","0.001","90","","1435.34","0.05","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CyPVi3]+I-","","","- C12 H20 I P -","- C12 H20 I P -","- C48 H80 I4 P4 -","4","1","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0308","0.0264","","","0.0574","0.0597","","","","","","1.113","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112240","19.3966","0.0003","13.7062","0.0002","9.916","0.0001","90","","90","","90","","2636.21","0.06","143","2","143","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[PVi4]+[BPh4]-","","","- C32 H32 B P -","- C32 H32 B P -","- C128 H128 B4 P4 -","4","0.5","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0524","0.0496","","","0.1229","0.125","","","","","","1.071","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112241","10.3108","0.0001","14.585","0.0002","15.6994","0.0003","90","","100.11","0.0006","90","","2324.26","0.06","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[BVi4]-[MePPh3]+","","","- C27 H30 B P -","- C27 H30 B P -","- C108 H120 B4 P4 -","4","1","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0449","0.0419","","","0.1009","0.1031","","","","","","1.03","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112242","10.5931","0.0001","10.593","","37.5286","0.0006","90","","90","","90","","4211.19","0.08","143","2","143","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","[P(CH2CH2OAc)4]+I-","","","- C16 H28 I O8 P -","- C16 H28 I O8 P -","- C128 H224 I8 O64 P8 -","8","0.5","","Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur","The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+","Journal of the American Chemical Society","2004","126","","1632","1633","10.1021/ja0399019","","","0.71073","MoKα","","0.0258","0.024","","","0.0684","0.0714","","","","","","1.227","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112243","9.802","0.0012","10.9657","0.0013","20.323","0.002","81.917","0.002","89.293","0.002","72.296","0.002","2059.2","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGPR01","","","- C25 H22 O3 S -","- C25 H22 O3 S -","- C100 H88 O12 S4 -","4","2","","Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang","Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones","Journal of the American Chemical Society","2004","126","","1624","1625","10.1021/ja0399066","","","0.71073","MoKα","","0.0854","0.0562","","","0.1211","0.1318","","","","","","1.029","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112244","6.8553","0.0007","8.3097","0.0008","11.1075","0.0011","79.55","0.002","84.044","0.002","85.155","0.002","617.49","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGPR02","","","- C14 H14 O3 S -","- C14 H14 O3 S -","- C28 H28 O6 S2 -","2","1","","Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang","Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones","Journal of the American Chemical Society","2004","126","","1624","1625","10.1021/ja0399066","","","0.71073","MoKα","","0.0501","0.038","","","0.0925","0.0977","","","","","","1.07","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112245","8.1957","0.0006","9.8799","0.0007","13.1784","0.0009","99.176","0.001","98.87","0.001","98.501","0.001","1024.45","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","MAGYT01","","","- C26 H22 O3 S -","- C26 H22 O3 S -","- C52 H44 O6 S2 -","2","1","","Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang","Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones","Journal of the American Chemical Society","2004","126","","1624","1625","10.1021/ja0399066","","","0.71073","MoKα","","0.0675","0.0521","","","0.1237","0.131","","","","","","1.022","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112246","35.8248","0.0011","23.1245","0.0011","40.7231","0.0016","90","","113.234","0.002","90","","31000","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C198.38 H380.76 Cl4.76 Mn30 N4 O106 -","- C198.376 H380.752 Cl4.752 Mn30 N4 O106 -","- C793.504 H1523.01 Cl19.008 Mn120 N16 O424 -","4","0.5","","Monica Soler; Wolfgang Wernsdorfer; Kirsten Folting; Maren Pink; George Christou","Single-Molecule Magnets: A Large Mn30 Molecular Nanomagnet Exhibiting Quantum Tunneling of Magnetization","Journal of the American Chemical Society","2004","126","","2156","2165","10.1021/ja0297638","","","0.71073","MoKα","","0.1414","0.0885","","","0.2718","0.3208","","","","","","1.118","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112247","18.755","0.002","32.165","0.004","44.134","0.006","90","","90","","90","","26624","6","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C1000 H1000 N500 O500 -","- C1252 N288 O138 -","- C1252 N288 O138 -","1","0.25","","Young Ho Ko; Kyungpil Kim; Jin-Koo Kang; Hyungphil Chun; Jae Wook Lee; Shigeru Sakamoto; Kentaro Yamaguchi; James C. Fettinger; Kimoon Kim","Designed Self-Assembly of Molecular Necklaces Using Host-Stabilized Charge-Transfer Interactions","Journal of the American Chemical Society","2004","126","","1932","1933","10.1021/ja031567t","","","0.71073","MoKα","","0.2864","0.2","","","0.452","0.4994","","","","","","1.62","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112248","7.504","0.001","7.611","0.001","13.86","0.001","84.1","0.01","88.18","0.01","80.42","0.01","776.32","0.16","198","2","198","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 Zr -","- C19 H22 Zr -","- C38 H44 Zr2 -","2","1","","Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker","(Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process","Journal of the American Chemical Society","2004","126","","2089","2104","10.1021/ja035739y","","","0.71073","MoKα","","0.0443","0.0352","","","0.0791","0.0833","","","","","","1.04","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112249","7.946","0.001","9.841","0.001","12.337","0.001","73.36","0.01","77.47","0.01","68.24","0.01","851.77","0.17","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Cl2 Si Zr -","- C15 H20 Cl2 Si Zr -","- C30 H40 Cl4 Si2 Zr2 -","2","1","","Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker","(Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process","Journal of the American Chemical Society","2004","126","","2089","2104","10.1021/ja035739y","","","0.71073","MoKα","","0.051","0.0334","","","0.0589","0.064","","","","","","1.029","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112250","9.939","0.001","12.73","0.001","15.109","0.001","90","","106.39","0.01","90","","1834","0.3","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Si Zr -","- C16 H22 Cl2 Si Zr -","- C64 H88 Cl8 Si4 Zr4 -","4","1","","Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker","(Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process","Journal of the American Chemical Society","2004","126","","2089","2104","10.1021/ja035739y","","","0.71073","MoKα","","0.0961","0.0709","","","0.1661","0.1775","","","","","","1.015","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112251","10.5307","0.0004","14.7683","0.0005","19.5511","0.0007","90","","92.604","0.001","90","","3037.46","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 N2 P2 Re Si2 -","- C25 H51 N2 P2 Re Si2 -","- C100 H204 N8 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.0181","0.0161","","","0.0408","0.0419","","","","","","1.064","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112252","12.887","0.0004","16.9003","0.0005","14.1618","0.0004","90","","90","","90","","3084.36","0.16","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H51 N2 P2 Re Si2 -","- C24 H51 N2 P2 Re Si2 -","- C96 H204 N8 P8 Re4 Si8 -","4","0.5","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.016","0.0146","","","0.0379","0.0386","","","","","","1.106","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112253","19.3458","0.0008","10.7479","0.0004","18.3294","0.0007","90","","113.714","0.001","90","","3489.4","0.2","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H56 N3 P2 Re Si2 -","- C30 H56 N3 P2 Re Si2 -","- C120 H224 N12 P8 Re4 Si8 -","4","1","","Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton","Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds","Journal of the American Chemical Society","2004","126","","2105","2113","10.1021/ja036999i","","","0.71073","MoKα","","0.036","0.0266","","","0.0588","0.0622","","","","","","1.025","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112254","9.961","0.004","20.869","0.005","9.596","0.004","90","","90","","90","","1994.8","1.2","293","2","180","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O6 -","- C19 H32 O6 -","- C76 H128 O24 -","4","1","","Paul T. O'Sullivan; Wilm Buhr; Mary Ann M. Fuhry; Justin R. Harrison; John E. Davies; Neil Feeder; David R. Marshall; Jonathan W. Burton; Andrew B. Holmes","A Concise Synthesis of the Octalactins","Journal of the American Chemical Society","2004","126","","2194","2207","10.1021/ja038353w","","","0.71073","MoKα","","0.0792","0.0448","","0.0838","0.0755","","","","0.95","1.013","1.013","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112255","12.843","0.002","12.843","0.002","7.107","0.003","90","","90","","120","","1015.2","0.5","180","2","180","2","","","","","","","","3","P 31","P 31","144","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C39 H60 O15 -","3","1","","Paul T. O'Sullivan; Wilm Buhr; Mary Ann M. Fuhry; Justin R. Harrison; John E. Davies; Neil Feeder; David R. Marshall; Jonathan W. Burton; Andrew B. Holmes","A Concise Synthesis of the Octalactins","Journal of the American Chemical Society","2004","126","","2194","2207","10.1021/ja038353w","","","0.71069","MoKα","","0.0613","0.0443","","0.1013","0.0938","","","","1.05","1.098","1.098","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112256","8.6787","0.0007","7.5719","0.0007","12.761","0.001","90","","105.193","0.002","90","","809.27","0.12","298.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0458","","","","0.1326","","","","","","1.273","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112257","8.6023","0.0004","8.889","0.002","5.287","0.0006","96.305","0.004","105.636","0.005","87.323","0.008","386.9","0.1","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C16 H16 O8 -","2","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0623","","","","0.1834","","","","","","1.822","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112258","13.483","0.002","21.392","0.003","6.8956","0.0009","90","","90","","90","","1988.9","0.5","296.2","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0721","","","","0.1558","","","","","","1.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112259","24.6","0.01","9.724","0.001","10.864","0.002","90","","109.32","0.02","90","","2452.4","1.2","197.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0525","","","","0.1169","","","","","","1.67","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112260","15.76","0.006","8.4013","0.0008","19.395","0.002","90","","99.29","0.02","90","","2534.3","1","197.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","0.7107","MoKα","","","0.0528","","","","0.0907","","","","","","1.513","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112261","10.8775","0.0008","7.9949","0.0003","18.0881","0.0009","90","","92.459","0.004","90","","1571.57","0.15","204.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0557","","","","0.1506","","","","","","1.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112262","7.646","0.0005","15.981","0.002","10.006","0.001","90","","105.371","0.004","90","","1178.9","0.2","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl4 O8 -","- C20 H20 Cl4 O8 -","- C40 H40 Cl8 O16 -","2","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0512","","","","0.1331","","","","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112263","11.934","0.003","7.64","0.001","12.737","0.002","90","","97.145","0.009","90","","1152.3","0.4","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl4 O8 -","- C20 H20 Cl4 O8 -","- C40 H40 Cl8 O16 -","2","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.1074","","","","0.2534","","","","","","3.243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112264","6.9884","0.0008","7.7551","0.0006","12.177","0.001","102.295","0.003","97.575","0.003","106.277","0.006","605.92","0.1","193.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 Br4 O8 -","- C20 H20 Br4 O8 -","- C20 H20 Br4 O8 -","1","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.1034","","","","0.3566","","","","","","1.754","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112265","4.9861","0.0005","30.653","0.002","8.0969","0.0005","90","","98.386","0.004","90","","1224.29","0.17","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br4 O8 -","- C20 H20 Br4 O8 -","- C40 H40 Br8 O16 -","2","0.5","","Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata","Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes","Journal of the American Chemical Society","2004","126","","2035","2041","10.1021/ja0386086","","","1.5418","CuKα","","","0.0697","","","","0.196","","","","","","1.485","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112266","9.1628","0.0018","9.954","0.002","10.825","0.002","88.81","0.03","81.14","0.03","76.49","0.03","948.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H36 Cu P -","- C19 H36 Cu P -","- C38 H72 Cu2 P2 -","2","1","","Frank Schaper; Stephen R. Foley; Richard F. Jordan","Acrylonitrile Polymerization by Cy3PCuMe and (Bipy)2FeEt2","Journal of the American Chemical Society","2004","126","","2114","2124","10.1021/ja039018a","","","0.71073","MoKα","","0.0254","0.025","","","0.0672","0.0675","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112267","23.245","0.004","20.453","0.004","24.056","0.005","90","","92.674","0.006","90","","11424","4","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H89 N2 P2 V -","- C59 H88.5 N2 P2 V -","- C472 H708 N16 P16 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond","Journal of the American Chemical Society","2004","126","","1924","1925","10.1021/ja0392216","","","0.71073","MoKα","","0.1358","0.0991","","","0.2409","0.256","","","","","","1.128","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112268","11.6061","0.0011","20.072","0.002","22.09","0.002","92.901","0.003","98.233","0.002","94.051","0.002","5070.7","0.8","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.25 H81 N2 P V -","- C53.25 H81 N2 P V -","- C213 H324 N8 P4 V4 -","4","2","","Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond","Journal of the American Chemical Society","2004","126","","1924","1925","10.1021/ja0392216","","","0.71073","MoKα","","0.0805","0.0398","","","0.0809","0.0867","","","","","","0.851","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112269","21.442","0.005","23.415","0.005","20.355","0.005","90","","113.933","0.006","90","","9341","4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H75 N2 P V -","- C49 H75 N2 P V -","- C392 H600 N16 P8 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond","Journal of the American Chemical Society","2004","126","","1924","1925","10.1021/ja0392216","","","0.71073","MoKα","","0.1548","0.0698","","","0.1525","0.1658","","","","","","0.86","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112270","11.4072","0.0005","34.6761","0.0015","20.2364","0.0009","90","","97.845","0.001","90","","7929.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Cl Os P2 -","- C42 H61 Cl Os P2 -","- C336 H488 Cl8 Os8 P16 -","8","2","","Pilar Barrio; Miguel A. Esteruelas; Enrique Oñate","Preparation and Characterization of an Isometallabenzene with the Structure of a 1,2,4-Cyclohexatriene","Journal of the American Chemical Society","2004","126","","1946","1947","10.1021/ja039633e","","","0.71073","MoKα","","0.0561","0.0377","","","0.0669","0.0774","","","","","","1.022","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112271","11.3001","0.0013","15.9455","0.0019","21.99","0.003","90","","95.448","0.002","90","","3944.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H61 B F4 Os P2 -","- C42 H61 B F4 Os P2 -","- C168 H244 B4 F16 Os4 P8 -","4","1","","Pilar Barrio; Miguel A. Esteruelas; Enrique Oñate","Preparation and Characterization of an Isometallabenzene with the Structure of a 1,2,4-Cyclohexatriene","Journal of the American Chemical Society","2004","126","","1946","1947","10.1021/ja039633e","","","0.71073","MoKα","","0.1315","0.0607","","","0.0859","0.0995","","","","","","0.869","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112272","13.848","0.001","22.329","0.001","13.845","0.001","90","","112.676","0.002","90","","3950.1","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H95 Na O16 -","- C64 H90 Na O16 -","- C128 H180 Na2 O32 -","2","1","","Eun Joo Kang; Eun Jin Cho; Young Eun Lee; Mi Kyung Ji; Dong Mok Shin; Young Keun Chung; Eun Lee","Total Synthesis of (+)-SCH 351448","Journal of the American Chemical Society","2004","126","","2680","2681","10.1021/ja0315309","","","0.71073","MoKα","","0.2039","0.1041","","","0.2452","0.2833","","","","","","0.838","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112273","11.306","0.003","10.404","0.003","39.541","0.01","90","","93.282","0.005","90","","4643","2","173","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H51 Cl Fe N4 O4 -","- C52.5 H50 Cl Fe N4 O4 -","- C210 H200 Cl4 Fe4 N16 O16 -","4","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.0734","0.0564","","","0.1324","0.1434","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112274","15.385","0.009","28.695","0.017","21.194","0.012","90","","91.151","0.012","90","","9355","9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97.25 H94.5 Cl6.5 Fe2 N4 O11 -","- C97.25 H93 Cl6.5 Fe2 N4 O11 -","- C389 H372 Cl26 Fe8 N16 O44 -","4","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.1716","0.0928","","","0.2028","0.2454","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112275","11.0023","0.0016","13.702","0.002","15.552","0.002","68.884","0.002","88.421","0.002","77.728","0.002","2134","0.5","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F4 Fe N4 O4 -","- C48 H38 F4 Fe N4 O4 -","- C96 H76 F8 Fe2 N8 O8 -","2","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.0431","0.0357","","","0.093","0.0972","","","","","","1.033","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112276","13.92","0.002","15.434","0.002","19.559","0.003","88.767","0.002","88.313","0.002","84.813","0.002","4182.3","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H70 Cl2 F8 Fe2 N6 O9 -","- C92 H66.5 Cl2 F8 Fe2 N6 O9 -","- C184 H133 Cl4 F16 Fe4 N12 O18 -","2","1","","Sungho Yoon; Stephen J. Lippard","Synthesis and Characterization of Carboxylate-Rich Complexes Having the {Fe2(μ-OH)2(μ-O2CR)}3+ and {Fe2(μ-O)(μ-O2CR)}3+ Cores of O2-Dependent Diiron Enzymes","Journal of the American Chemical Society","2004","126","","2666","2667","10.1021/ja031603o","","","0.71073","MoKα","","0.0781","0.0672","","","0.2057","0.2225","","","","","","0.973","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112277","13.096","0.0009","10.0714","0.0007","11.0398","0.0008","90","","102.604","0.001","90","","1421.01","0.17","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","cesium uranyl(VI) periodate","","","- Cs I O15.5 U3 -","- Cs I O15.5 U3 -","- Cs4 I4 O62 U12 -","4","1","","Tyler A. Sullens; Rebecca A. Jensen; Tatiana Y. Shvareva; Thomas E. Albrecht-Schmitt","Cation-Cation Interactions between Uranyl Cations in a Polar Open-Framework Uranyl Periodate","Journal of the American Chemical Society","2004","126","","2676","2677","10.1021/ja031695h","","","0.71073","MoKα","","0.0261","0.0239","","","0.0472","0.0478","","","","","","0.705","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112278","13.6002","0.0014","13.6002","0.0014","51.477","0.01","90","","90","","90","","9521","2","293","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C42 H49 Cl2 F12 O P2 Rh Sb2 -","- C42 H47 Cl2 F12 O P2 Rh Sb2 -","- C336 H376 Cl16 F96 O8 P16 Rh8 Sb16 -","8","1","","Daniel Carmona; M. Pilar Lamata; Fernando Viguri; Ricardo Rodríguez; Luis A. Oro; Ana I. Balana; Fernando J. Lahoz; Tomás Tejero; Pedro Merino; Santiago Franco; Isabel Montesa","The Complete Characterization of a Rhodium Lewis Acid-Dipolarophile Complex as an Intermediate for the Enantioselective Catalytic 1,3-Dipolar Cycloaddition of C,N-Diphenylnitrone to Methacrolein","Journal of the American Chemical Society","2004","126","","2716","2717","10.1021/ja031995z","","","0.71073","MoKα","","0.0528","0.0515","","","0.1152","0.1159","","","","","","1.335","","","","has coordinates,has disorder","178893","2020-10-21","18:00:00",""
"4112279","10.2263","0.0009","10.6226","0.0009","19.4884","0.0017","94.017","0.002","90.634","0.002","107.305","0.001","2015.1","0.3","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Cu2 N2 S4 -","- C40 H52 Cu2 N2 S4 -","- C80 H104 Cu4 N4 S8 -","2","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0416","0.0303","","","0.066","0.0685","","","","","","1.464","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112280","10.3179","0.0008","19.3779","0.0014","19.9116","0.0015","74.234","0.001","83.222","0.001","85.603","0.001","3800.4","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H69 B Cu2 F24 N2 O0.5 S4 -","- C74 H69 B Cu2 F24 N2 O0.5 S4 -","- C148 H138 B2 Cu4 F48 N4 O S8 -","2","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0597","0.0393","","","0.081","0.085","","","","","","1.58","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112281","17.0807","0.0013","12.3173","0.001","19.5782","0.0015","90","","90","","90","","4119","0.6","96","2","96","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl Cu N S2 -","- C20 H26 Cl Cu N S2 -","- C160 H208 Cl8 Cu8 N8 S16 -","8","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0664","0.0381","","","0.0694","0.0753","","","","","","1.235","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112282","7.7325","0.001","15.6579","0.0013","35.803","0.002","90","","90","","90","","4334.8","0.7","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H33 Al N2 O2 -","- C23 H33 Al N2 O2 -","- C184 H264 Al8 N16 O16 -","8","1","","Pimpa Hormnirun; Edward L. Marshall; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Remarkable Stereocontrol in the Polymerization of Racemic Lactide Using Aluminum Initiators Supported by Tetradentate Aminophenoxide Ligands","Journal of the American Chemical Society","2004","126","","2688","2689","10.1021/ja038757o","","","1.54178","CuKα","","0.0572","0.0451","","","0.1141","0.1202","","","","","","1.021","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112283","14.8173","0.0014","14.8173","0.0014","14.8173","0.0014","90","","90","","90","","3253.2","0.5","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H66 Ca6 K3 N25 O39 -","- C24.14 H48 Ca6 K3 N25 O39 -","- C48.28 H96 Ca12 K6 N50 O78 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0555","0.0544","","","0.1734","0.1745","","","","","","1.176","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112284","14.7493","0.0004","14.7493","0.0004","14.7493","0.0004","90","","90","","90","","3208.59","0.15","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H70 Cd6 N25 Na3 O41 -","- C21.02 H48 Cd6 N25 Na3 O40.98 -","- C42.04 H96 Cd12 N50 Na6 O81.96 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0375","0.0372","","","0.1193","0.1196","","","","","","1.395","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112285","28.9057","0.0004","28.9057","0.0004","28.9057","0.0004","90","","90","","90","","24151.9","0.6","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 Co6 N25 Na3 O38 -","- C23.96 H48 Co6 N25 Na3 O37.98 -","- C383.36 H768 Co96 N400 Na48 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0355","0.0257","","","0.0922","0.1048","","","","","","1.144","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112286","29.0191","0.0007","29.0191","0.0007","29.0191","0.0007","90","","90","","90","","24437.2","1","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 Fe6 N25 Na3 O38 -","- C24.02 H48 Fe6 N25 Na3 O37.98 -","- C384.32 H768 Fe96 N400 Na48 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0647","0.0511","","","0.1763","0.1967","","","","","","1.133","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112287","14.5662","0.0008","14.5662","0.0008","14.5662","0.0008","90","","90","","90","","3090.6","0.3","293","2","293","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C24 H66 Mn6 N25 Na3 O39 -","- C24.14 H48 Mn6 N25 Na3 O39 -","- C48.28 H96 Mn12 N50 Na6 O78 -","2","0.0208333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.061","0.0562","","","0.164","0.1668","","","","","","1.159","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112288","28.778","0.0011","28.778","0.0011","28.778","0.0011","90","","90","","90","","23833.2","1.6","293","2","293","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 N25 Na3 Ni6 O38 -","- C24.02 H48 N25 Na3 Ni6 O37.98 -","- C384.32 H768 N400 Na48 Ni96 O607.68 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0739","0.0644","","","0.157","0.1625","","","","","","1.352","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112289","28.9736","0.0012","28.9736","0.0012","28.9736","0.0012","90","","90","","90","","24322.5","1.7","293","2","566","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H64 N25 Na3 O38 Zn6 -","- C24.08 H48 N25 Na3 O37.98 Zn6 -","- C385.28 H768 N400 Na48 O607.68 Zn96 -","16","0.0833333","","Brendan F. Abrahams; Adrian Hawley; Marissa G. Haywood; Timothy A. Hudson; Richard Robson; Damian A. Slizys","Serendipity and Design in the Generation of New Coordination Polymers: An Extensive Series of Highly Symmetrical Guanidinium-Templated, Carbonate-Based Networks with the Sodalite Topology","Journal of the American Chemical Society","2004","126","","2894","2904","10.1021/ja038904i","","","0.71073","MoKα","","0.0683","0.0306","","","0.0919","0.1132","","","","","","1.013","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112290","12.384","0.005","21.871","0.009","16.751","0.007","90","","104.875","0.009","90","","4385","3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 N2 Si Sn -","- C46 H70 N2 Si Sn -","- C184 H280 N8 Si4 Sn4 -","4","1","","Wataru Setaka; Katsuyuki Hirai; Hideo Tomioka; Kenkichi Sakamoto; Mitsuo Kira","Stannaacetylene (RSn\τbCR') Showing Carbene-like Reaction Mode","Journal of the American Chemical Society","2004","126","","2696","2697","10.1021/ja0389974","","","0.71073","MoKα","","0.1252","0.0601","","","0.1119","0.1288","","","","","","0.879","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112291","16.407","0.004","21.904","0.005","24.092","0.005","90","","106.357","0.004","90","","8308","3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Si Sn -","- C46 H70 Si Sn -","- C368 H560 Si8 Sn8 -","8","2","","Wataru Setaka; Katsuyuki Hirai; Hideo Tomioka; Kenkichi Sakamoto; Mitsuo Kira","Stannaacetylene (RSn\τbCR') Showing Carbene-like Reaction Mode","Journal of the American Chemical Society","2004","126","","2696","2697","10.1021/ja0389974","","","0.71073","MoKα","","0.0972","0.0596","","","0.1454","0.1676","","","","","","1.033","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112292","32.965","0.003","8.034","","16.39","0.002","90","","90.701","0.003","90","","4340.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O5 S2 -","- C23 H24 O5 S2 -","- C184 H192 O40 S16 -","8","1","","Sang Ick Lee; Ji Hoon Park; Young Keun Chung; Sueg-Geun Lee","Rhodium-Catalyzed Carbonylative [3+2+1] Cycloaddition Reaction: Catalytic Formation of Bicyclic Cyclohexenones from Trienes and Carbon Monoxide","Journal of the American Chemical Society","2004","126","","2714","2715","10.1021/ja039301+","","","0.71073","MoKα","","0.1493","0.1244","","","0.3467","0.3639","","","","","","1.139","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112293","6.693","0.002","7.705","0.001","8.731","0.002","103.18","0.02","111.12","0.02","90.38","0.02","406.99","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 I4 Ir2 O4 -","- C6 H6 I4 Ir2 O4 -","- C6 H6 I4 Ir2 O4 -","1","0.5","","Anthony Haynes; Peter M. Maitlis; George E. Morris; Glenn J. Sunley; Harry Adams; Peter W. Badger; Craig M. Bowers; David B. Cook; Paul I. P. Elliott; Talit Ghaffar; Helena Green; Tim R. Griffin; Marc Payne; Jean M. Pearson; Michael J. Taylor; Paul W. Vickers; Rob J. Watt","Promotion of Iridium-Catalyzed Methanol Carbonylation: Mechanistic Studies of the Cativa Process","Journal of the American Chemical Society","2004","126","","2847","2861","10.1021/ja039464y","","","0.71073","MoKα","","0.0567","0.0548","","0.1585","0.1557","","","","1.083","1.094","1.094","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112294","12.351","0.003","16.5","0.004","15.971","0.004","90","","110.277","0.004","90","","3053.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 As I3 Ir O3 -","- C28 H23 As I3 Ir O3 -","- C112 H92 As4 I12 Ir4 O12 -","4","1","","Anthony Haynes; Peter M. Maitlis; George E. Morris; Glenn J. Sunley; Harry Adams; Peter W. Badger; Craig M. Bowers; David B. Cook; Paul I. P. Elliott; Talit Ghaffar; Helena Green; Tim R. Griffin; Marc Payne; Jean M. Pearson; Michael J. Taylor; Paul W. Vickers; Rob J. Watt","Promotion of Iridium-Catalyzed Methanol Carbonylation: Mechanistic Studies of the Cativa Process","Journal of the American Chemical Society","2004","126","","2847","2861","10.1021/ja039464y","","","0.71073","MoKα","","0.0434","0.0325","","","0.077","0.0809","","","","","","1.007","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112295","10.385","0.0008","10.6155","0.0009","14.4068","0.0012","81.854","0.001","85.35","0.001","73.086","0.002","1502.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","L(delta)Zn(NCCH3).CH2Cl2","","","- C31 H37 Cl2 N5 Zn -","- C31 H37 Cl2 N5 Zn -","- C62 H74 Cl4 N10 Zn2 -","2","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Chemistry of Zinc Porphyrinogen: A Ligand-Based Platform for Two-Electron Mixed Valency","Journal of the American Chemical Society","2004","126","","2829","2837","10.1021/ja039617h","","","0.71073","MoKα","","0.0861","0.0609","","","0.114","0.1227","","","","","","1.071","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112296","12.618","0.007","7.536","0.004","11.418","0.006","90","","97.446","0.009","90","","1076.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N4 Se2 -","- C8 H10 N4 Se2 -","- C32 H40 N16 Se8 -","4","0.5","","Gouriprasanna Roy; Munirathinam Nethaji; G. Mugesh","Biomimetic Studies on Anti-Thyroid Drugs and Thyroid Hormone Synthesis","Journal of the American Chemical Society","2004","126","","2712","2713","10.1021/ja039860g","","","0.71073","MoKα","","0.0387","0.0349","","","0.0995","0.1021","","","","","","0.98","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112297","9.486","0.006","9.965","0.006","10.953","0.006","91.403","0.009","111.942","0.008","118.051","0.008","821.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O3 Se -","- C16 H20 N2 O3 Se -","- C32 H40 N4 O6 Se2 -","2","1","","Gouriprasanna Roy; Munirathinam Nethaji; G. Mugesh","Biomimetic Studies on Anti-Thyroid Drugs and Thyroid Hormone Synthesis","Journal of the American Chemical Society","2004","126","","2712","2713","10.1021/ja039860g","","","0.71073","MoKα","","0.0297","0.0264","","","0.0674","0.0693","","","","","","1.042","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112298","18.9647","0.0001","11.3278","0.0001","21.7733","0.0002","90","","90","","90","","4677.52","0.06","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H21 O5 P W -","- C25 H21 O5 P W -","- C200 H168 O40 P8 W8 -","8","2","","J. Chris Slootweg; Marius Schakel; Frans J. J. de Kanter; Andreas W. Ehlers; Sergei I. Kozhushkov; Armin de Meijere; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Branched Phospha[7]triangulanes","Journal of the American Chemical Society","2004","126","","3050","3051","10.1021/ja031648p","","","0.71073","MoKα","","0.045","0.0285","","","0.0378","0.0405","","","","","","0.975","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112299","7.8462","0.0001","12.9734","0.0002","8.7058","0.0001","90","","115.697","0.0006","90","","798.538","0.019","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 P -","- C20 H21 P -","- C40 H42 P2 -","2","0.5","","J. Chris Slootweg; Marius Schakel; Frans J. J. de Kanter; Andreas W. Ehlers; Sergei I. Kozhushkov; Armin de Meijere; Martin Lutz; Anthony L. Spek; Koop Lammertsma","Branched Phospha[7]triangulanes","Journal of the American Chemical Society","2004","126","","3050","3051","10.1021/ja031648p","","","0.71073","MoKα","","0.0354","0.0307","","","0.0784","0.0812","","","","","","1.047","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112300","19.13","0.005","19.13","0.005","11.379","0.004","90","","90","","90","","4164","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","dinickel aspartato-diaqua-oxide tetrahydrate","","- C4 H13 N Ni2 O9 -","- C4 N Ni2 O9 -","- C64 N16 Ni32 O144 -","16","1","","Ekaterina V. Anokhina; Allan J. Jacobson","[Ni2O(l-Asp)(H2O)2].4H2O: A Homochiral 1D Helical Chain Hybrid Compound with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2004","126","","3044","3045","10.1021/ja031836f","","","0.71073","MoKα","","0.1502","0.0602","","","0.1255","0.1441","","","","","","0.896","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112301","23.14","0.003","15.364","0.002","24.814","0.003","90","","90","","90","","8821.9","1.9","296.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C90 H16 Cu2 F40 N8 O4 -","- C92 H16 Cu2 F40 N8 O8 -","- C368 H64 Cu8 F160 N32 O32 -","4","0.5","","Yasuo Tanaka; Wataru Hoshino; Soji Shimizu; Katsuyuki Youfu; Naoki Aratani; Norihiko Maruyama; Shizuo Fujita; Atsuhiro Osuka","Thermal Splitting of Bis-Cu(II) Octaphyrin(1.1.1.1.1.1.1.1) into Two Cu(II) Porphyrins","Journal of the American Chemical Society","2004","126","","3046","3047","10.1021/ja031935t","","","0.7107","MoKα","","","0.077","","","","0.096","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112302","20.2403","0.0009","20.2403","0.0009","24.0482","0.0016","90","","90","","120","","8531.9","0.8","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H8 Cu F20 N4 -","- C44 H8 Cu F20 N4 -","- C396 H72 Cu9 F180 N36 -","9","0.5","","Yasuo Tanaka; Wataru Hoshino; Soji Shimizu; Katsuyuki Youfu; Naoki Aratani; Norihiko Maruyama; Shizuo Fujita; Atsuhiro Osuka","Thermal Splitting of Bis-Cu(II) Octaphyrin(1.1.1.1.1.1.1.1) into Two Cu(II) Porphyrins","Journal of the American Chemical Society","2004","126","","3046","3047","10.1021/ja031935t","","","0.71073","MoKα","","0.0502","0.0469","","","0.1178","0.1203","","","","","","1.102","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112303","10.0038","0.0006","30.3064","0.0019","12.6144","0.0008","90","","109.696","0.001","90","","3600.7","0.4","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Si4 -","- C36 H44 Si4 -","- C144 H176 Si16 -","4","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0934","0.0618","","","0.169","0.1855","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112304","16.087","0.002","4.6626","0.0007","15.988","0.002","90","","108.26","0.003","90","","1138.8","0.3","193","2","193","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H10 O -","- C18 H10 O -","- C72 H40 O4 -","4","2","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0951","0.0513","","","0.1172","0.1363","","","","","","0.889","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112305","8.2248","0.0012","9.9887","0.0015","13.0969","0.0018","77.512","0.004","81.672","0.004","67.844","0.004","970.6","0.2","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C26 H28 -","- C26 H28 -","- C52 H56 -","2","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.1143","0.0558","","","0.0956","0.1117","","","","","","0.844","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112306","4.6014","0.0004","15.5555","0.0013","16.5551","0.0013","90","","90","","90","","1184.97","0.17","273","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 S -","- C18 H10 S -","- C72 H40 S4 -","4","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0468","0.0417","","","0.0932","0.0958","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112307","9.304","0.004","12.17","0.004","16.243","0.006","104.048","0.006","90.555","0.005","107.49","0.005","1694.9","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 Mn1.5 N3 O24 Yb -","- C21 H9 Mn1.5 N3 O24 Yb -","- C42 H18 Mn3 N6 O48 Yb2 -","2","1","","Bin Zhao; Peng Cheng; Xiaoyan Chen; Cai Cheng; Wei Shi; Daizheng Liao; Shiping Yan; Zonghui Jiang","Design and Synthesis of 3d-4f Metal-Based Zeolite-type Materials with a 3D Nanotubular Structure Encapsulated ""Water"" Pipe","Journal of the American Chemical Society","2004","126","","3012","3013","10.1021/ja038784e","","","0.71073","MoKα","","0.0444","0.0359","","","0.084","0.0866","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112308","15.44","0.005","15.44","0.005","16.254","0.012","90","","90","","120","","3356","3","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C21 H18 Mn1.5 N3 O16.5 Yb -","- C21 H15 Mn1.5 N3 O16.5 Yb -","- C84 H60 Mn6 N12 O66 Yb4 -","4","0.166667","","Bin Zhao; Peng Cheng; Xiaoyan Chen; Cai Cheng; Wei Shi; Daizheng Liao; Shiping Yan; Zonghui Jiang","Design and Synthesis of 3d-4f Metal-Based Zeolite-type Materials with a 3D Nanotubular Structure Encapsulated ""Water"" Pipe","Journal of the American Chemical Society","2004","126","","3012","3013","10.1021/ja038784e","","","0.71073","MoKα","","0.1019","0.0503","","","0.1","0.1188","","","","","","1.093","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112309","8.946","0.004","10","0.004","16.443","0.007","90","","90","","90","","1471","1.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DJM2471m","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Norihiro Ikemoto; David M. Tellers; Spencer D. Dreher; Jinchu Liu; Angie Huang; Nelo R. Rivera; Eugenia Njolito; Yi Hsiao; J. Christopher McWilliams; J. Michael Williams; Joseph D. Armstrong; Yongkui Sun; David J. Mathre; Edward J. J. Grabowski; Richard D. Tillyer","Highly Diastereoselective Heterogeneously Catalyzed Hydrogenation of Enamines for the Synthesis of Chiral β-Amino Acid Derivatives","Journal of the American Chemical Society","2004","126","","3048","3049","10.1021/ja038812t","","","0.71073","MoKα","","0.0415","0.0393","","","0.1044","0.1061","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112310","8.007","0.0012","10.4126","0.0016","22.468","0.003","90","","90","","90","","1873.2","0.5","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","djm2831m","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C72 H84 Cl4 N8 O12 -","4","1","","Norihiro Ikemoto; David M. Tellers; Spencer D. Dreher; Jinchu Liu; Angie Huang; Nelo R. Rivera; Eugenia Njolito; Yi Hsiao; J. Christopher McWilliams; J. Michael Williams; Joseph D. Armstrong; Yongkui Sun; David J. Mathre; Edward J. J. Grabowski; Richard D. Tillyer","Highly Diastereoselective Heterogeneously Catalyzed Hydrogenation of Enamines for the Synthesis of Chiral β-Amino Acid Derivatives","Journal of the American Chemical Society","2004","126","","3048","3049","10.1021/ja038812t","","","0.71073","MoKα","","0.0454","0.0371","","","0.0789","0.0815","","","","","","0.934","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112311","12.4683","0.0007","29.6664","0.0015","12.408","0.0005","90","","90","","90","","4589.6","0.4","297","2","297","2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C12 H29 Cl2 N7 O10 Zn -","- C12 H29 Cl2 N7 O10.43 Zn -","- C96 H232 Cl16 N56 O83.44 Zn8 -","8","1","","Michael Subat; Andrew S. Borovik; Burkhard König","Synthetic Creatinine Receptor: Imprinting of a Lewis Acidic Zinc(II)cyclen Binding Site to Shape Its Molecular Recognition Selectivity","Journal of the American Chemical Society","2004","126","","3185","3190","10.1021/ja038980l","","","0.71073","MoKα","","0.0555","0.0469","","","0.1322","0.1386","","","","","","1.063","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112312","7.68","0.005","8.211","0.005","9.594","0.005","96.716","0.005","113.151","0.005","107.298","0.005","511.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,5:4',5'-Bis(bicyclo[2.2.2]octeno)-2,2'-bithiophene radical cation hexafluoroantimonate","","- C20 H22 F6 S2 Sb -","- C20 H22 F6 S2 Sb -","- C20 H22 F6 S2 Sb -","1","0.5","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.0375","0.0345","","","0.081","0.0822","","","","","","1.021","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112313","9.653","0.005","12.687","0.005","13.237","0.005","94.644","0.005","100.024","0.005","98.039","0.005","1571.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4,5:4'',5''-Bis(bicyclo[2.2.2]octeno)- 3',4'-bicyclo[2.2.2]octano-2,2':5',2''- terthiophene radical cation hexafluoroantimonate","","- C31 H34 Cl2 F6 S3 Sb -","- C31 H34 Cl2 F6 S3 Sb -","- C62 H68 Cl4 F12 S6 Sb2 -","2","1","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.0673","0.0605","","","0.1815","0.1856","","","","","","1.088","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112314","7.918","0.005","9.912","0.005","13.964","0.005","109.542","0.005","100.177","0.005","97.274","0.005","996","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,5:4''',5'''-Bis(bicyclo[2.2.2]octeno)- 3',4':3'',4''-bis(bicyclo[2.2.2]octano)- 2,2':5',2'',5'',2'''-quarterthiophene dication bis(hexafluoroantimonate)","","- C40 H42 F12 S4 Sb2 -","- C40 H42 F12 S4 Sb2 -","- C40 H42 F12 S4 Sb2 -","1","0.5","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.0834","0.0509","","","0.081","0.0872","","","","","","1","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112315","11.197","0.005","16.574","0.005","16.88","0.005","79.113","0.005","82.739","0.005","77.222","0.005","2988.3","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4,5:4''''',5'''''-Bis(bicyclo[2.2.2]octeno)- 3',4':3'',4'':3''',4''':3'''',4''''-tetraxis (bicyclo[2.2.2]octeno)- 2,2':5',2'':5'',2''':5''',2'''':5'''',2''''- sexithiophene dication bis(hexafluoroantimonate)","","- C61 H64 Cl2 F12 S6 Sb2 -","- C61 H64 Cl2 F12 S6 Sb2 -","- C122 H128 Cl4 F24 S12 Sb4 -","2","1","","Tohru Nishinaga; Atsushi Wakamiya; Daisuke Yamazaki; Koichi Komatsu","Crystal Structures and Spectroscopic Characterization of Radical Cations and Dications of Oligothiophenes Stabilized by Annelation with Bicyclo[2.2.2]octene Units: Sterically Segregated Cationic Oligothiophenes","Journal of the American Chemical Society","2004","126","","3163","3174","10.1021/ja039434v","","","0.71069","MoKα","","0.1598","0.0644","","","0.0993","0.1226","","","","","","0.878","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112316","15.6475","0.0005","15.6475","0.0005","15.6475","0.0005","90","","90","","90","","3831.2","0.2","298","2","298","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","[Cu(2-pymo)2]n.[Li(H2O)4]n/3(NO3)n/3","","","- C24 H26 Cu3 Li N13 O13 -","- C24 Cu3 Li N13 O12.98 -","- C96 Cu12 Li4 N52 O51.92 -","4","0.0833333","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.0792","0.0631","","","0.181","0.1939","","","","","","1.117","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112317","15.6702","0.0005","15.6702","0.0005","15.6702","0.0005","90","","90","","90","","3847.9","0.2","298","2","298","2","","","","","","","SYNTHETIC","5","P n -3 m :2","-P 4bc 2bc 3","224","[Cu(2-pymo)2]n.(NH4NO3.2H2O)n/3","","","- C24 H24.5 Cu3 N14 O12.25 -","- C24 Cu3 N14.02 O12.29 -","- C96 Cu12 N56.08 O49.16 -","4","0.0833333","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.2206","0.0809","","","0.2247","0.3154","","","","","","0.967","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112318","18.7829","0.0019","11.0197","0.0011","11.4504","0.0011","90","","90","","90","","2370","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(Cu(2-pymo)2)2RbNO3(H2O)]n.nMeOH","","","- C17 H20 Cu2 N9 O10 Rb -","- C17 Cu2 N9 O9 Rb -","- C68 Cu8 N36 O36 Rb4 -","4","1","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","0.71073","MoKα","","0.0813","0.0625","","","0.1778","0.1935","","","","","","1.077","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112319","23.04","0.0015","23.04","0.0015","25.1398","0.0018","90","","90","","120","","11557.3","1.3","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","Hydrated Cu(2-pymo)2","- C8 H8 Cu N4 O3 -","- C7.25 H5.75 Cu N4 O2.5 -","- C261 H207 Cu36 N144 O90 -","36","1","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Mineralomimetic Sodalite- and Muscovite-Type Coordination Frameworks. Dynamic Crystal-to-Crystal Interconversion Processes Sensitive to Ion Pair Recognition","Journal of the American Chemical Society","2004","126","","3014","3015","10.1021/ja039472e","","","1.5418","CuKα","","0.043","","","","","0.057","","","","","","","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112320","9.7529","0.0005","14.7661","0.0007","18.531","0.0009","90","","90.432","0.001","90","","2668.6","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 B5 Cl5 Re2 -","- C20 H30 B5 Cl5 Re2 -","- C80 H120 B20 Cl20 Re8 -","4","1","","Boris Le Guennic; Haijun Jiao; Samia Kahlal; Jean-Yves Saillard; Jean-François Halet; Sundargopal Ghosh; Maoyu Shang; Alicia M. Beatty; Arnold L. Rheingold; Thomas P. Fehlner","Synthesis and Characterization of Hypoelectronic Rhenaboranes. Analysis of the Geometric and Electronic Structures of Species Following Neither Borane nor Metal Cluster Electron-Counting Paradigms","Journal of the American Chemical Society","2004","126","","3203","3217","10.1021/ja039770b","","","0.71073","MoKα","","0.0365","0.0318","","","0.083","0.0902","","","","","","1.095","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112321","9.3182","0.0005","11.6312","0.0007","23.1331","0.0013","90","","93.082","0.001","90","","2503.6","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 B7 Cl Re2 -","- C20 H35 B7 Cl Re2 -","- C80 H140 B28 Cl4 Re8 -","4","1","","Boris Le Guennic; Haijun Jiao; Samia Kahlal; Jean-Yves Saillard; Jean-François Halet; Sundargopal Ghosh; Maoyu Shang; Alicia M. Beatty; Arnold L. Rheingold; Thomas P. Fehlner","Synthesis and Characterization of Hypoelectronic Rhenaboranes. Analysis of the Geometric and Electronic Structures of Species Following Neither Borane nor Metal Cluster Electron-Counting Paradigms","Journal of the American Chemical Society","2004","126","","3203","3217","10.1021/ja039770b","","","0.71073","MoKα","","0.043","0.0347","","","0.0884","0.0972","","","","","","1.064","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112322","12.271","0.004","22.171","0.006","16.232","0.005","90","","108.449","0.005","90","","4189","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H45 F P3 Rh -","- C54 H45 F P3 Rh -","- C216 H180 F4 P12 Rh4 -","4","1","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71073","MoKα","","0.1618","0.0821","","","0.1905","0.2162","","","","","","0.829","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112323","21.483","0.003","18.103","0.002","17.662","0.002","90","","91.646","0.002","90","","6866","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 F2 P4 Rh2 -","- C78 H66 F2 P4 Rh2 -","- C312 H264 F8 P16 Rh8 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71069","MoKα","","0.0778","0.0642","","","0.1816","0.191","","","","","","1.084","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112324","12.3701","0.0012","20.38","0.002","15.7908","0.0016","90","","94.235","0.002","90","","3970","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl F P3 Rh -","- C48 H40 Cl F P3 Rh -","- C192 H160 Cl4 F4 P12 Rh4 -","4","1","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71069","MoKα","","0.0999","0.0466","","","0.0942","0.1151","","","","","","1.005","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112325","12.6873","0.0012","14.2048","0.0014","19.9056","0.0019","90","","93.165","0.002","90","","3581.9","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 Br2 P2 Rh -","- C42 H35 Br2 P2 Rh -","- C168 H140 Br8 P8 Rh4 -","4","0.5","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71073","MoKα","","0.0287","0.0222","","","0.0537","0.0567","","","","","","1.03","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112326","38.807","0.004","14.6424","0.0014","23.566","0.002","90","","124.242","0.002","90","","11069.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H52.5 I3 P3 Rh1.5 -","- C63 H52.5 I3 P3 Rh1.5 -","- C504 H420 I24 P24 Rh12 -","8","1","","Vladimir V. Grushin; William J. Marshall","The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation","Journal of the American Chemical Society","2004","126","","3068","3069","10.1021/ja049844z","","","0.71073","MoKα","","0.0395","0.0277","","","0.0647","0.0705","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112327","20.5414","0.0009","21.3611","0.0009","18.455","0.0008","90","","90","","90","","8097.8","0.6","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C29 H34 O14.5 P Pt Ru5 -","- C29 H34 O14.5 P Pt Ru5 -","- C232 H272 O116 P8 Pt8 Ru40 -","8","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0339","0.0241","","","0.0556","0.0611","","","","","","1.067","","","","has coordinates","180567","2020-10-21","18:00:00",""
"4112328","12.3991","0.0009","12.6807","0.001","16.5292","0.0012","105.157","0.002","104.028","0.002","94.753","0.002","2403.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 O12 P Pt Ru5 -","- C40 H47 O12 P Pt Ru5 -","- C80 H94 O24 P2 Pt2 Ru10 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]","Journal of the American Chemical Society","2004","126","10","3042","3043","10.1021/ja049955y","","","0.71073","MoKα","","0.0431","0.0335","","","0.0741","0.0786","","","","","","1.017","","","","has coordinates","180567","2020-10-21","18:00:00",""
"4112329","13.9323","0.0012","14.6573","0.0012","12.1926","0.0011","90","","90","","90","","2489.8","0.4","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dinickel aspartato-diaqua-oxide tetrahydrate","","- C4 H17 N Ni2 O11 -","- C4 N Ni2 O10 -","- C32 N8 Ni16 O80 -","8","2","","Ekaterina V. Anokhina; Allan J. Jacobson","[Ni2O(l-Asp)(H2O)2].4H2O: A Homochiral 1D Helical Chain Hybrid Compound with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2004","126","","3044","3045","10.1021/ja031836f","powder diffraction","","1.5405","Kα~1~","","","","","","","","0.2784","","3.29","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4112330","12.81","0.002","15.785","0.003","21.78","0.004","96.15","0.005","90.847","0.006","112.399","0.003","4040.9","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H82 Fe2 N O8 P -","- C101 H82 Fe2 N O8 P -","- C202 H164 Fe4 N2 O16 P2 -","2","1","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0605","0.0471","","","0.1155","0.1193","","","","","","0.943","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112331","22.322","0.005","17.485","0.004","25.357","0.005","90","","105.275","0.004","90","","9547","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Fe2(m-O2CArTol)4(4-Ph2Ppy)2]","","","- C119 H98 Cl2 Fe2 N2 O8 P2 -","- C119 H96 Cl2 Fe2 N2 O8 P2 -","- C476 H384 Cl8 Fe8 N8 O32 P8 -","4","0.5","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.1047","0.0815","","","0.1744","0.1853","","","","","","1.203","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112332","13.1023","0.0015","16.1989","0.0018","16.5295","0.0018","108.52","0.002","101.298","0.002","113.08","0.002","2846.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H116 Fe2 N2 O10 P2 -","- C130 H123 Fe2 N2 O11 P2 -","- C130 H123 Fe2 N2 O11 P2 -","1","0.5","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0932","0.0575","","","0.1474","0.1606","","","","","","0.924","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112333","12.595","0.004","15.545","0.005","21.915","0.006","95.539","0.005","90.483","0.005","113.723","0.004","3905","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H79 Cl Fe2 N O8 S -","- C96 H79 Cl Fe2 N O8 S -","- C192 H158 Cl2 Fe4 N2 O16 S2 -","2","1","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0666","0.0454","","","0.095","0.1023","","","","","","0.956","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112334","11.8024","0.0011","14.7291","0.0013","25.142","0.002","94.819","0.002","97.452","0.002","91.443","0.002","4315.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H92 Cl2 Fe2 N2 O8 -","- C109 H90 Cl2 Fe2 N2 O8 -","- C218 H180 Cl4 Fe4 N4 O16 -","2","1","","Emily C. Carson; Stephen J. Lippard","Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes","Journal of the American Chemical Society","2004","126","","3412","3413","10.1021/ja031806c","","","0.71073","MoKα","","0.0961","0.0574","","","0.1096","0.1289","","","","","","0.941","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112335","8.4392","0.0005","10.3744","0.0006","14.1944","0.0008","100.365","0.001","104.927","0.001","109.695","0.001","1080.87","0.11","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Ni(dippe)(trans-crotonitrile)","","","- C18 H37 N Ni P2 -","- C18 H37 N Ni P2 -","- C36 H74 N2 Ni2 P4 -","2","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.0455","0.0435","","","0.1046","0.1056","","","","","","1.246","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112336","14.7082","0.0009","14.3447","0.0009","17.1722","0.0011","90","","104.878","0.001","90","","3501.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(dippe)(allyl)(CNBPh3)","","","- C36 H52 B N Ni P2 -","- C36 H52 B N Ni P2 -","- C144 H208 B4 N4 Ni4 P8 -","4","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.0428","0.031","","","0.0803","0.0838","","","","","","1.066","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112337","10.954","0.001","20.4329","0.0019","21.847","0.002","90","","90.736","0.002","90","","4889.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(dippe)(allyl)][Ph3BCNBPh3]","","","- C54 H67 B2 N Ni P2 -","- C54 H67 B2 N Ni P2 -","- C216 H268 B8 N4 Ni4 P8 -","4","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.0885","0.0485","","","0.1135","0.126","","","","","","0.956","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112338","11.334","0.0012","13.3012","0.0014","24.412","0.003","90","","102.045","0.002","90","","3599.2","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(dippe)(cis-crotonitrile-BPh3)","","","- C36 H52 B N Ni P2 -","- C36 H52 B N Ni P2 -","- C144 H208 B4 N4 Ni4 P8 -","4","1","","Nicole M. Brunkan; Donna M. Brestensky; William D. Jones","Kinetics, Thermodynamics, and Effect of BPh3 on Competitive C-C and C-H Bond Activation Reactions in the Interconversion of Allyl Cyanide by [Ni(dippe)]","Journal of the American Chemical Society","2004","126","","3627","3641","10.1021/ja037002e","","","0.71073","MoKα","","0.12","0.0683","","","0.1582","0.1776","","","","","","0.994","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112339","12.3513","0.0005","5.7088","0.0002","15.6453","0.0006","90","","111.935","0.001","90","","1023.31","0.07","250","","250","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0485","0.0421","","","0.1202","0.1263","","","","","","1.084","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112340","12.3207","0.0005","5.691","0.0002","15.5735","0.0006","90","","111.954","0.001","90","","1012.78","0.07","200","","200","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0477","0.0421","","","0.1194","0.1244","","","","","","1.102","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112341","12.2735","0.0006","5.6572","0.0003","15.4399","0.0007","90","","112.04","0.001","90","","993.71","0.08","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0421","0.0395","","","0.1035","0.1059","","","","","","1.079","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112342","12.2933","0.0007","5.6612","0.0003","15.4447","0.0009","90","","112.103","0.001","90","","995.88","0.1","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.042","0.0393","","","0.1055","0.1081","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112343","12.2763","0.0004","5.6575","0.0002","15.4419","0.0006","90","","112.037","0.001","90","","994.13","0.06","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0433","0.04","","","0.108","0.1107","","","","","","1.097","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112344","12.217","0.003","5.7999","0.0013","15.261","0.004","90","","112.447","0.004","90","","999.4","0.4","335","","335","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0552","0.0474","","","0.1373","0.1459","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112345","12.1902","0.0013","5.7856","0.0006","15.2364","0.0016","90","","112.426","0.002","90","","993.32","0.18","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.05","0.0428","","","0.1269","0.1336","","","","","","1.11","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112346","12.1387","0.0006","5.7622","0.0003","15.1592","0.0008","90","","112.458","0.001","90","","979.9","0.09","250","","250","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0446","0.0398","","","0.1104","0.1145","","","","","","1.091","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112347","12.0949","0.0006","5.7366","0.0003","15.0923","0.0008","90","","112.456","0.001","90","","967.76","0.09","200","","200","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0423","0.0389","","","0.1077","0.1105","","","","","","1.085","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112348","12.0635","0.0005","5.7161","0.0003","15.0384","0.0007","90","","112.454","0.001","90","","958.37","0.08","150","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0413","0.0386","","","0.1035","0.1056","","","","","","1.069","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112349","12.0291","0.0007","5.693","0.0003","14.9738","0.0009","90","","112.464","0.001","90","","947.62","0.09","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0349","0.0328","","","0.0871","0.0888","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112350","12.0365","0.0009","5.6958","0.0004","14.979","0.0011","90","","112.462","0.001","90","","949.01","0.12","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0358","0.0336","","","0.0896","0.0913","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112351","28.661","0.002","28.661","0.002","14.6656","0.0017","90","","90","","120","","10433.1","1.6","194","2","194","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C486 H540 N36 O18 -","18","1","","Artis Klapars; Sean Parris; Kevin W. Anderson; Stephen L. Buchwald","Synthesis of Medium Ring Nitrogen Heterocycles via a Tandem Copper-Catalyzed C-N Bond Formation-Ring-Expansion Process","Journal of the American Chemical Society","2004","126","","3529","3533","10.1021/ja038565t","","","0.71073","MoKα","","0.1146","0.0963","","","0.2802","0.2952","","","","","","1.14","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112352","18.5059","0.0007","18.5059","0.0007","9.9168","0.0007","90","","90","","120","","2941.2","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O1.65 Zn -","- C2 H3 F N4 O1.64933 Zn -","- C36 H54 F18 N72 O29.688 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0265","0.0241","","","0.0631","0.0646","","","","","","1.065","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112353","18.5486","0.0007","18.5486","0.0007","9.8538","0.0007","90","","90","","120","","2936","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O0.86 Zn -","- C2 H3 F N4 O0.854 Zn -","- C36 H54 F18 N72 O15.372 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0252","0.0233","","","0.0636","0.0647","","","","","","1.067","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112354","18.5744","0.0007","18.5744","0.0007","9.8413","0.0007","90","","90","","120","","2940.4","0.3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C2 H3 F N4 O0.16 Zn -","- C2 H3 F N4 O0.155333 Zn -","- C36 H54 F18 N72 O2.796 Zn18 -","18","0.5","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye","Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study","Journal of the American Chemical Society","2004","126","","3576","3586","10.1021/ja039022m","","","0.71073","MoKα","","0.0286","0.027","","","0.0674","0.0683","","","","","","1.072","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112355","8.8308","0.0013","14.646","0.003","12.0651","0.0014","90","","90.954","0.012","90","","1560.2","0.4","294.2","","294.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O -","- C21 H26 O -","- C84 H104 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.098","0.0541","","","0.1504","0.1854","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112356","9.262","0.0005","18.468","0.001","26.192","0.001","90","","90","","90","","4480.2","0.4","173.2","","173.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O -","- C15 H16 O -","- C240 H256 O16 -","16","4","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.1001","0.042","","0.1054","","0.1054","","","0.868","","","0.868","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112357","6.5991","0.0007","19.209","0.001","9.996","0.001","90","","108.534","0.004","90","","1201.4","0.19","173.2","","173.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.0648","0.035","","0.0944","","0.0944","","","0.919","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112358","6.7952","0.0006","6.7557","0.0008","28.909","0.003","90","","92.94","0.01","90","","1325.4","0.2","294.2","","294.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O -","- C18 H20 O -","- C72 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0687","0.053","","0.0584","","0.0497","","","1.613","","","1.551","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112359","17.788","0.002","12.827","0.002","12.96","0.001","90","","104.178","0.007","90","","2867","0.6","294.2","","294.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O -","- C19 H22 O -","- C152 H176 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0619","0.0499","","0.074","","0.0686","","","3.826","","","3.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112360","10.898","0.004","11.213","0.002","7.218","0.006","99.52","0.03","109.01","0.04","62.27","0.02","738.1","0.7","294.2","","294.2","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O -","- C20 H24 O -","- C40 H48 O2 -","2","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.1278","0.0483","","0.0553","","0.0501","","","1.72","","","2.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112361","19.318","0.004","8.282","0.002","10.045","0.001","90","","90","","90","","1607.1","0.5","294.2","","294.2","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H26 O -","- C21 H26 O -","- C84 H104 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0474","0.0414","","0.0496","","0.0494","","","3.495","","","3.676","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112362","6.8295","0.0002","19.8993","0.0006","9.9692","0.0003","90","","107.06","0.001","90","","1295.22","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O -","- C17 H20 O -","- C68 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0791","0.0467","","","0.1209","0.1359","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112363","6.1735","0.0003","10.8013","0.0001","11.4558","0.0002","71.66","0.008","83.76","0.01","78.36","0.01","709.34","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0486","0.0405","","","0.1134","0.1171","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112364","7.2743","0.0002","7.596","0.0002","24.9959","0.0006","90","","90.736","0.001","90","","1381.05","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O -","- C18 H22 O -","- C72 H88 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0686","0.0415","","","0.1069","0.1189","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112365","10.0868","0.0003","12.7692","0.0004","22.9818","0.0007","90","","90","","90","","2960.06","0.16","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O -","- C19 H24 O -","- C152 H192 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0735","0.0515","","","0.1471","0.1683","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112366","11.0402","0.0003","10.0777","0.0003","28.1303","0.0007","90","","90","","90","","3129.77","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O -","- C20 H26 O -","- C160 H208 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0734","0.0487","","","0.129","0.1445","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112367","9.8197","0.0003","10.4119","0.0003","13.0397","0.0003","90","","90","","90","","1333.2","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O -","- C17 H20 O -","- C68 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0824","0.0515","","","0.128","0.1439","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112368","7.957","0.0002","14.1777","0.0004","24.8445","0.0006","90","","90","","90","","2802.76","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O -","- C18 H22 O -","- C144 H176 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.105","0.0551","","","0.1494","0.1743","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112369","6.5562","0.0005","11.0177","0.0008","21.4829","0.0012","90","","87.323","0.004","90","","1550.11","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0605","0.0468","","","0.1694","0.2055","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112370","11.3399","0.0008","6.5515","0.0008","22.473","0.001","90","","97.789","0.006","90","","1654.2","0.2","294.2","","294.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O3 -","- C20 H23.999 O3 -","- C80 H95.996 O12 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0545","0.0403","","0.1262","","0.1262","","","1.916","","","1.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112371","6.2815","0.0004","7.2477","0.0006","18.712","0.0017","79.329","0.009","82.478","0.01","69.225","0.008","780.75","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0443","0.0362","","","0.0937","0.0969","","","","","","1.023","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112372","15.1864","0.0011","6.815","0.0005","14.9981","0.001","90","","90.383","0.004","90","","1552.2","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0623","0.0377","","","0.0867","0.0946","","","","","","0.922","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112373","8.915","0.003","15.248","0.008","23.181","0.005","90","","97.51","0.02","90","","3124","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O -","- C20 H25 O -","- C160 H200 O8 -","8","2","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0889","0.0503","","","0.1387","0.1638","","","","","","1.023","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112374","8.763","0.003","14.06","0.005","11.89","0.002","90","","90.51","0.02","90","","1464.9","0.8","294.2","","294.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O -","- C20 H24 O -","- C80 H96 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","1.5418","CuKα","","0.0894","0.0454","","0.0527","","0.0492","","","2.224","","","2.636","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112375","8.3452","0.0002","12.2264","0.0004","16.0386","0.0005","90","","101.115","0.001","90","","1605.75","0.08","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N4 -","- C20 H12 N4 -","- C80 H48 N16 -","4","1","","Jim-Min Fang; Srinivasan Selvi; Jen-Hai Liao; Zdenek Slanina; Chao-Tsen Chen; Pi-Tai Chou","Fluorescent and Circular Dichroic Detection of Monosaccharides by Molecular Sensors: Bis[(Pyrrolyl)ethynyl]naphthyridine and Bis[(Indolyl)ethynyl]naphthyridine","Journal of the American Chemical Society","2004","126","","3559","3566","10.1021/ja039237w","","","0.71073","MoKα","","0.0759","0.0447","","","0.1371","0.1528","","","","","","1.037","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112376","13.4316","0.0006","25.4173","0.0008","19.5229","0.0012","90","","90","","90","","6665","0.5","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C288 H288 N32 O32 -","16","4","","Jim-Min Fang; Srinivasan Selvi; Jen-Hai Liao; Zdenek Slanina; Chao-Tsen Chen; Pi-Tai Chou","Fluorescent and Circular Dichroic Detection of Monosaccharides by Molecular Sensors: Bis[(Pyrrolyl)ethynyl]naphthyridine and Bis[(Indolyl)ethynyl]naphthyridine","Journal of the American Chemical Society","2004","126","","3559","3566","10.1021/ja039237w","","","0.71073","MoKα","","0.24","0.1005","","","0.207","0.3049","","","","","","1.045","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112377","31.393","0.0004","31.393","0.0004","12.7243","0.0002","90","","90","","120","","10860","0.3","100","0.1","100","","","","","","","","synthesis as described","4","P 6","P 6","168","gramsd","","","- C52 H85 N11 O12 -","- C52 H85 N11 O17.75 -","- C312 H510 N66 O106.5 -","6","1","","Gijsbert M. Grotenbreg; Mattie S. M. Timmer; Antonio L. Llamas-Saiz; Martijn Verdoes; Gijsbert A. van der Marel; Mark J. van Raaij; Herman S. Overkleeft; Mark Overhand","An Unusual Reverse Turn Structure Adopted by a Furanoid Sugar Amino Acid Incorporated in Gramicidin S","Journal of the American Chemical Society","2004","126","","3444","3446","10.1021/ja0397254","","x-ray","1.5418","CuKα","","0.1093","0.0982","","","0.2423","0.259","","","","","","1.072","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112378","8.72","0.0002","16.612","0.0003","13.944","0.0001","90","","102.536","0.001","90","","1971.73","0.06","169.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cl P2 W -","- C16 H30 Cl P2 W -","- C64 H120 Cl4 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","","0.0326","","","","0.0371","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112379","15.2193","0.0002","15.9706","0.0002","17.2664","0.0003","90","","96.322","0.001","90","","4171.27","0.11","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 B F20 P2 W -","- C41 H29 B F20 P2 W -","- C164 H116 B4 F80 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0668","0.0415","","0.05","0.0449","","","","","","","1.393","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112380","27.488","0.0001","15.5223","0.0002","21.3367","0.0003","90","","90","","90","","9103.88","0.18","273.2","","155","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H39 B F20 P2 Si W -","- C43 H37 B F20 P2 Si W -","- C344 H296 B8 F160 P16 Si8 W8 -","8","2","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0363","0.03","","0.0377","0.0366","","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112381","12.822","0.001","14.878","0.001","15.005","0.001","114.902","0.001","110.473","0.001","94.868","0.001","2339.8","0.3","115","1","115","1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H31 B F21 N P2 W -","- C46 H31 B F21 N P2 W -","- C92 H62 B2 F42 N2 P4 W2 -","2","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.71073","MoKα","","0.0626","0.0461","","0.1171","0.1096","","","","1.076","1.118","1.118","","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112382","17.2867","0.0002","9.2357","0.0002","17.8766","0.0004","90","","115.65","0.001","90","","2572.83","0.09","273.2","","142","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H39 Cl P2 Si W -","- C23 H39 Cl P2 Si W -","- C92 H156 Cl4 P8 Si4 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0847","0.0517","","0.0664","0.0599","0.0599","","","","","","1.626","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112383","18.3293","0.0001","17.9586","0.0004","20.499","0.0001","90","","90","","90","","6747.63","0.16","168","","168","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 P2 Si W -","- C35 H50 P2 Si W -","- C280 H400 P16 Si8 W8 -","8","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0868","0.0234","","0.0366","0.0222","0.0222","","","","","","0.646","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112384","16.242","0.0004","16.242","0.0003","33.5243","0.0008","90","","90","","90","","8843.8","0.3","161","","273.2","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C40 H31 B Cl2 F20 P2 W -","- C40 H31 B Cl2 F20 P2 W -","- C320 H248 B8 Cl16 F160 P16 W8 -","8","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0728","0.043","","0.0744","0.0498","0.0498","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112385","23.254","0.002","13.8095","0.0015","25.875","0.003","90","","90","","90","","8309.1","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dipp*SnCH2parat-butylbenzyl)2.0.5hexane","","","- C89 H120 Sn2 -","- C88 H121 Sn2 -","- C352 H484 Sn8 -","4","0.5","","Corneliu Stanciu; Anne F. Richards; Philip P. Power","Characterization of Ar'Sn(μ-Br)Sn(Ar')CH2C6H4-4-Pri (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2): A Stable Structural Analogue for a Heavier Group 14 Element Monobridged Alkene Isomer HM(μ-H)MH2 (M = Sn or Pb)","Journal of the American Chemical Society","2004","126","","4106","4107","10.1021/ja0316871","","","0.71073","MoKα","","0.0877","0.0607","","","0.1607","0.1775","","","","","","0.949","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112386","12.7124","0.0011","13.8727","0.0012","19.8044","0.0018","85.282","0.002","84.227","0.002","67.277","0.002","3201.6","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Dipp*SnparaisopropylbenzylμBrSnDipp*.hexane","","","- C73 H94 Br Sn2 -","- C73 H94 Br Sn2 -","- C146 H188 Br2 Sn4 -","2","1","","Corneliu Stanciu; Anne F. Richards; Philip P. Power","Characterization of Ar'Sn(μ-Br)Sn(Ar')CH2C6H4-4-Pri (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2): A Stable Structural Analogue for a Heavier Group 14 Element Monobridged Alkene Isomer HM(μ-H)MH2 (M = Sn or Pb)","Journal of the American Chemical Society","2004","126","","4106","4107","10.1021/ja0316871","","","0.71073","MoKα","","0.0731","0.0386","","","0.0715","0.0776","","","","","","0.945","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112387","15.7","0.0002","9.996","0.0001","23.482","0.0003","90","","106.632","0.0008","90","","3531.02","0.07","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H51 B12 Br N Na O3 -","- C25 H51 B12 Br N Na O3 -","- C100 H204 B48 Br4 N4 Na4 O12 -","4","1","","Zbyněk Janoušek; Uwe Lehmann; Jakub Častulík; Ivana Císařová; Josef Michl","Li±Induced σ-Bond Metathesis: Aryl for Methyl Exchange on Boron in a Methylated Monocarbadodecaborate Anion","Journal of the American Chemical Society","2004","126","","4060","4061","10.1021/ja0387857","","","0.71073","MoKα","","0.0682","0.0524","","","0.1318","0.1413","","","","","","1.043","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112388","8.063","0.003","8.063","0.003","8.51","0.004","90","","90","","120","","479.1","0.3","223","2","223","2","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- Ag3 Li17 Sn6 -","- Ag3 Li17 Sn6 -","- Ag3 Li17 Sn6 -","1","0.166667","","Corina Lupu; Craig Downie; Arnold M. Guloy; Thomas A. Albright; Jiang-Gao Mao","Li17Ag3Sn6: A Polar Intermetallic π-System with Carbonate-like [AgSn3]11- Anions and Trefoil Aromatic [Ag2Sn3]6- Layers","Journal of the American Chemical Society","2004","126","","4386","4397","10.1021/ja038868n","","","0.71073","MoKα","","0.0508","0.0446","","","0.0977","0.102","","","","","","1.145","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112389","11.098","0.002","11.098","0.002","10.3496","0.0019","90","0.004","90","0.004","120","0.004","1103.9","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56 Ge3 Mn14 -","- Al56 Ge3 Mn14 -","- Al56 Ge3 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0465","0.0431","","","0.0848","0.0865","","","","","","1.072","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112390","11.1018","0.0013","11.1018","0.0013","10.3501","0.0017","90","","90","","120","","1104.7","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56.31 Ge2.69 Mn14 -","- Al56.33 Ge2.67 Mn14 -","- Al56.33 Ge2.67 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0255","0.0234","","","0.0505","0.0514","","","","","","1.036","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112391","11.103","0.002","11.103","0.002","10.3537","0.0019","90","0.004","90","0.004","120","0.004","1105.4","0.3","298","2","298","2","","","","","","","","3","P -3","-P 3","147","","","","- Al56.61 Ge2.39 Mn14 -","- Al56.612 Ge2.388 Mn14 -","- Al56.612 Ge2.388 Mn14 -","1","0.166667","","Li-Ming Wu; Dong-Kyun Seo","Mn14Al56+xGe3-x (x= 0-0.6): A New Intermetallic Phase Containing Unprecedented ""Half-Broken"" Mackay Icosahedra as Building Units","Journal of the American Chemical Society","2004","126","","4398","4403","10.1021/ja039154f","","","0.71073","MoKα","","0.0454","0.0376","","","0.065","0.0679","","","","","","1.077","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112392","14.517","0.002","9.7011","0.0013","16.816","0.002","90","","99.82","0.002","90","","2333.5","0.5","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cl4 N4 O4 S6 -","- C42 H50 Cl4 N4 O4 S6 -","- C84 H100 Cl8 N8 O8 S12 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0529","0.0381","","","0.0981","0.1035","","","","","","1.044","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112393","22.497","0.002","5.3135","0.0005","18.5971","0.0017","90","","111.039","0.001","90","","2074.9","0.3","158","2","158","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N4 S4 -","- C20 H22 N4 S4 -","- C80 H88 N16 S16 -","4","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0391","0.0339","","","0.0822","0.0841","","","","","","1.074","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112394","22.664","0.006","5.1881","0.0014","22.754","0.006","90","","113.443","0.004","90","","2454.6","1.1","158","2","158","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 N2 O2 S2 -","- C11 H12 N2 O2 S2 -","- C88 H96 N16 O16 S16 -","8","1","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0382","0.0294","","","0.0726","0.0771","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112395","11.12","0.006","5.343","0.003","18.816","0.009","90","","97.526","0.008","90","","1108.3","1","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N4 O4 S2 -","- C22 H22 N4 O4 S2 -","- C44 H44 N8 O8 S4 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0551","0.0345","","","0.0823","0.0894","","","","","","1.031","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112396","16.161","0.0001","4.9769","0.0001","15.2177","0.0002","90","","100.91","0.001","90","","1201.86","0.03","158","2","158","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 S2 -","- C26 H42 S2 -","- C52 H84 S4 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.0317","0.0288","","","0.0806","0.0826","","","","","","1.076","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112397","13.7879","0.0011","5.19","0.0004","22.585","0.002","90","","100.926","0.002","90","","1586.9","0.2","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N4 S4 -","- C32 H38 N4 S4 -","- C64 H76 N8 S8 -","2","0.5","","M. David Curtis; Jie Cao; Jeff W. Kampf","Solid-State Packing of Conjugated Oligomers: From π-Stacks to the Herringbone Structure","Journal of the American Chemical Society","2004","126","","4318","4328","10.1021/ja0397916","","","0.71073","MoKα","","0.1252","0.0588","","0.1134","0.0939","","","","1.008","1.163","1.163","","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112398","10.288","0.002","15.757","0.003","20.811","0.004","90","","90","0.004","90","","3373.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromoiron(III)2-aza-21-carba-5,10,15,20-tetraphenylporphyrin","","- C44 H28 Br Fe N4 -","- C44 H28 Br Fe N4 -","- C176 H112 Br4 Fe4 N16 -","4","1","","Krystyna Rachlewicz; Sian-Ling Wang; Jia-Ling Ko; Chen-Hsiung Hung; Lechosław Latos-Grażyński","Oxidation and Oxygenation of Iron Complexes of 2-Aza-21-carbaporphyrin","Journal of the American Chemical Society","2004","126","","4420","4431","10.1021/ja039792y","","","0.71073","MoKα","","0.2401","0.0449","","","0.091","0.1586","","","","","","0.583","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112399","33.229","0.004","13.2249","0.0015","18.102","0.002","90","","94.06","0.002","90","","7935","1.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bromoiron(III) 2-aza-21-carba-21-oxo-5,10,15,20-tetraphenylporphyrin toluene solvate","","- C51 H36 Br Fe N4 O -","- C51 H28 Br Fe N4 O -","- C408 H224 Br8 Fe8 N32 O8 -","8","1","","Krystyna Rachlewicz; Sian-Ling Wang; Jia-Ling Ko; Chen-Hsiung Hung; Lechosław Latos-Grażyński","Oxidation and Oxygenation of Iron Complexes of 2-Aza-21-carbaporphyrin","Journal of the American Chemical Society","2004","126","","4420","4431","10.1021/ja039792y","","","0.71073","MoKα","","0.1616","0.051","","","0.1043","0.1606","","","","","","1.034","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112400","7.7451","0.0005","10.4763","0.0006","15.3434","0.0006","90","","90","","90","","1244.96","0.12","298","2","298","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Sape S. Kinderman; René de Gelder; Jan H. van Maarseveen; Hans E. Schoemaker; Henk Hiemstra; Floris P. J. T. Rutjes","Amidopalladation of Alkoxyallenes Applied in the Synthesis of an Enantiopure 1-Ethylquinolizidine Frog Alkaloid","Journal of the American Chemical Society","2004","126","","4100","4101","10.1021/ja039919j","","","0.71073","MoKα","","0.0834","0.0442","","0.0813","0.073","0.0813","","","1.058","","","1.058","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112401","13.1593","0.0003","13.2888","0.0006","6.9813","0.0006","90","","100.367","0.003","90","","1200.9","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Cheol-Kyu Jung; Jian-Cheng Wang; Michael J. Krische","Phosphine-Mediated Reductive Condensation of γ-Acyloxy Butynoates: A Diversity Oriented Strategy for the Construction of Substituted Furans","Journal of the American Chemical Society","2004","126","","4118","4119","10.1021/ja049377l","","","0.71073","MoKα","","0.2318","0.1881","","","0.1504","0.1552","","","","","","2.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112402","13.33","0.002","7.2301","0.0013","11.752","0.002","90","","90","","90","","1132.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0311","0.0307","","","0.0828","0.0835","","","","","","0.969","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112403","8.5846","0.0018","9.831","0.002","17.87","0.004","86.769","0.004","84.258","0.004","74.577","0.004","1445.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","2","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0623","0.0561","","","0.1134","0.116","","","","","","1.23","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112404","7.5035","0.0015","8.0281","0.0016","16.113","0.003","90","","93.876","0.004","90","","968.4","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N4 O6 -","- C19 H17 Br N4 O6 -","- C38 H34 Br2 N8 O12 -","2","1","","Yuhei Yamamoto; Hisashi Yamamoto","Catalytic, Highly Enantio, and Diastereoselective Nitroso Diels-Alder Reaction","Journal of the American Chemical Society","2004","126","","4128","4129","10.1021/ja049849w","","","0.71073","MoKα","","0.0362","0.0331","","","0.0719","0.0728","","","","","","0.958","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112405","15.611","0.0008","9.5413","0.0004","10.5184","0.0004","90","","90","","90","","1566.71","0.12","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Hye-Young Jang; Ryan R. Huddleston; Michael J. Krische","Hydrogen-Mediated C-C Bond Formation: Catalytic Regio- and Stereoselective Reductive Condensation of α-Keto Aldehydes and 1,3-Enynes","Journal of the American Chemical Society","2004","126","","4664","4668","10.1021/ja0316566","","","0.71073","MoKα","","0.1551","0.0497","","","0.0805","0.1034","","","","","","0.993","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112406","25.145","0.003","17.77","0.003","16.346","0.003","90","","97.789","0.003","90","","7236","2","100","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Zirconium","Zirconium Disilyl triamdie and Zirconium pentaamide dilithium tetra THF","","- C64 H118 Li2 N8 O4 Si2 Zr2 -","- C64 H118 Li2 N8 O4 Si2 Zr2 -","- C256 H472 Li8 N32 O16 Si8 Zr8 -","4","0.5","","Xianghua Yu; Hu Cai; Ilia A. Guzei; Ziling Xue","Unusual Equilibria Involving Group 4 Amides, Silyl Complexes, and Silyl Anions via Ligand Exchange Reactions","Journal of the American Chemical Society","2004","126","","4472","4473","10.1021/ja031899y","","","0.71073","MoKα","","0.0567","0.0396","","","0.103","0.1169","","","","","","1.041","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112407","16.4939","0.001","19.6187","0.0012","16.9722","0.001","90","","112.471","0.001","90","","5075","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H21 Al F28 Zr -","- C58 H21 Al F28 Zr -","- C232 H84 Al4 F112 Zr4 -","4","1","","Ming-Chou Chen; John A. S. Roberts; Tobin J. Marks","Marked Counteranion Effects on Single-Site Olefin Polymerization Processes. Correlations of Ion Pair Structure and Dynamics with Polymerization Activity, Chain Transfer, and Syndioselectivity","Journal of the American Chemical Society","2004","126","","4605","4625","10.1021/ja036288k","","","0.71073","MoKα","","0.0818","0.0503","","","0.1206","0.1374","","","","","","0.981","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112408","13.5302","0.0018","26.815","0.004","12.4684","0.0016","90","","116.673","0.002","90","","4042.3","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 B F15 Zr -","- C48 H32 B F15 Zr -","- C192 H128 B4 F60 Zr4 -","4","1","","Ming-Chou Chen; John A. S. Roberts; Tobin J. Marks","Marked Counteranion Effects on Single-Site Olefin Polymerization Processes. Correlations of Ion Pair Structure and Dynamics with Polymerization Activity, Chain Transfer, and Syndioselectivity","Journal of the American Chemical Society","2004","126","","4605","4625","10.1021/ja036288k","","","0.71073","MoKα","","0.1542","0.0548","","","0.1079","0.1344","","","","","","0.88","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112409","29.782","0.002","14.5982","0.0012","20.4603","0.0016","90","","90.156","0.001","90","","8895.4","1.2","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C30 H61 Cl2 N11 O14 Pt S -","- C30 H46 Cl2 N11 O14 Pt S -","- C240 H368 Cl16 N88 O112 Pt8 S8 -","8","2","","Hemanta Baruah; Cynthia S. Day; Marcus W. Wright; Ulrich Bierbach","Metal-Intercalator-Mediated Self-Association and One-Dimensional Aggregation in the Structure of the Excised Major DNA Adduct of a Platinum-Acridine Agent","Journal of the American Chemical Society","2004","126","","4492","4493","10.1021/ja038592j","","x-ray","0.71073","MoKα","","0.0563","0.0414","","","0.0918","0.0966","","","","","","1.002","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112410","12.3457","0.0001","12.7898","0.0001","35.4098","0.0002","81.265","0.006","82.568","0.006","59.937","0.008","4773.6","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Chlorocadmium(II) 6,11,16,21-Tetraphenyl-m-benziporphyrin chloroform 1.5 solvate, dodecane 0.25 solvate","","- C52.5 H35 Cd Cl5.5 N3 -","- C53.55 H35.5105 Cd Cl6.137 N3 -","- C214.2 H142.042 Cd4 Cl24.548 N12 -","4","2","","Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka","Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions","Journal of the American Chemical Society","2004","126","","4566","4580","10.1021/ja039384u","","","0.71073","MoKα","","0.1241","0.0676","","","0.1514","0.1715","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112411","10.2718","0.0007","12.3465","0.001","20.0001","0.0013","107.586","0.007","96.073","0.006","101.455","0.007","2332.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chloronickel(II) 6,11,16,21-tetraphenyl-m-benziporphyrin chloroform trisolvate","","- C49 H33 Cl10 N3 Ni -","- C49 H33 Cl10 N3 Ni -","- C98 H66 Cl20 N6 Ni2 -","2","1","","Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka","Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions","Journal of the American Chemical Society","2004","126","","4566","4580","10.1021/ja039384u","","","0.71073","MoKα","","0.0931","0.0538","","","0.1057","0.1212","","","","","","1.032","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112412","8.858","0.001","13.782","0.001","18.2964","0.001","68.408","0.006","85.394","0.005","75.773","0.005","2013.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Chloronickel(II) 5,10,15,20-Tetraphenyl-p-benziporphyrin dichloromethane disolvate","","- C48 H34 Cl5 N3 Ni -","- C48 H34 Cl5.034 N3 Ni -","- C96 H68 Cl10.068 N6 Ni2 -","2","1","","Marcin Stępień; Lechosław Latos-Grażyński; Ludmiła Szterenberg; Jarosław Panek; Zdzisław Latajka","Cadmium(II) and Nickel(II) Complexes of Benziporphyrins. A Study of Weak Intramolecular Metal-Arene Interactions","Journal of the American Chemical Society","2004","126","","4566","4580","10.1021/ja039384u","","","0.71073","MoKα","","0.1051","0.0676","","","0.176","0.1948","","","","","","1.13","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112413","15.8965","0.0008","15.8965","0.0008","6.8206","0.0005","90","","90","","90","","1723.56","0.18","293","2","173","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ge3 Sb5 Yb8 -","- Ge3 Sb5 Yb8 -","- Ge12 Sb20 Yb32 -","4","0.125","","James R. Salvador; Daniel Bilc; S. D. Mahanti; Tim Hogan; Fu Guo; Mercouri G. Kanatzidis","Yb8Ge3Sb5, a Metallic Mixed-Valent Zintl Phase Containing the Polymeric 1\ιnfty[Ge34-] Anions","Journal of the American Chemical Society","2004","126","","4474","4475","10.1021/ja0395487","","","0.71073","MoKα","","0.0308","0.0276","","","0.064","0.065","","","","","","1.264","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112414","10.5805","0.0007","12.4401","0.0008","18.6906","0.0012","90","","90","","90","","2460.1","0.3","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 Cl8 N2 Pd -","- C17 H28 Cl8 N2 Pd -","- C68 H112 Cl32 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0436","0.0332","","","0.0526","0.0538","","","","","","1.367","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112415","10.3598","0.0002","22.2422","0.0003","10.8117","0.0002","90","","104.302","0.001","90","","2414.07","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H31 Cl F6 N3 Pd Sb -","- C20 H31 Cl F6 N3 Pd Sb -","- C80 H124 Cl4 F24 N12 Pd4 Sb4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0709","0.0503","","","0.0842","0.0864","","","","","","1.664","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112416","12.3773","0.0002","13.1425","0.0002","18.706","0.0003","90","","90","","90","","3042.88","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Cl F6 N3 Pd Sb -","- C29 H41 Cl F6 N3 Pd Sb -","- C116 H164 Cl4 F24 N12 Pd4 Sb4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.045","0.0313","","","0.0489","0.0507","","","","","","1.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112417","14.8633","0.0003","13.4427","0.0003","15.0189","0.0003","90","","98.541","0.001","90","","2967.54","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H36 Cl5 F3 N2 O Pd -","- C25 H36 Cl5 F3 N2 O Pd -","- C100 H144 Cl20 F12 N8 O4 Pd4 -","4","2","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0826","0.0401","","","0.0608","0.0669","","","","","","0.987","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112418","9.2815","0.0003","11.4873","0.0004","15.1073","0.0005","90","","90","","90","","1610.73","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl2 N2 Pd -","- C15 H26 Cl2 N2 Pd -","- C60 H104 Cl8 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0452","0.0317","","","0.0525","0.0542","","","","","","1.139","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112419","23.56","0.005","13.386","0.003","15.539","0.003","90","","124.76","0.03","90","","4026","2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrabutylammonium superoxide ammoniate","Tetrabutylammonium hyperoxide ammoniate","","- C16 H43.5 N3.5 O2 -","- C16 H43.5 N3.5 O2 -","- C128 H348 N28 O16 -","8","1","","Pascal D. C. Dietzel; Reinhard K. Kremer; Martin Jansen","Tetraorganylammonium Superoxide Compounds: Close to Unperturbed Superoxide Ions in the Solid State","Journal of the American Chemical Society","2004","126","","4689","4696","10.1021/ja039880i","","","0.56085","AgKα","","0.0786","0.0576","","","0.1293","0.1413","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112420","7.0496","0.0011","9.9887","0.0014","12.55","0.002","90","","90","","90","","883.7","0.2","123","2","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Trimethylphenylammonium hyperoxide","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Pascal D. C. Dietzel; Reinhard K. Kremer; Martin Jansen","Tetraorganylammonium Superoxide Compounds: Close to Unperturbed Superoxide Ions in the Solid State","Journal of the American Chemical Society","2004","126","","4689","4696","10.1021/ja039880i","","","0.71073","MoKα","","0.0633","0.0439","","","0.1057","0.1178","","","","","","1.051","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112421","12.9","0.002","10.3505","0.0017","20.172","0.003","90","","97.446","0.002","90","","2670.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","pentaerythritol-tetrakis(2,3,5,6-tetrafluoro-4iodophenyl)ether. trans-1,2-(4-pyridyl)ethylene","","- C53 H28 F16 I4 N4 O4 -","- C53 H28 F16 I4 N4 O4 -","- C106 H56 F32 I8 N8 O8 -","2","0.5","","Tullio Caronna; Rosalba Liantonio; Thomas A. Logothetis; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Halogen Bonding and π...π Stacking Control Reactivity in the Solid State","Journal of the American Chemical Society","2004","126","","4500","4501","10.1021/ja039884n","","","0.71073","MoKα","","0.0432","0.0332","","","0.1051","0.1104","","","","","","1.037","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112422","22.805","0.005","15.455","0.003","15.417","0.003","90","","129.68","0.03","90","","4182","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","pentaerythritol-tetrakis(2,3,5,6-tetrafluoro-4iodophenyl)ether. 1,2-diaminoethane","","- C33 H24 F16 I4 N4 O4 -","- C33 H16 F16 I4 N4 O4 -","- C132 H64 F64 I16 N16 O16 -","4","0.5","","Tullio Caronna; Rosalba Liantonio; Thomas A. Logothetis; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","Halogen Bonding and π...π Stacking Control Reactivity in the Solid State","Journal of the American Chemical Society","2004","126","","4500","4501","10.1021/ja039884n","","","0.71073","MoKα","","0.0571","0.0423","","","0.1168","0.127","","","","","","1.076","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112423","13.8476","0.0009","14.5772","0.0009","20.3589","0.0013","90","","90","","90","","4109.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B Fe P3 -","- C51 H48 B Fe P3 -","- C204 H192 B4 Fe4 P12 -","4","1","","Steven D. Brown; Jonas C. Peters","Hydrogenolysis of [PhBP3]Fe\τbN-p-tolyl: Probing the Reactivity of an Iron Imide with H2","Journal of the American Chemical Society","2004","126","","4538","4539","10.1021/ja0399122","","","0.71073","MoKα","","0.0937","0.0478","","","0.0629","0.0688","","","","","","1.13","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112424","10.0087","0.0009","14.834","0.0013","15.285","0.0013","80.11","0.002","77.925","0.002","87.176","0.002","2186","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H49 B Fe N P3 -","- C52 H49 B Fe N P3 -","- C104 H98 B2 Fe2 N2 P6 -","2","1","","Steven D. Brown; Jonas C. Peters","Hydrogenolysis of [PhBP3]Fe\τbN-p-tolyl: Probing the Reactivity of an Iron Imide with H2","Journal of the American Chemical Society","2004","126","","4538","4539","10.1021/ja0399122","","","0.71073","MoKα","","0.0776","0.0489","","","0.0813","0.0846","","","","","","1.956","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112425","9.1867","0.0004","13.3083","0.0006","13.6383","0.0007","87.887","0.001","78.346","0.001","77.745","0.001","1595.79","0.13","193","2","193","2","","","","","","","","5","P -1","-P 1","2","holjv21","bis(diketiminate)mu-sulfidodiiron(ii)","","- C58 H82 Fe2 N4 S -","- C58 H82 Fe2 N4 S -","- C58 H82 Fe2 N4 S -","1","0.5","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0828","0.075","","","0.2165","0.2233","","","","","","1.067","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112426","8.926","0.0006","13.2286","0.0009","13.8214","0.001","87.708","0.001","80.563","0.001","78.737","0.001","1578.86","0.19","193","2","193","2","","","","","","","","5","P 1","P 1","1","1(MeCN)","","","- C60 H85 Fe2 N5 S -","- C60 H85 Fe2 N5 S -","- C60 H85 Fe2 N5 S -","1","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0837","0.0668","","","0.1799","0.2005","","","","","","1.082","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112427","14.7025","0.0013","16.3018","0.0014","25.56","0.002","90","","90","","90","","6126.1","0.9","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1(H2NNHMe)2","","","- C60 H94 Fe2 N8 S -","- C60 H94 Fe2 N8 S -","- C240 H376 Fe8 N32 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0613","0.0478","","","0.0944","0.0994","","","","","","1.111","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112428","18.143","0.003","14.296","0.002","24.361","0.004","90","","92.63","0.003","90","","6311.9","1.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1(H2NNMe2)2","","","- C62 H98 Fe2 N8 S -","- C62 H98 Fe2 N8 S -","- C248 H392 Fe8 N32 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0748","0.0508","","","0.1111","0.1201","","","","","","1.061","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112429","19.4","0.003","15.347","0.002","22.89","0.003","90","","93.836","0.002","90","","6799.8","1.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1(NH3)2","","","- C68 H112 Fe2 N6 S -","- C68 H112 Fe2 N6 S -","- C272 H448 Fe8 N24 S4 -","4","0.5","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0657","0.0526","","","0.1455","0.1556","","","","","","1.033","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112430","14.4629","0.0014","36.477","0.004","14.7829","0.0015","90","","112.165","0.002","90","","7222.6","1.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2","","","- C72 H109 Fe2 N6 O2 S -","- C72 H109 Fe2 N6 O2 S -","- C288 H436 Fe8 N24 O8 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.1679","0.0825","","","0.1838","0.219","","","","","","1.028","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112431","15.7269","0.0002","15.763","0.0002","38.0222","0.0005","90","","90","","90","","9425.8","0.2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H62 Cl18 Cu4 N24 O -","- C72 H62 Cl18 Cu4 N24 O -","- C288 H248 Cl72 Cu16 N96 O4 -","4","1","","Serhiy Demeshko; Sebastian Dechert; Franc Meyer","Anion-π Interactions in a Carousel Copper(II)-Triazine Complex","Journal of the American Chemical Society","2004","126","","4508","4509","10.1021/ja049458h","","","0.71073","MoKα","","0.0566","0.0509","","","0.1241","0.1267","","","","","","1.081","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112432","8.5003","0.0006","14.3615","0.001","17.5727","0.0013","90","","90","","90","","2145.2","0.3","123","2","123","2","","","","","","","chemical synthesis","5","P n m a","-P 2ac 2n","62","","Potassium 18-crown-6 nitrobenzenide","","- C18 H29 K N O8 -","- C18 H29 K N O8 -","- C72 H116 K4 N4 O32 -","4","0.5","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.0659","0.048","","0.1494","0.1222","","","","1.064","1.081","1.081","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112433","10.6","0.0005","7.6557","0.0004","26.779","0.0012","90","","97.338","0.001","90","","2155.33","0.18","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","Rubidium 18-crown-6 nitrobenzenide","","- C18 H29 N O8 Rb -","- C18 H29 N O8 Rb -","- C72 H116 N4 O32 Rb4 -","4","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.054","0.0355","","0.0943","0.0801","","","","1.027","1.067","1.067","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112434","26.22","0.002","8.3768","0.0005","22.3046","0.0013","90","","108.334","0.001","90","","4650.3","0.5","123","2","123","2","","","","","","","chemical synthesis","5","C 1 2/c 1","-C 2yc","15","","Bis(cesium 18-crown-6 nitrobenzenide)","","- C18 H29 Cs N O8 -","- C18 H29 Cs N O8 -","- C144 H232 Cs8 N8 O64 -","8","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.108","0.0518","","0.1372","0.1085","","","","1.006","1.087","1.087","","","","","has coordinates","270822","2021-11-23","08:35:57",""
"4112435","8.5177","0.0005","12.4319","0.0007","26.1918","0.0014","99.078","0.001","93.002","0.001","102.619","0.001","2661.7","0.3","123","2","123","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","Bis(cesium 18-crown-6 nitrobenzenide) tetrahydrofurane disolvate","","- C44 H74 Cs2 N2 O18 -","- C44 H74 Cs2 N2 O18 -","- C88 H148 Cs4 N4 O36 -","2","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.055","0.0399","","0.1053","0.096","","","","1.026","1.077","1.077","","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112436","15.7997","0.0008","10.113","0.0005","17.4795","0.0009","90","","98.022","0.001","90","","2765.6","0.2","123","2","123","2","","","","","","","chemical synthesis","5","P 1 2/n 1","-P 2yac","13","","Potassium [2.2.2]cryptand nitrobenzenide","","- C24 H41 K N3 O8 -","- C24 H41 K N3 O8 -","- C96 H164 K4 N12 O32 -","4","1","","Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi","Crystallographic Distinction between ""Contact"" and ""Separated"" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides","Journal of the American Chemical Society","2004","126","","4557","4565","10.1021/ja049856k","","","0.71073","MoKα","","0.0435","0.0389","","0.1129","0.1042","","","","1.025","1.046","1.046","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112437","13.083","0.0007","13.318","0.0004","22.207","0.001","89.659","0.003","88.87","0.002","61.283","0.003","3392.7","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","Bis[bis(tetrahydrofuran)potassium(I)] tetrakis(di-tert-butylmethylsilyl)- tetrasilacyclobutadiene dianion","","- C52 H116 K2 O4 Si8 -","- C52 H116 K2 O4 Si8 -","- C104 H232 K4 O8 Si16 -","2","1","","Vladimir Ya. Lee; Kazunori Takanashi; Tadahiro Matsuno; Masaaki Ichinohe; Akira Sekiguchi","Cyclobutadiene Dianions Consisting of Heavier Group 14 Elements: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","4758","4759","10.1021/ja030662z","","","0.7107","MoKα","","0.0607","0.0532","","","0.1472","0.1535","","","","","","1.018","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112438","21.52","0.02","11.188","0.011","13.016","0.012","90","","98.308","0.017","90","","3101","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 O4 Zr -","- C34 H42 O4 Zr -","- C136 H168 O16 Zr4 -","4","0.5","","Andrew D. Bolig; Eugene Y.-X. Chen","ansa-Zirconocene Ester Enolates: Synthesis, Structure, Reaction with Organo-Lewis Acids, and Application to Polymerization of Methacrylates","Journal of the American Chemical Society","2004","126","","4897","4906","10.1021/ja031558k","","","0.71073","MoKα","","0.0857","0.0721","","","0.1659","0.1741","","","","","","1.133","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112439","27.806","0.004","17.103","0.002","20.876","0.003","90","","122.463","0.003","90","","8377","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H40 Al F15 O2 Zr -","- C48 H26 Al F15 O2 Zr -","- C384 H208 Al8 F120 O16 Zr8 -","8","1","","Andrew D. Bolig; Eugene Y.-X. Chen","ansa-Zirconocene Ester Enolates: Synthesis, Structure, Reaction with Organo-Lewis Acids, and Application to Polymerization of Methacrylates","Journal of the American Chemical Society","2004","126","","4897","4906","10.1021/ja031558k","","","0.71073","MoKα","","0.0848","0.0482","","","0.1112","0.129","","","","","","1.014","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112440","11.888","0.002","11.705","0.002","14.454","0.003","90","","108.38","0.03","90","","1908.7","0.7","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 Pt -","- C24 H16 N2 Pt -","- C96 H64 N8 Pt4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71073","MoKα","","0.0348","0.0296","","","0.0758","0.0781","","","","","","1.068","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112441","11.088","0.002","9.964","0.002","17.186","0.003","90","","92.09","0.03","90","","1897.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 F5 N2 Pt -","- C24 H11 F5 N2 Pt -","- C96 H44 F20 N8 Pt4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71069","MoKα","","0.0725","0.0682","","","0.1624","0.165","","","","","","1.055","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112442","11.903","0.002","12.626","0.002","13.205","0.002","90","","101.08","0.02","90","","1947.6","0.6","301.2","","301.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 Pt Si -","- C21 H20 N2 Pt Si -","- C84 H80 N8 Pt4 Si4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.7107","MoKalpha","","","0.0449","","","0.0622","","","","","1.466","1.466","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112443","14.684","0.003","11.146","0.002","12.828","0.003","90","","98.74","0.03","90","","2075.2","0.8","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 Pt Si -","- C23 H20 N2 Pt Si -","- C92 H80 N8 Pt4 Si4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71073","MoKα","","0.0554","0.0384","","","0.0943","0.0992","","","","","","0.932","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112444","15.404","0.003","12.178","0.002","12.178","0.002","90","","97.34","0.03","90","","2265.7","0.7","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 Pt Si -","- C25 H20 N2 Pt Si -","- C100 H80 N8 Pt4 Si4 -","4","1","","Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee","Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence","Journal of the American Chemical Society","2004","126","","4958","4971","10.1021/ja0317776","","","0.71073","MoKα","","0.0717","0.041","","","0.0953","0.1109","","","","","","1.006","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112445","13.148","0.003","13.946","0.003","15.706","0.003","87.86","0.03","66.68","0.03","81.96","0.03","2618.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Cu2L5(CN)](ClO4)3.2CH3CN.4H2O","","","- C41 H68 Cl3 Cu2 N11 O16 -","- C41 H51 Cl3 Cu2 N11 O16 -","- C82 H102 Cl6 Cu4 N22 O32 -","2","1","","Tongbu Lu; Xiaomei Zhuang; Yanwu Li; Shi Chen","C-C Bond Cleavage of Acetonitrile by a Dinuclear Copper(II) Cryptate","Journal of the American Chemical Society","2004","126","","4760","4761","10.1021/ja031874z","","","0.71073","MoKα","","0.0849","0.0526","","","0.1327","0.1427","","","","","","1.081","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112446","27.388","0.007","48.097","0.013","7.307","0.002","90","","90","","90","","9625","4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","[Me2NN]Co(toluene)","","","- C28 H33 Co N2 -","- C28 H33 Co N2 -","- C448 H528 Co16 N32 -","16","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.0997","0.0498","","","0.0684","0.0766","","","","","","0.872","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112447","20.74","0.03","8.495","0.013","23.318","0.017","90","","108.55","0.06","90","","3895","9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Me2NN]Co}2(m-O)2","","","- C21 H25 Co N2 O -","- C21 H25 Co N2 O -","- C168 H200 Co8 N16 O8 -","8","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.098","0.0537","","","0.1257","0.1416","","","","","","1.022","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112448","11.081","0.003","11.487","0.003","11.586","0.003","99.587","0.004","103.088","0.004","111.907","0.004","1280.3","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","{[Me2NN]Co}2(m-NAr)2","","","- C29 H34 Co N3 -","- C29 H34 Co N3 -","- C58 H68 Co2 N6 -","2","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.1172","0.0577","","","0.1326","0.1459","","","","","","0.874","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112449","7.2103","0.0014","18.185","0.004","20.516","0.004","90","","90","","90","","2690","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","{Me2NN]Co=NAd","","","- C31 H40 Co N3 -","- C31 H40 Co N3 -","- C124 H160 Co4 N12 -","4","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.129","0.0494","","","0.074","0.0874","","","","","","0.821","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112450","10.78","0.0015","21.782","0.003","19.294","0.003","90","","90.198","0.005","90","","4530.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{Me2NN]Co}2(m-O)(m-NAr)","","","- C50 H59 Co2 N5 O -","- C50 H59 Co2 N5 O -","- C200 H236 Co8 N20 O4 -","4","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.0835","0.0462","","","0.115","0.1266","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112451","13.038","0.001","16.812","0.001","22.199","0.002","90","","90","","90","","4865.9","0.6","200","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H19 Cl2 F20 I O2 P2 Ru -","- C50 H19 Cl2 F20 I O2 P2 Ru -","- C200 H76 Cl8 F80 I4 O8 P8 Ru4 -","4","1","","Valérie Alezra; Gérald Bernardinelli; Clémence Corminboeuf; Urban Frey; E. Peter Kündig; André E. Merbach; Christophe M. Saudan; Florian Viton; Jacques Weber","[CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies","Journal of the American Chemical Society","2004","126","","4843","4853","10.1021/ja0374123","","","1.5418","CuKα","","","0.043","","","","0.042","","","","","","1.81","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112452","13.4024","0.0007","19.3137","0.001","24.1839","0.0015","90","","90","","90","","6260","0.6","200","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H33 F26 O4 P2 Ru Sb -","- C56 H33 F26 O4 P2 Ru Sb -","- C224 H132 F104 O16 P8 Ru4 Sb4 -","4","1","","Valérie Alezra; Gérald Bernardinelli; Clémence Corminboeuf; Urban Frey; E. Peter Kündig; André E. Merbach; Christophe M. Saudan; Florian Viton; Jacques Weber","[CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies","Journal of the American Chemical Society","2004","126","","4843","4853","10.1021/ja0374123","","","0.71073","MoKα","","","0.042","","","","0.047","","","","","","1.62","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112453","20.065","0.011","5.741","0.003","7.394","0.004","90","","96.042","0.01","90","","847","0.8","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H10 F N O4 -","- C8 H10 F N O4 -","- C32 H40 F4 N4 O16 -","4","1","","Jiangli Yan; Frank Delaglio; Andreas Kaerner; Allen D. Kline; Huaping Mo; Michael J. Shapiro; Tim A. Smitka; Gregory A. Stephenson; Edward R. Zartler","Complete Relative Stereochemistry of Multiple Stereocenters Using Only Residual Dipolar Couplings","Journal of the American Chemical Society","2004","126","","5008","5017","10.1021/ja037605q","","","0.71073","MoKα","","0.0913","0.0462","","","0.0641","0.0708","","","","","","0.818","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112454","8.577","0.002","9.026","0.002","16.026","0.004","94.218","0.005","96.824","0.004","96.319","0.005","1219.7","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Cl6 N6 O12 Rh2 S2 -","- C40 H44 Cl6 N6 O12 Rh2 S2 -","- C40 H44 Cl6 N6 O12 Rh2 S2 -","1","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0671","0.0456","","","0.1045","0.1215","","","","","","1","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112455","11.387","0.002","16.431","0.003","12.395","0.002","90","","101.224","0.003","90","","2274.7","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N6 O12 Rh2 S2 -","- C40 H54 N6 O12 Rh2 S2 -","- C80 H108 N12 O24 Rh4 S4 -","2","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.1471","0.0799","","","0.0967","0.1127","","","","","","0.954","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112456","8.142","0.002","11.575","0.003","9.2779","0.0017","90","","123.867","0.015","90","","726","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O10 Rh2 -","- C8 H12 N2 O10 Rh2 -","- C16 H24 N4 O20 Rh4 -","2","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0336","0.027","","","0.0528","0.0548","","","","","","1.134","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112457","8.156","0.003","13.112","0.005","9.576","0.004","90","","112.16","0.006","90","","948.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O10 Rh2 -","- C12 H20 N2 O10 Rh2 -","- C24 H40 N4 O20 Rh4 -","2","0.5","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0258","0.025","","","0.0651","0.0659","","","","","","1.142","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112458","8.44","0.003","10.463","0.003","14.299","0.004","105.432","0.014","106.84","0.02","96.004","0.018","1142.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N2 O10 Rh2 -","- C16 H28 N2 O10 Rh2 -","- C32 H56 N4 O20 Rh4 -","2","1","","Scott A. Hilderbrand; Mi Hee Lim; Stephen J. Lippard","Dirhodium Tetracarboxylate Scaffolds as Reversible Fluorescence-Based Nitric Oxide Sensors","Journal of the American Chemical Society","2004","126","","4972","4978","10.1021/ja038471j","","","0.71073","MoKα","","0.0516","0.0342","","","0.0718","0.0772","","","","","","0.988","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112459","10.8741","0.0011","11.9789","0.0012","13.343","0.0014","90","","90","","90","","1738.1","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[(bpb)Fe(NO)(NO2)]","","","- C18 H12 Fe N6 O5 -","- C18 H12 Fe N6 O5 -","- C72 H48 Fe4 N24 O20 -","4","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.0532","0.0351","","","0.0731","0.081","","","","","","1.007","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112460","7.1171","0.0008","12.5532","0.0013","8.9138","0.001","90","","94.076","0.004","90","","794.37","0.15","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","[(bpb)Fe(NO)]","","","- C18 H12 Fe N5 O3 -","- C18 H12 Fe N5 O3 -","- C36 H24 Fe2 N10 O6 -","2","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.0235","0.0224","","","0.0592","0.0598","","","","","","1.027","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112461","20.846","0.004","8.1866","0.0017","26.808","0.006","90","","92.208","0.004","90","","4571.6","1.6","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(bpb-NO2)(NO3)(DMF)]","","","- C21 H18 Fe N7 O8 -","- C21 H18 Fe N7 O8 -","- C168 H144 Fe8 N56 O64 -","8","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.1014","0.0585","","","0.1672","0.1889","","","","","","1.043","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112462","17.826","0.002","17.826","0.002","6.193","0.002","90","","90","","120","","1704.3","0.6","100","","100","","","","","","","","","4","P 32","P 32","145","","(R)-2-Chloro-3,3dimethyl-butan-1-ol","","- C6 H13 Cl O -","- C6 H13 Cl O -","- C54 H117 Cl9 O9 -","9","3","","Nis Halland; Alan Braunton; Stephan Bachmann; Mauro Marigo; Karl Anker Jørgensen","direct Organocatalytic Asymmetric α-Chlorination of Aldehydes","Journal of the American Chemical Society","2004","126","","4790","4791","10.1021/ja049231m","","","0.71073","MoKα","","","0.103","","","","0.128","","","","","","1.99","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112463","7.055","0.002","15.043","0.005","17.448","0.006","90","","90","","90","","1851.7","1","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 S -","- C19 H25 N O6 S -","- C76 H100 N4 O24 S4 -","4","1","","Masaki Kita; Mikiko Kondo; Tomoyuki Koyama; Kaoru Yamada; Tsuyosi Matsumoto; Kun-Hyung Lee; Je-Tae Woo; Daisuke Uemura","Symbioimine Exhibiting Inhibitory Effect of Osteoclast Differentiation, from the Symbiotic Marine Dinoflagellate Symbiodinium sp.","Journal of the American Chemical Society","2004","126","","4794","4795","10.1021/ja049277f","","","0.7107","MoKα","","","0.0607","","","","0.0829","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112464","7.995","0.005","9.113","0.006","30.058","0.019","90","","90","","90","","2190","2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Br O3 Si -","- C21 H33 Br O3 Si -","- C84 H132 Br4 O12 Si4 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0707","0.0605","","","0.1048","0.1076","","","","","","1.196","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112465","9.023","0.003","9.848","0.003","12.297","0.004","86.474","0.005","85.994","0.005","86.697","0.005","1086.4","0.6","213","2","213","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H22 Br O4 -","- C25 H22 Br O4 -","- C50 H44 Br2 O8 -","2","2","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0954","0.0515","","","0.1071","0.124","","","","","","1.036","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112466","6.6219","0.0011","10.9783","0.0018","14.434","0.002","90","","90","","90","","1049.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0324","0.0267","","","0.0542","0.0571","","","","","","1.023","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112467","8.6784","0.0011","12.7229","0.0019","33.26","0.005","90","","90","","90","","3672.4","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19.5 Br O4.25 -","- C18 H19.5 Br O4.25 -","- C144 H156 Br8 O34 -","8","2","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.1941","0.061","","","0.118","0.1356","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112468","6.8313","0.0016","14.053","0.004","17.472","0.004","90","","90","","90","","1677.3","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br O5 -","- C18 H17 Br O5 -","- C72 H68 Br4 O20 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0442","0.0323","","","0.0573","0.0587","","","","","","1.041","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112469","21.503","0.0001","25.489","0.0001","21.825","0.0001","90","","103.3","","90","","11641.2","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82.5 H206 B22 P6 Rh6 -","- C82.5 H206 B22 P6 Rh6 -","- C330 H824 B88 P24 Rh24 -","4","1","","Michael J. Ingleson; Mary F. Mahon; Paul R. Raithby; Andrew S. Weller","[(iPr3P)6Rh6H12]2+: A High-Hydride Content Octahedron that Bridges the Gap between Late and Early Transition Metal Clusters","Journal of the American Chemical Society","2004","126","","4784","4785","10.1021/ja049402n","","","0.71073","MoKα","","0.0832","0.048","","","0.1007","0.1163","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112470","13.337","0.0001","17.418","0.0002","17.832","0.0002","73.225","0.001","68.281","0.001","88.46","0.001","3669.7","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H167 B2 F48 P6 Rh6 -","- C124 H164 B2 F49 P6 Rh6 -","- C124 H164 B2 F49 P6 Rh6 -","1","0.5","","Michael J. Ingleson; Mary F. Mahon; Paul R. Raithby; Andrew S. Weller","[(iPr3P)6Rh6H12]2+: A High-Hydride Content Octahedron that Bridges the Gap between Late and Early Transition Metal Clusters","Journal of the American Chemical Society","2004","126","","4784","4785","10.1021/ja049402n","","","0.71073","MoKα","","0.0477","0.0351","","","0.0866","0.0948","","","","","","1.027","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112471","13.376","0.004","13.626","0.006","32.675","0.011","90","","90","","90","","5955","4","294","","294","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42.29 Cl N P2 Rh -","- C27 H42.295 Cl N P2 Rh -","- C216 H338.36 Cl8 N8 P16 Rh8 -","8","2","","Oleg V. Ozerov; Chengyun Guo; Vyacheslav A. Papkov; Bruce M. Foxman","Facile Oxidative Addition of N-C and N-H Bonds to Monovalent Rhodium and Iridium","Journal of the American Chemical Society","2004","126","","4792","4793","10.1021/ja049659l","","","0.71073","MoKα","","0.0955","0.0584","","0.1145","0.0609","0.0609","","","","","","1.1445","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112472","13.339","0.002","13.873","0.002","32.296","0.006","90","","90","","90","","5976.4","1.7","294","","294","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H86 Cl2 N2 P4 Rh2 -","- C54 H83 Cl2 N2 P4 Rh2 -","- C216 H332 Cl8 N8 P16 Rh8 -","4","1","","Oleg V. Ozerov; Chengyun Guo; Vyacheslav A. Papkov; Bruce M. Foxman","Facile Oxidative Addition of N-C and N-H Bonds to Monovalent Rhodium and Iridium","Journal of the American Chemical Society","2004","126","","4792","4793","10.1021/ja049659l","","","0.71073","MoKα","","0.2245","0.0888","","0.1332","0.0497","0.0497","","","","","","1.1685","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112473","7.247","0.002","14.983","0.005","22.489","0.007","90","","90.905","0.003","90","","2441.6","1.3","293.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Mn1.5 N12 O3 W -","- C16 H12 Mn1.5 N12 O3 W -","- C64 H48 Mn6 N48 O12 W4 -","4","1","","Toshinori Kashiwagi; Shin-ichi Ohkoshi; Hidetake Seino; Yasushi Mizobe; Kazuhito Hashimoto","Manganese(II) Octacyanotungstate(V)-Based Magnet Containing a Noncoordinated Aromatic Molecule","Journal of the American Chemical Society","2004","126","","5024","5025","10.1021/ja030648m","","","0.7107","MoKα","","","0.026","","","","0.073","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112474","43.91","0.007","43.91","0.007","19.208","0.007","90","","90","","120","","32073","14","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","[Dipp*Ge(PhC=CPh)GeDipp*].1.5n-hexane.0.17methylcyclopentane","","","- C84 H107.38 Ge2 -","- C83.9933 H84 Ge2 -","- C1511.88 H1512 Ge36 -","18","1","","Chunming Cui; Marilyn M. Olmstead; Philip P. Power","Reactivity of Ar'GeGeAr' (Ar' = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-iPr2) toward Alkynes: Isolation of a Stable Digermacyclobutadiene","Journal of the American Chemical Society","2004","126","","5062","5063","10.1021/ja0318481","","","1.54178","CuKα","","0.0767","0.0586","","","0.1565","0.1705","","","","","","1.044","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112475","33.299","0.008","13.209","0.003","38.495","0.013","90","","104.211","0.006","90","","16414","8","91","2","91","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C71.25 H97 Ge2 Si2 -","- C71.25 H97 Ge2 Si2 -","- C570 H776 Ge16 Si16 -","8","2","","Chunming Cui; Marilyn M. Olmstead; Philip P. Power","Reactivity of Ar'GeGeAr' (Ar' = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-iPr2) toward Alkynes: Isolation of a Stable Digermacyclobutadiene","Journal of the American Chemical Society","2004","126","","5062","5063","10.1021/ja0318481","","","0.71073","MoKα","","0.09","0.0713","","","0.2209","0.238","","","","","","1.061","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112476","10.6383","0.0011","10.934","0.0011","24.98","0.003","91.598","0.002","101.624","0.002","101.257","0.002","2784.5","0.5","183","2","193","2","","","","","","","","4","P -1","-P 1","2","(1-AdNC)2Mo(N[iPr]Ar)3","","","- C60 H90 Mo N5 -","- C60 H90 Mo N5 -","- C120 H180 Mo2 N10 -","2","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.1238","0.1077","","","0.2495","0.2566","","","","","","1.219","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112477","15.135","0.0014","13.5623","0.0012","19.6178","0.0018","90","","91.172","0.001","90","","4026","0.6","193","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(tBuNC)Mo(N[tBu]Ar)3","","","- C41 H63 Mo N4 -","- C41 H63 Mo N4 -","- C164 H252 Mo4 N16 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0754","0.0647","","","0.1563","0.1605","","","","","","1.143","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112478","15.2586","0.0006","16.2472","0.0006","22.7817","0.0009","90","","102.892","0.001","90","","5505.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H60 O14 P2 Pd2 Ru6 -","- C45 H60 O14 P2 Pd2 Ru6 -","- C180 H240 O56 P8 Pd8 Ru24 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0752","0.0462","","","0.0937","0.1044","","","","","","1.002","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112479","18.187","0.0005","19.6886","0.0006","31.119","0.0009","90","","95.031","0.001","90","","11100.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 O17 P2 Pt2 Ru6 -","- C42 H54 O17 P2 Pt2 Ru6 -","- C336 H432 O136 P16 Pt16 Ru48 -","8","2","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0773","0.0435","","","0.0669","0.076","","","","","","0.964","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112480","12.2489","0.0005","19.8587","0.0008","16.457","0.0006","90","","90","","90","","4003.1","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H27 O17 P Pt Ru6 -","- C30 H27 O17 P Pt Ru6 -","- C120 H108 O68 P4 Pt4 Ru24 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0417","0.0351","","","0.059","0.0614","","","","","","1.035","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112481","15.1983","0.0011","19.7491","0.0015","35.841","0.003","90","","90","","90","","10757.8","1.4","190","2","190","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 O17 P2 Pd2 Ru6 -","- C42 H54 O17 P2 Pd2 Ru6 -","- C336 H432 O136 P16 Pd16 Ru48 -","8","2","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0329","0.0296","","","0.0559","0.0567","","","","","","0.951","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112482","8.9793","0.0009","13.7655","0.0014","17.1762","0.0018","77.464","0.002","88.967","0.002","81.998","0.002","2052.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 O14 P Pd Ru6 -","- C33 H33 O14 P Pd Ru6 -","- C66 H66 O28 P2 Pd2 Ru12 -","2","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0732","0.0496","","","0.1061","0.1215","","","","","","1.06","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112483","17.972","0.0008","8.4","0.0003","28.315","0.0012","90","","113.307","0.0016","90","","3925.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound (1)","","","- C28 H39 Cl3 Cu N8 O17 -","- C28 H39 Cl3 Cu N8 O17 -","- C112 H156 Cl12 Cu4 N32 O68 -","4","1","","Enrique García-España; Pablo Gaviña; Julio Latorre; Conxa Soriano; Begoña Verdejo","CO2 Fixation by Copper(II) Complexes of a Terpyridinophane Aza Receptor","Journal of the American Chemical Society","2004","126","","5082","5083","10.1021/ja039577h","","","1.54184","CuKα","","0.1309","0.0776","","","0.1904","0.2152","","","","","","1.332","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112484","15.782","0.0007","13.297","0.0006","21.129","0.0012","90","","94.314","0.0016","90","","4421.4","0.4","150","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Compound (2)","","","- C28 H49 Cl4 Cu2 N8 O23.5 -","- C28 H37 Cl4 Cu2 N8 O23.5 -","- C112 H148 Cl16 Cu8 N32 O94 -","4","2","","Enrique García-España; Pablo Gaviña; Julio Latorre; Conxa Soriano; Begoña Verdejo","CO2 Fixation by Copper(II) Complexes of a Terpyridinophane Aza Receptor","Journal of the American Chemical Society","2004","126","","5082","5083","10.1021/ja039577h","","","0.71073","MoKα","","0.1259","0.0749","","","0.1775","0.2152","","","","","","1.191","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112485","3.6647","0.0007","24.225","0.005","7.606","0.0015","90","","95.45","0.03","90","","672.2","0.2","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 K N O3 -","- C6 H4 K N O3 -","- C24 H16 K4 N4 O12 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKa","","0.0301","0.0252","","0.0693","0.0648","","","","1.097","1.102","1.102","","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112486","12.13","0.002","20.632","0.004","25.974","0.005","102.96","0.03","94.34","0.03","94.77","0.03","6283","2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H96 Er4 K4 N16 O52 -","- C112 H96 Er4 K4 N16 O52 -","- C224 H192 Er8 K8 N32 O104 -","2","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKα","","0.0708","0.0447","","","0.1077","0.1152","","","","","","0.904","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112487","19.322","0.003","19.322","0.003","33.829","0.007","90","","90","","90","","12630","4","203","2","203","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C176 H178 N24 O98 Tm14 -","- C176 H112 N24 O95.6 Tm14 -","- C352 H224 N48 O191.2 Tm28 -","2","0.125","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKa","","0.0672","0.0521","","0.1894","0.1472","","","","1.068","1.074","1.074","","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112488","18.943","0.004","7.762","0.0016","22.637","0.005","90","","99.98","0.03","90","","3278.1","1.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 K2 N5 O15 Tb -","- C30 H20 K2 N5 O15 Tb -","- C120 H80 K8 N20 O60 Tb4 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKα","","0.1007","0.0592","","","0.1352","0.1473","","","","","","0.873","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112489","14.693","0.003","18.214","0.008","15.094","0.006","90","","118.97","0.03","90","","3534","2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H25 K2 N5 O15 Sm -","- C32.5 H25 K2 N5 O15 Sm -","- C130 H100 K8 N20 O60 Sm4 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.56087","AgKα","","0.0788","0.0529","","","0.1324","0.1471","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112490","14.722","0.004","18.265","0.011","15.108","0.006","90","0.6","119.1","0.03","90","0.6","3550","3","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H25 Eu K2 N5 O15 -","- C32.5 H25 Eu K2 N5 O15 -","- C130 H100 Eu4 K8 N20 O60 -","4","1","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.56087","AgKα","","0.1133","0.0583","","","0.1167","0.1364","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112491","17.8808","0.0005","8.6468","0.0003","32.425","0.001","90","","89.324","0.001","90","","5012.9","0.3","150.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 Fe O2 P Si -","- C26 H35 Fe O2 P Si -","- C208 H280 Fe8 O16 P8 Si8 -","8","1","","Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino","Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds","Journal of the American Chemical Society","2004","126","","5060","5061","10.1021/ja039704+","","","0.7107","MoKα","","","0.0421","","","","0.1327","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112492","9.48","0.001","11.1441","0.0009","25.933","0.003","90","","96.806","0.003","90","","2720.4","0.5","150.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 Fe O2 P Si -","- C28 H37 Fe O2 P Si -","- C112 H148 Fe4 O8 P4 Si4 -","4","1","","Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino","Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds","Journal of the American Chemical Society","2004","126","","5060","5061","10.1021/ja039704+","","","0.7107","MoKα","","","0.0401","","","","0.1174","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112493","10.934","0.006","15.733","0.005","17.676","0.006","90","","91.16","0.04","90","","3040","2","423.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Fe N2 O P Si -","- C32 H41 Fe N2 O P Si -","- C128 H164 Fe4 N8 O4 P4 Si4 -","4","1","","Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino","Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds","Journal of the American Chemical Society","2004","126","","5060","5061","10.1021/ja039704+","","","0.7107","MoKα","","","0.0581","","","","0.0635","","","","","","1.671","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112494","20.029","0.005","21.508","0.005","21.244","0.005","90","","100.491","0.006","90","","8999","4","173.5","0.1","173.5","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Cl2 N12 O4 Pt -","- C56 H68 Cl2 N12 O4 Pt -","- C336 H408 Cl12 N72 O24 Pt6 -","6","1.5","","Chantelle R. Bondy; Philip A. Gale; Stephen J. Loeb","Metal-Organic Anion Receptors: Arranging Urea Hydrogen-Bond Donors to Encapsulate Sulfate Ions","Journal of the American Chemical Society","2004","126","","5030","5031","10.1021/ja039712q","","","0.71073","MoKα","","0.1214","0.0655","","","0.1551","0.1784","","","","","","0.97","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112495","20.7","0.003","11.4505","0.0016","27.823","0.004","90","","96.944","0.003","90","","6546.4","1.6","173.5","0.1","173.5","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H82 N14 O11 Pt S -","- C62 H82 N14 O11 Pt S -","- C248 H328 N56 O44 Pt4 S4 -","4","1","","Chantelle R. Bondy; Philip A. Gale; Stephen J. Loeb","Metal-Organic Anion Receptors: Arranging Urea Hydrogen-Bond Donors to Encapsulate Sulfate Ions","Journal of the American Chemical Society","2004","126","","5030","5031","10.1021/ja039712q","","","0.71073","MoKα","","0.079","0.075","","","0.1629","0.1646","","","","","","1.197","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4112496","24.229","0.0012","12.077","0.0005","24.573","0.0011","90","","104.763","0.003","90","","6953","0.6","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Tetrakis(tetrahydrofuran)lithium(I) 1,1,3,3-tetrakis- [di-tert-butyl(methyl)silyl]-1,3-disila-2-gallataallene","","- C58 H122 Ga Li O4 Si6 -","- C58 H122 Ga Li O4 Si6 -","- C232 H488 Ga4 Li4 O16 Si24 -","4","1","","Norio Nakata; Rika Izumi; Vladimir Ya. Lee; Masaaki Ichinohe; Akira Sekiguchi","1,3-Disila-2-gallata- and -indata allenic Anions [>SiMSi<]-.Li+ (M = Ga, In): Compounds Featuring Double Bonds between Elements of Groups 13 and 14","Journal of the American Chemical Society","2004","126","","5058","5059","10.1021/ja040001h","","","0.7107","MoKα","","0.1044","0.0564","","","0.1332","0.1516","","","","","","0.926","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112497","8.7934","0.0004","21.9625","0.0009","12.7233","0.0006","90","","97.497","0.001","90","","2436.18","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Mn Mo O8 S2 -","- C20 H19 Mn Mo O8 S2 -","- C80 H76 Mn4 Mo4 O32 S8 -","4","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of 1,4-Quinone and 1,4-Hydroquinone","Journal of the American Chemical Society","2004","126","","5056","5057","10.1021/ja049170s","","","0.71073","MoKα","","0.0314","0.0267","","","0.0637","0.0664","","","","","","1.025","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112498","8.287","0.003","20.037","0.008","10.151","0.004","90","","95.856","0.006","90","","1676.7","1.1","153.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 N2 O10 -","- C34 H48 N2 O10 -","- C68 H96 N4 O20 -","2","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0373","","","","0.0479","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112499","8.337","0.003","19.963","0.007","15.75","0.006","90","","102.408","0.007","90","","2560.1","1.6","173.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N2 O10 -","- C64 H60 N2 O10 -","- C128 H120 N4 O20 -","2","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.051","","","","0.0602","","","","","","1.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112500","13.343","0.002","13.7657","0.0007","18.3825","0.0006","90","","111.508","0.0007","90","","3141.3","0.5","110.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H72 N2 O14 -","- C76 H72 N2 O14 -","- C152 H144 N4 O28 -","2","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0538","","","","0.0728","","","","","","1.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112501","11.4515","0.0009","12.187","0.001","12.55","0.001","85.201","0.003","79.058","0.002","69.252","0.001","1607.8","0.2","173.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H72 N2 O14 -","- C76 H70 N2 O14 -","- C76 H70 N2 O14 -","1","0.5","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0553","","","","0.0772","","","","","","2.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112502","8.889","0.001","17.022","0.001","19.613","0.003","80.493","0.003","84.133","0.001","77.093","0.001","2846.3","0.6","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H66 N2 O11 -","- C67 H66 N2 O11 -","- C134 H132 N4 O22 -","2","1","","Hidetoshi Kawai; Ryo Katoono; Kouki Nishimura; Shunsuke Matsuda; Kenshu Fujiwara; Takashi Tsuji; Takanori Suzuki","Positive Homotropic Allosteric Binding of Benzenediols in a Hydrindacene-Based Exoditopic Receptor: Cooperativity in Amide Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","5034","5035","10.1021/ja049336p","","","0.7107","MoKα","","","0.0486","","","","0.0602","","","","","","1.607","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112503","9.4003","0.0006","11.846","0.0008","12.6971","0.0008","65.253","0.001","77.404","0.001","73.078","0.001","1220.9","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 Cl N4 Rh -","- C22 H40 Cl N4 Rh -","- C44 H80 Cl2 N8 Rh2 -","2","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0453","0.0366","","","0.091","0.0947","","","","","","1.044","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112504","9.0969","0.0004","10.1843","0.0005","14.2497","0.0007","93.026","0.001","98.282","0.001","110.959","0.001","1212.17","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H38 Cl N4 Rh -","- C22 H38 Cl N4 Rh -","- C44 H76 Cl2 N8 Rh2 -","2","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0218","0.0201","","","0.0459","0.0466","","","","","","1.057","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112505","15.5823","0.0008","21.0284","0.001","10.3295","0.0005","90","","128.636","0.001","90","","2643.9","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H38 F6 N4 P Rh -","- C22 H38 F6 N4 P Rh -","- C88 H152 F24 N16 P4 Rh4 -","4","1","","Reto Dorta; Edwin D. Stevens; Steven P. Nolan","Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex","Journal of the American Chemical Society","2004","126","","5054","5055","10.1021/ja049545+","","","0.71073","MoKα","","0.0268","0.0231","","","0.0533","0.0547","","","","","","1.025","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112506","36.836","0.005","7.619","0.001","5.886","0.0008","90","","92.92","0.01","90","","1649.8","0.4","298.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Se2 -","- C22 H14 Se2 -","- C88 H56 Se8 -","4","1","","Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Naoto Niihara; Tetsuo Otsubo","2,6-Diphenylbenzo[1,2-b:4,5-b']dichalcogenophenes: A New Class of High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2004","126","","5084","5085","10.1021/ja0496930","","","0.7107","MoKα","","","0.0708","","","","0.2445","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112507","20.8588","0.0003","20.8678","0.0004","19.0273","0.0003","90","","108.489","0.001","90","","7854.7","0.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 N4 Pd -","- C42 H48 Cl2 N4 Pd -","- C336 H384 Cl16 N32 Pd8 -","8","1","","Hélène Lebel; Marc K. Janes; André B. Charette; Steven P. Nolan","Structure and Reactivity of ""Unusual"" N-Heterocyclic Carbene (NHC) Palladium Complexes Synthesized from Imidazolium Salts","Journal of the American Chemical Society","2004","126","","5046","5047","10.1021/ja049759r","","","1.54178","CuKα","","0.0754","0.0415","","","0.0762","0.0819","","","","","","0.992","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112508","50.4","0.003","10.9732","0.0006","32.3863","0.0018","90","","127.41","0.002","90","","14227","1.4","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C42 H48 Cl2 N4 Pd -","- C42 H48 Cl2 N4 Pd -","- C504 H576 Cl24 N48 Pd12 -","12","3","","Hélène Lebel; Marc K. Janes; André B. Charette; Steven P. Nolan","Structure and Reactivity of ""Unusual"" N-Heterocyclic Carbene (NHC) Palladium Complexes Synthesized from Imidazolium Salts","Journal of the American Chemical Society","2004","126","","5046","5047","10.1021/ja049759r","","","1.54178","CuKα","","0.105","0.0565","","","0.1051","0.1151","","","","","","0.814","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112509","14.517","0.0002","14.562","0.0002","16.604","0.0003","68.92","0.0007","82.401","0.0007","87.837","0.0009","3246.19","0.09","230","0.2","230","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H69 B3 O12 S Th -","- C72 H57 B3 O12 S Th -","- C144 H114 B6 O24 S2 Th2 -","2","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0568","0.0329","","","0.0646","0.075","","","","","","0.904","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112510","17.383","0.0003","16.774","0.0004","18.284","0.0004","90","","107.866","0.0007","90","","5074.2","0.19","230","0.2","230","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 B3 O12 S U -","- C54 H51 B3 O12 S U -","- C216 H204 B12 O48 S4 U4 -","4","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0925","0.0369","","","0.084","0.1077","","","","","","0.896","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112511","9.77","0.0002","21.172","0.0003","24.294","0.0004","90","","97.149","0.0007","90","","4986.16","0.15","230","0.1","230","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55 B3 O14 Th -","- C54 H54.2 B3 O14 Th -","- C216 H216.8 B12 O56 Th4 -","4","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0747","0.0362","","","0.0705","0.0744","","","","","","0.859","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112512","17.192","0.0005","16.451","0.0005","18.7","0.0006","90","","111.166","0.0013","90","","4932","0.3","230","0.2","230","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 B3 Li O13 Th -","- C52 H46 B3 Li O13 Th -","- C208 H184 B12 Li4 O52 Th4 -","4","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen","Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles","Journal of the American Chemical Society","2004","126","","5066","5067","10.1021/ja0498843","","","0.71073","MoKα","","0.0846","0.0436","","","0.1044","0.115","","","","","","0.892","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112513","18.617","0.006","9.935","0.003","19.129","0.007","90","","90.781","0.007","90","","3538","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C Br3 Cl F31 O8 S Sb Te6 -","- C Br3 Cl F31 O8 S Sb Te6 -","- C4 Br12 Cl4 F124 O32 S4 Sb4 Te24 -","4","1","","Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo","The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)","Journal of the American Chemical Society","2004","126","","5533","5548","10.1021/ja030649e","","","0.71073","MoKα","","0.1229","0.0621","","","0.1051","0.1211","","","","","","1.035","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112514","10.082","0.004","10.95","0.004","24.572","0.01","83.482","0.008","81.679","0.007","70.019","0.007","2516.6","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C Cl3 F48 O15 S3 Sb Te9 -","- C Cl3 F48 O15 S3 Sb Te9 -","- C2 Cl6 F96 O30 S6 Sb2 Te18 -","2","1","","Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo","The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)","Journal of the American Chemical Society","2004","126","","5533","5548","10.1021/ja030649e","","","0.71073","MoKα","","0.1653","0.0668","","","0.1081","0.1259","","","","","","0.878","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112515","8.7059","0.0019","9.181","0.002","9.862","0.002","104.111","0.005","103.507","0.005","98.851","0.005","724.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C Cl3 F30 O6 Sb Te6 -","- C Cl3 F30 O6 Sb Te6 -","- C Cl3 F30 O6 Sb Te6 -","1","0.5","","Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo","The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)","Journal of the American Chemical Society","2004","126","","5533","5548","10.1021/ja030649e","","","0.71073","MoKα","","0.0628","0.0355","","","0.0687","0.0736","","","","","","0.982","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112516","19.969","0.004","18.076","0.004","21.147","0.004","90","","105.17","0.03","90","","7367","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 F12 N O P Pd -","- C35 H40 F12 N O P Pd -","- C280 H320 F96 N8 O8 P8 Pd8 -","8","2","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.1292","0.0546","","","0.1127","0.1356","","","","","","1.002","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112517","10.251","0.002","19.822","0.004","20.2","0.004","90","","94.75","0.03","90","","4090.4","1.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 F12 Fe N O P Pd -","- C41 H40 F12 Fe N O P Pd -","- C164 H160 F48 Fe4 N4 O4 P4 Pd4 -","4","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.0883","0.0434","","","0.0962","0.1094","","","","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112518","14.979","0.003","17.638","0.004","24.486","0.005","90","","103.7","0.03","90","","6285","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H60 F12 Fe N O P Pd -","- C71 H60 F12 Fe N O P Pd -","- C284 H240 F48 Fe4 N4 O4 P4 Pd4 -","4","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.1332","0.0536","","","0.1004","0.1213","","","","","","1.004","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112519","12.301","0.003","12.824","0.003","14.038","0.003","63.3","0.03","67.09","0.03","71.43","0.03","1794.3","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 F12 N P Pd S -","- C31 H35 F12 N P Pd S1.4 -","- C62 H70 F24 N2 P2 Pd2 S2.8 -","2","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.071","0.0454","","","0.1009","0.1094","","","","","","1.082","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112520","13.525","0.003","15.326","0.003","15.58","0.003","73.57","0.03","71.97","0.03","81.58","0.03","2939.4","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C67.5 H53 F12 Fe N O P2 Pd -","- C67.5 H49 F12 Fe N O P2 Pd -","- C135 H98 F24 Fe2 N2 O2 P4 Pd2 -","2","1","","Makoto Yamashita; John F. Hartwig","Synthesis, Structure, and Reductive Elimination Chemistry of Three-Coordinate Arylpalladium Amido Complexes","Journal of the American Chemical Society","2004","126","","5344","5345","10.1021/ja0315107","","","0.71073","MoKα","","0.0781","0.0485","","","0.1253","0.1388","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112521","11.8025","0.0012","11.8154","0.0012","11.996","0.0012","73.134","0.002","63.641","0.002","85.474","0.002","1432","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 O Si -","- C38 H36 O Si -","- C76 H72 O2 Si2 -","2","1","","Irina S. Toulokhonova; Ilia A. Guzei; Robert West","Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone","Journal of the American Chemical Society","2004","126","","5336","5337","10.1021/ja0318176","","","0.71073","MoKα","","0.0462","0.0434","","","0.1174","0.1201","","","","","","1.052","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112522","17.9305","0.001","10.7556","0.0006","20.4058","0.0011","90","","109.201","0.001","90","","3716.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 O2 Si -","- C48 H50 O2 Si -","- C192 H200 O8 Si4 -","4","1","","Irina S. Toulokhonova; Ilia A. Guzei; Robert West","Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone","Journal of the American Chemical Society","2004","126","","5336","5337","10.1021/ja0318176","","","0.71073","MoKα","","0.0666","0.0515","","","0.1337","0.1424","","","","","","1.082","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112523","14.2755","0.0017","15.4092","0.0018","19.496","0.002","97.471","0.002","104.111","0.002","115.452","0.002","3618","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 O Si -","- C48 H48 O Si -","- C192 H192 O4 Si4 -","4","2","","Irina S. Toulokhonova; Ilia A. Guzei; Robert West","Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone","Journal of the American Chemical Society","2004","126","","5336","5337","10.1021/ja0318176","","","0.71073","MoKα","","0.1539","0.0849","","","0.2005","0.2221","","","","","","1.019","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112524","9.4421","0.0012","18.289","0.002","55.173","0.007","90","","90","","90","","9528","2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl4 P2 Pt Sn -","- C29 H30 Cl4 P2 Pt Sn -","- C348 H360 Cl48 P24 Pt12 Sn12 -","12","3","","Charles P. Casey; Susie C. Martins; Maureen A. Fagan","Reversal of Enantioselectivity in the Hydroformylation of Styrene with [2S,4S-BDPP]Pt(SnCl3)Cl at High Temperature Arises from a Change in the Enantioselective-Determining Step","Journal of the American Chemical Society","2004","126","","5585","5592","10.1021/ja0318479","","","0.71073","MoKα","","0.2092","0.0856","","","0.1649","0.204","","","","","","0.981","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112525","8.705","0.002","5.185","0.003","15.168","0.003","90","","101.69","0.02","90","","670.4","0.4","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 Cl2 N O -","- C13 H15 Cl2 N O -","- C26 H30 Cl4 N2 O2 -","2","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","0.7107","MoKα","","","0.0333","","","","0.0488","","","","","","1.409","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112526","8.043","0.0008","8.818","0.001","12.961","0.002","97.664","0.007","107.021","0.008","109.557","0.003","800.49","0.18","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 Cl2 O -","- C18 H18 Cl2 O -","- C36 H36 Cl4 O2 -","2","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","1.5418","CuKα","","","0.048","","","","0.095","","","","","","0.88","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112527","25.251","0.003","6.856","0.001","10.484","0.001","90","","112.78","0.01","90","","1673.4","0.4","298.2","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H13 Br2 Cl -","- C18 H13 Br2 Cl -","- C72 H52 Br8 Cl4 -","4","1","","Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe","Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes","Journal of the American Chemical Society","2004","126","","5358","5359","10.1021/ja0319442","","","1.5418","CuKα","","","0.0475","","","","0.0693","","","","","","1.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112528","7.6096","0.0006","8.7046","0.0007","21.8164","0.0018","90","","90","","90","","1445.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Aaron Wrobleski; Kiran Sahasrabudhe; Jeffrey Aubé","Asymmetric Total Synthesis of Dendrobatid Alkaloids: Preparation of Indolizidine 251F and Its 3-Desmethyl Analogue Using an Intramolecular Schmidt Reaction Strategy","Journal of the American Chemical Society","2004","126","","5475","5481","10.1021/ja0320018","","","0.71073","MoKα","","0.0466","0.0419","","","0.1015","0.1047","","","","","","1.047","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112529","19.8444","0.0007","8.5365","0.0003","12.0682","0.0004","90","","113.731","0.001","90","","1871.51","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 F2 N4 O2 Si -","- C18 H22 F2 N4 O2 Si -","- C72 H88 F8 N16 O8 Si4 -","4","0.5","","Nikolaus Kocher; Julian Henn; Boris Gostevskii; Daniel Kost; Inna Kalikhman; Bernd Engels; Dietmar Stalke","Si-E (E = N, O, F) Bonding in a Hexacoordinated Silicon Complex: New Facts from Experimental and Theoretical Charge Density Studies","Journal of the American Chemical Society","2004","126","","5563","5568","10.1021/ja038459r","","","0.71073","MoKα","","0.042","0.0365","","","0.102","0.1052","","","","","","1.011","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112530","10.533","0.001","12.728","0.001","14.913","0.001","89.465","0.006","89.799","0.006","96.143","0.006","1987.7","0.3","100","0.5","100","0.5","","","","","","","see text","5","P -1","-P 1","2","","","","- C47 H46 Cl2 P2 Ru -","- C47 H46 Cl2 P2 Ru -","- C94 H92 Cl4 P4 Ru2 -","2","1","","Walter Baratta; Carlo Mealli; Eberhardt Herdtweck; Andrea Ienco; Sax A. Mason; Pierluigi Rigo","Nonclassical vs Classical Metal...H3C-C Interactions: Accurate Characterization of a 14-Electron Ruthenium(II) System by Neutron Diffraction, Database Analysis, Solution Dynamics, and DFT Studies","Journal of the American Chemical Society","2004","126","","5549","5562","10.1021/ja038986a","","neutron","1.5364","neutron","","0.0727","0.0641","","","0.1261","0.1305","","","","","","1.123","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112531","11.883","0.002","21.427","0.004","28.346","0.006","90","","90","","90","","7217","2","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C89 H66 Ag Cl1.75 F0 O4 P4 S -","- C88.96 H65.73 Ag Cl1.895 O4 P4 S -","- C355.84 H262.92 Ag4 Cl7.58 O16 P16 S4 -","4","1","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.048","0.0462","","","0.1092","0.1102","","","","","","1.152","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112532","11.122","0.002","16.334","0.003","24.032","0.005","90","","90","","90","","4365.8","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 Ag2 F6 O6 P2 S2 -","- C46 H32 Ag2 F6 O6 P2 S2 -","- C184 H128 Ag8 F24 O24 P8 S8 -","4","1","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.0348","0.0317","","","0.0752","0.0761","","","","","","1.031","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112533","24.902","0.015","10.638","0.006","17.118","0.01","90","","118.091","0.009","90","","4001","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H56 O2 P4 Pd -","- C40 H56 O2 P4 Pd -","- C160 H224 O8 P16 Pd4 -","4","0.5","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.0328","0.0305","","","0.0939","0.0973","","","","","","0.838","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112534","11.087","0.002","14.17","0.003","15.859","0.003","90.503","0.003","109.192","0.003","106.287","0.003","2244.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 O2 P4 Pd -","- C46 H64 O2 P4 Pd -","- C92 H128 O4 P8 Pd2 -","2","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.0421","0.0376","","","0.0949","0.0978","","","","","","1.076","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112535","20.379","0.0008","16.9052","0.0007","21.5603","0.0008","90","","111.672","0.001","90","","6902.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H58 B2 F8 O P4 Pd -","- C24 H58 B2 F8 O P4 Pd -","- C192 H464 B16 F64 O8 P32 Pd8 -","8","2","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.1166","0.0522","","","0.0908","0.1098","","","","","","1.023","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112536","12.423","0.01","22.881","0.017","16.794","0.013","90","","100.713","0.015","90","","4691","6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 B2 F8 O3 P4 Pd -","- C42 H58 B2 F8 O3 P4 Pd -","- C168 H232 B8 F32 O12 P16 Pd4 -","4","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.1041","0.0674","","","0.17","0.1914","","","","","","1.021","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112537","14.0903","0.0019","18.715","0.003","23.13","0.003","106.886","0.002","106.065","0.003","90.951","0.003","5577.2","1.4","164","2","164","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H150 B4 F16 N4 O5 P8 Pd2 -","- C104 H150 B4 F16 N4 O5 P8 Pd2 -","- C208 H300 B8 F32 N8 O10 P16 Pd4 -","2","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.1141","0.0775","","","0.2142","0.2393","","","","","","1.088","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112538","10.035","0.005","10.316","0.005","18.247","0.009","80.89","0.009","79.214","0.009","66.363","0.008","1692.6","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H56 P4 Pd -","- C32 H56 P4 Pd -","- C64 H112 P8 Pd2 -","2","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.045","0.0377","","","0.0913","0.095","","","","","","1.037","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112539","19.58","0.02","11.555","0.013","16.865","0.019","90","","99.802","0.019","90","","3760","7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 B F4 P2 Pd0.5 -","- C16 H28 B F4 P2 Pd0.5 -","- C128 H224 B8 F32 P16 Pd4 -","8","1","","James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois","Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes","Journal of the American Chemical Society","2004","126","","5502","5514","10.1021/ja0395240","","","0.71073","MoKα","","0.0448","0.0422","","","0.1062","0.1083","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112540","10.2163","0.001","10.2163","0.001","5.9707","0.0006","90","","90","","120","","539.69","0.09","190","2","190","2","","","","","","","","2","P 63/m","-P 6c","176","","","","- C6 N16 -","- C6 N16 -","- C12 N32 -","2","0.166667","","Dale R. Miller; Dale C. Swenson; Edward G. Gillan","Synthesis and Structure of 2,5,8-Triazido-s-Heptazine: An Energetic and Luminescent Precursor to Nitrogen-Rich Carbon Nitrides","Journal of the American Chemical Society","2004","126","","5372","5373","10.1021/ja048939y","","","0.71073","MoKα","","0.0368","0.035","","","0.1052","0.1078","","","","","","1.191","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112541","6.8315","0.0015","7.4154","0.0016","30.72","0.007","90","","93.928","0.005","90","","1552.6","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para-tolualdehyde N-tert-butyldimethylsilylhydrozone","","","- C14 H24 N2 Si -","- C14 H24 N2 Si -","- C56 H96 N8 Si4 -","4","1","","Michael E. Furrow; Andrew G. Myers","Practical Procedures for the Preparation of N-tert-Butyldimethylsilylhydrazones and Their Use in Modified Wolff-Kishner Reductions and in the Synthesis of Vinyl Halides and gem-Dihalides","Journal of the American Chemical Society","2004","126","","5436","5445","10.1021/ja049694s","","","0.71073","MoKα","","0.1493","0.0766","","","0.1284","0.1475","","","","","","0.99","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112542","48.2928","0.0011","48.2928","0.0011","11.8656","0.0011","90","","90","","120","","23965","2","298","2","298","2","","","","","","","chemical synthesis","3","R 3 m :H","R 3 -2""","160","","Hexakis(2',3',4',5',6'-pentaphenylbiphenyl-4-yl)benzene","","- C272 H202 Cl28 -","- C264 H174 -","- C792 H522 -","3","0.166667","","Xianfeng Shen; Douglas M. Ho; Robert A. Pascal","Synthesis of Polyphenylene Dendrimers Related to ""Cubic Graphite""","Journal of the American Chemical Society","2004","126","","5798","5805","10.1021/ja030675c","","","0.71073","MoKα","","0.1545","0.1321","","0.3751","0.3431","","","","1.033","1.204","1.204","","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112543","12.941","0.0002","6.228","0.0001","14.697","0.0002","90","","105.806","0.001","90","","1139.74","0.03","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F N O -","- C13 H16 F N O -","- C52 H64 F4 N4 O4 -","4","1","","Eric M. Tippmann; Matthew S. Platz; Irina B. Svir; Oleksiy V. Klymenko","Evidence for Specific Solvation of Two Halocarbene Amides","Journal of the American Chemical Society","2004","126","","5750","5762","10.1021/ja039693k","","","0.71073","MoKα","","0.0644","0.0424","","0.1195","0.1068","","","","1.028","1.078","1.078","","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112544","8.6822","0.0007","12.6421","0.0011","14.2624","0.0013","90","","91.29","0.002","90","","1565.1","0.2","243","2","243","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl3 N3 O2 Si -","- C31 H32 Cl3 N3 O2 Si -","- C62 H64 Cl6 N6 O4 Si2 -","2","1","","Richard Berger; Keiko Duff; James L. Leighton","Enantioselective Allylation of Ketone-Derived Benzoylhydrazones: Practical Synthesis of Tertiary Carbinamines","Journal of the American Chemical Society","2004","126","","5686","5687","10.1021/ja0486418","","","0.71073","MoKα","","0.049","0.0383","","","0.0909","0.0957","","","","","","1.062","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112545","15.734","0.002","24.833","0.003","21.45","0.003","90","","102.226","0.008","90","","8190.9","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H64 B2 F40 N2 P2 Ti2 -","- C82 H64 B2 F40 N2 P2 Ti2 -","- C328 H256 B8 F160 N8 P8 Ti8 -","4","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.0719","0.0403","","","0.0986","0.1162","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112546","12.517","0.002","14.815","0.002","14.984","0.003","96.751","0.006","111.708","0.007","94.706","0.007","2539.8","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H51 B F20 N O P Ti -","- C50 H51 B F20 N O P Ti -","- C100 H102 B2 F40 N2 O2 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.0736","0.0445","","","0.105","0.1176","","","","","","1.035","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112547","10.597","0.003","16.036","0.004","15.346","0.005","90","","92.82","0.011","90","","2604.6","1.3","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C50 H50 B Br F20 N O P Ti -","- C50 H50 B Br F20 N O P Ti -","- C100 H100 B2 Br2 F40 N2 O2 P2 Ti2 -","2","1","","Kuangbiao Ma; Warren E. Piers; Yuan Gao; Masood Parvez","Isolation and Characterization of a Monomeric Cationic Titanium Hydride","Journal of the American Chemical Society","2004","126","","5668","5669","10.1021/ja048952i","","","0.71073","MoKα","","0.052","0.0381","","","0.0926","0.0989","","","","","","1.084","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112548","25.6135","0.0007","25.6135","0.0007","25.6135","0.0007","90","","90","","90","","16803.8","0.8","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","IRMOF-18","","","- C36 H36 O13 Zn4 -","- C36 H36 O13 Zn4 -","- C288 H288 O104 Zn32 -","8","0.0416667","","Jesse L. C. Rowsell; Andrew R. Millward; Kyo Sung Park; Omar M. Yaghi","Hydrogen Sorption in Functionalized Metal-Organic Frameworks","Journal of the American Chemical Society","2004","126","","5666","5667","10.1021/ja049408c","","","0.71073","MoKα","","0.0923","0.073","","","0.2108","0.2255","","","","","","1.078","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112549","6.593","0.002","7.093","0.002","18.765","0.005","90","","91.36","0.02","90","","877.3","0.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C32 H52 Cl2 N2 O8 -","2","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0593","0.0467","","","0.1135","0.1224","","","","","","0.935","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112550","10.019","0.003","12.966","0.004","23.814","0.009","90","","90","","90","","3093.6","1.8","223","2","223","2","","","","","","","synthesized by the authors, see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N2 O8 -","- C32 H42 N2 O8 -","- C128 H168 N8 O32 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0696","0.0498","","0.1235","","0.1138","","","0.904","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112551","6.335","0.003","9.404","0.002","34.399","0.009","90","","90","","90","","2049.3","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl N O4 -","- C18 H30 Cl N O4 -","- C72 H120 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0769","0.0438","","","0.0986","0.1102","","","","","","0.725","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112552","7.527","0.003","12.89","0.006","18.219","0.007","90","","90","","90","","1767.7","1.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C64 H104 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0399","0.0358","","","0.0935","0.0957","","","","","","1.015","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112553","6.54","0.003","13.811","0.005","19.763","0.007","90","","90","","90","","1785.1","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C64 H104 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0519","0.035","","","0.0777","0.0832","","","","","","0.802","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112554","27.983","0.007","27.983","0.007","27.983","0.007","90","","90","","90","","21912","9","293","2","123","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C60 H54 N6 Ni3 O18 -","- C60 H54 N6 Ni3 O18 -","- C480 H432 N48 Ni24 O144 -","8","0.166667","","Darren Bradshaw; Timothy J. Prior; Edmund J. Cussen; John B. Claridge; Matthew J. Rosseinsky","Permanent Microporosity and Enantioselective Sorption in a Chiral Open Framework","Journal of the American Chemical Society","2004","126","","6106","6114","10.1021/ja0316420","","","0.6931","synchrotron","","0.1729","0.1123","","","0.2889","0.3266","","","","","","1.071","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112555","28.3174","0.0004","28.3174","0.0004","28.3174","0.0004","90","","90","","90","","22707","0.6","150","2","150","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C63 H72 N6 Ni3 O18 -","- C63 H72 N6 Ni3 O18 -","- C504 H576 N48 Ni24 O144 -","8","0.166667","","Darren Bradshaw; Timothy J. Prior; Edmund J. Cussen; John B. Claridge; Matthew J. Rosseinsky","Permanent Microporosity and Enantioselective Sorption in a Chiral Open Framework","Journal of the American Chemical Society","2004","126","","6106","6114","10.1021/ja0316420","","","0.6975","Synchrotron","","0.0453","0.0435","","","0.1212","0.1227","","","","","","1.173","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112556","28.135","0.0004","28.135","0.0004","28.135","0.0004","90","","90","","90","","22271.1","0.5","150","2","150","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C63 H72 N6 Ni3 O18 -","- C63 H72 N6 Ni3 O18 -","- C504 H576 N48 Ni24 O144 -","8","0.166667","","Darren Bradshaw; Timothy J. Prior; Edmund J. Cussen; John B. Claridge; Matthew J. Rosseinsky","Permanent Microporosity and Enantioselective Sorption in a Chiral Open Framework","Journal of the American Chemical Society","2004","126","","6106","6114","10.1021/ja0316420","","","0.6875","Synchrotron","","0.0762","0.0706","","","0.2246","0.2366","","","","","","1.257","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112557","10.8103","0.0004","13.651","0.0005","20.8737","0.001","94.111","0.002","91.262","0.002","113.14","0.002","2821","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 P2 S4 -","- C32 H28 P2 S4 -","- C128 H112 P8 S16 -","4","2","","Claire Fave; Muriel Hissler; Tamás Kárpáti; Joëlle Rault-Berthelot; Valérie Deborde; Loic Toupet; László Nyulászi; Régis Réau","Connecting π-Chromophores by σ-P-P Bonds: New Type of Assemblies Exhibiting σ-π-Conjugation","Journal of the American Chemical Society","2004","126","","6058","6063","10.1021/ja0317067","","","0.71069","MoKα","","0.1284","0.071","","","0.1848","0.2272","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112558","5.582","0.003","8.991","0.006","13.574","0.008","90","","96.75","0.02","90","","676.5","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Zhangjie Shi; Chuan He","An Au-Catalyzed Cyclialkylation of Electron-Rich Arenes with Epoxides To Prepare 3-Chromanols","Journal of the American Chemical Society","2004","126","","5964","5965","10.1021/ja031953a","","","0.71073","MoKα","","0.0689","0.0553","","","0.1067","0.1122","","","","","","1.087","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112559","8.4395","0.0004","16.8558","0.0007","18.3565","0.0008","90","","93.12","0.001","90","","2607.4","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H44 B F4 P2 Rh -","- C22 H44 B F4 P2 Rh -","- C88 H176 B4 F16 P8 Rh4 -","4","2","","Garrett Hoge; He-Ping Wu; William S. Kissel; Derek A. Pflum; Derek J. Greene; Jian Bao","Highly Selective Asymmetric Hydrogenation Using a Three Hindered Quadrant Bisphosphine Rhodium Catalyst","Journal of the American Chemical Society","2004","126","","5966","5967","10.1021/ja048496y","","","0.71073","MoKα","","0.067","0.055","","","0.1125","0.1181","","","","","","1.02","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112560","9.4271","0.0012","9.8702","0.0012","18.813","0.002","90","","90","","90","","1750.5","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Qi-Ying Hu; Pankaj D. Rege; E. J. Corey","Simple, Catalytic Enantioselective Syntheses of Estrone and Desogestrel","Journal of the American Chemical Society","2004","126","","5984","5986","10.1021/ja048808x","","","0.71073","MoKα","","0.0477","0.0372","","","0.0766","0.0798","","","","","","1.011","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112561","9.4733","0.0004","11.9166","0.0005","17.5861","0.0008","90","","90","","90","","1985.29","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 F7 Ir P -","- C17 H27 F7 Ir P -","- C68 H108 F28 Ir4 P4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.052","0.0507","","","0.1175","0.1184","","","","","","1.124","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112562","8.521","0.0007","15.2085","0.0012","14.6563","0.0012","90","","95.585","0.002","90","","1890.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F9 I Ir O -","- C15 H15 F9 I Ir O -","- C60 H60 F36 I4 Ir4 O4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.0523","0.045","","","0.1214","0.128","","","","","","1.004","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112563","9.4637","0.0007","15.4169","0.0007","14.9804","0.0009","90","","90.16","0.002","90","","2185.6","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H24 F9 I Ir P -","- C17 H24 F9 I Ir P -","- C68 H96 F36 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.0368","0.0364","","","0.0957","0.0961","","","","","","1.068","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112564","13.423","0.011","13.495","0.012","13.817","0.012","91.83","0.03","104.6","0.02","111.29","0.03","2235","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H30 Li3 N3 O6 -","- C16.75 H30 Li3 N3 O6 -","- C67 H120 Li12 N12 O24 -","4","2","","Anne J. McNeil; Gilman E. S. Toombes; Sithamalli V. Chandramouli; Benoit J. Vanasse; Timothy A. Ayers; Michael K. O'Brien; Emil Lobkovsky; Sol M. Gruner; John A. Marohn; David B. Collum","Characterization of β-Amino Ester Enolates as Hexamers via 6Li NMR Spectroscopy","Journal of the American Chemical Society","2004","126","","5938","5939","10.1021/ja049245s","","","0.71073","MoKα","","0.1275","0.0665","","","0.1502","0.1793","","","","","","0.949","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112565","18.1831","0.0006","10.3071","0.0004","18.4641","0.0006","90","","113.812","0.001","90","","3165.88","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 N2 O Zr -","- C35 H48 N2 O Zr -","- C140 H192 N8 O4 Zr4 -","4","1","","Denis A. Kissounko; Lawrence R. Sita","Nucleophilic Character of a Charge Neutral, High Oxidation State d0 Zirconium Trimethylenemethane Complex","Journal of the American Chemical Society","2004","126","","5946","5947","10.1021/ja0493897","","","0.71073","MoKα","","0.0361","0.027","","","0.0724","0.0789","","","","","","1.089","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112566","19.3351","0.0008","18.448","0.0008","16.6791","0.0007","90","","112.772","0.001","90","","5485.6","0.4","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 F3 N2 O3 S Zr -","- C24 H41 F3 N2 O3 S Zr -","- C192 H328 F24 N16 O24 S8 Zr8 -","8","2","","Denis A. Kissounko; Lawrence R. Sita","Nucleophilic Character of a Charge Neutral, High Oxidation State d0 Zirconium Trimethylenemethane Complex","Journal of the American Chemical Society","2004","126","","5946","5947","10.1021/ja0493897","","","0.71073","MoKα","","0.0758","0.0357","","","0.0813","0.0966","","","","","","1.059","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112567","11.38","0.003","12.167","0.003","19.528","0.005","90","","104.412","0.005","90","","2618.8","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O2 -","- C14 H16 Br N O2 -","- C112 H128 Br8 N8 O16 -","8","4","","Yuhei Yamamoto; Norie Momiyama; Hisashi Yamamoto","Enantioselective Tandem O-Nitroso Aldol/Michael Reaction","Journal of the American Chemical Society","2004","126","","5962","5963","10.1021/ja049741g","","","0.71073","MoKα","","0.0711","0.0572","","","0.0988","0.1034","","","","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112568","13.11","0.003","12.268","0.003","19.15","0.004","90","","100.39","0.03","90","","3029.5","1.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 O2 -","- C38 H49 O2 -","- C152 H196 O8 -","4","1","","May Xiao-Wu Jiang; Manish Rawat; William D. Wulff","Contingency and Serendipity in the Reactions of Fischer Carbene Complexes with Conjugated Triynes","Journal of the American Chemical Society","2004","126","","5970","5971","10.1021/ja049836i","","","0.71073","MoKα","","0.1957","0.0784","","","0.1828","0.2259","","","","","","1.045","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112569","6.0219","0.0012","9.4637","0.0019","11.002","0.002","86.06","0.03","80.54","0.03","86.94","0.03","616.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H13 O2 -","- C17 H13 O2 -","- C34 H26 O4 -","2","1","","May Xiao-Wu Jiang; Manish Rawat; William D. Wulff","Contingency and Serendipity in the Reactions of Fischer Carbene Complexes with Conjugated Triynes","Journal of the American Chemical Society","2004","126","","5970","5971","10.1021/ja049836i","","","0.71073","MoKα","","0.0576","0.049","","","0.1396","0.1441","","","","","","0.944","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112570","18.295","0.002","18.925","0.002","27.004","0.004","78.94","0.004","89.892","0.003","82.579","0.003","9096.6","1.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H217 Fe6 N9 Ni2 P4 S26 -","- C155 H208 Fe6 N8.5 Ni2 P4 S26 -","- C310 H416 Fe12 N17 Ni4 P8 S52 -","2","1","","Rashmishree Panda; Yugen Zhang; Craig C. McLauchlan; P. Venkateswara Rao; F. A. Tiago de Oliveira; E. Münck; R. H. Holm","Initial Structure Modification of Tetrahedral to Planar Nickel(II) in a Nickel-Iron-Sulfur Cluster Related to the C-Cluster of Carbon Monoxide Dehydrogenase","Journal of the American Chemical Society","2004","126","","6448","6459","10.1021/ja030627s","","","0.71073","MoKα","","0.1085","0.0471","","","0.0839","0.096","","","","","","0.796","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112571","18.219","0.004","18.485","0.004","27.031","0.005","70.974","0.004","83.543","0.005","79.737","0.005","8454","3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C147 H203.5 Fe6 N4.5 Ni2 P4 S26 -","- C146.25 H202.75 Fe6 N4.5 Ni2 P4 S26 -","- C292.5 H405.5 Fe12 N9 Ni4 P8 S52 -","2","1","","Rashmishree Panda; Yugen Zhang; Craig C. McLauchlan; P. Venkateswara Rao; F. A. Tiago de Oliveira; E. Münck; R. H. Holm","Initial Structure Modification of Tetrahedral to Planar Nickel(II) in a Nickel-Iron-Sulfur Cluster Related to the C-Cluster of Carbon Monoxide Dehydrogenase","Journal of the American Chemical Society","2004","126","","6448","6459","10.1021/ja030627s","","","0.71073","MoKα","","0.1533","0.0637","","","0.1272","0.1651","","","","","","0.965","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112572","9.6554","0.0009","10.6473","0.001","10.7277","0.0012","98.262","0.008","90.685","0.008","115.702","0.007","980","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Fe(OEPO)(1-Me Imidazole)2","","","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","1","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","1.54178","CuKα","","0.0728","0.0578","","","0.145","0.1655","","","","","","1.102","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112573","9.5027","0.0006","10.4786","0.0007","10.5971","0.0008","98.151","0.006","90.643","0.006","115.179","0.005","942.28","0.12","129","2","129","2","","","","","","","","5","P -1","-P 1","2","Fe(OEPO)(1-Me Imidazole)2","","","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","1","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","1.54178","CuKα","","0.057","0.0521","","","0.1306","0.135","","","","","","1.071","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112574","9.4992","0.0014","10.4689","0.0015","10.5854","0.0016","98.14","0.003","90.682","0.003","115.099","0.003","940.6","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Fe(OEPO)(1-Methyl Imidazole)2","","","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","- C44 H53 Fe N8 O -","1","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","0.71073","MoKα","","0.0421","0.0349","","","0.0849","0.0872","","","","","","1.077","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112575","20.079","0.002","21.373","0.002","10.5266","0.0011","90","","90","","90","","4517.5","0.8","90","2","90","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Fe(OEPO)(2,6-dimethyl phenylisocyanide)2","","","- C54 H59 Fe N6 O -","- C54 H59 Fe N6 O -","- C216 H236 Fe4 N24 O4 -","4","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation","Journal of the American Chemical Society","2004","126","","6379","6386","10.1021/ja0316014","","","0.71073","MoKα","","0.0472","0.0359","","","0.0883","0.0922","","","","","","1.073","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112576","12.5307","0.0003","12.6669","0.0003","13.3386","0.0003","73.288","0.001","77.648","0.001","75.687","0.001","1941.4","0.08","121","2","121","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H73 N P3 Re Si2 -","- C33 H73 N P3 Re Si2 -","- C66 H146 N2 P6 Re2 Si4 -","2","1","","Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton","Transformation of Acyclic Alkenes to Hydrido Carbynes by (PNPR)Re Complexes","Journal of the American Chemical Society","2004","126","","6363","6378","10.1021/ja031617u","","","0.71073","MoKα","","0.0407","0.0311","","","0.0588","0.0618","","","","","","1.019","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112577","18.02","0.004","22.933","0.005","9.7801","0.0014","90","","108.509","0.011","90","","3832.6","1.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H40 Cl2 N4 O2 -","- C43 H40 Cl2 N4 O2 -","- C172 H160 Cl8 N16 O8 -","4","0.5","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.0681","0.0542","","","0.1468","0.1625","","","","","","1.038","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112578","11.323","0.003","21.521","0.009","26.931","0.01","90","","91.53","0.03","90","","6560","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C212 H316 F24 N20 O40 P8 Pt4 S8 -","- C212 H310 F24 N20 O40 P8 Pt4 S8 -","- C212 H310 F24 N20 O40 P8 Pt4 S8 -","1","0.25","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.1208","0.0877","","","0.2265","0.2453","","","","","","1.098","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112579","14.0905","0.0015","18.562","0.002","20.621","0.002","81.74","0.002","79.988","0.002","85.836","0.002","5249.9","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H63 F3 N4 O6 P2 Pt S -","- C55 H63 F3 N4 O6 P2 Pt S -","- C110 H126 F6 N8 O12 P4 Pt2 S2 -","2","1","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.1682","0.1064","","","0.2788","0.3373","","","","","","1.005","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112580","13.163","0.002","22.472","0.004","24.798","0.004","94.923","0.003","101.5","0.002","93.843","0.003","7135","2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C104.5 H122 F10.5 N9.5 O19 P4 Pt2 S3.5 -","- C104.5 H122 F10.5 N9.5 O19 P4 Pt2 S3.5 -","- C209 H244 F21 N19 O38 P8 Pt4 S7 -","2","1","","Shih-Sheng Sun; Charlotte L. Stern; SonBinh T. Nguyen; Joseph T. Hupp","Directed Assembly of Transition-Metal-Coordinated Molecular Loops and Squares from Salen-Type Components. Examples of Metalation-Controlled Structural Conversion","Journal of the American Chemical Society","2004","126","","6314","6326","10.1021/ja037378s","","","0.71073","MoKα","","0.1305","0.0739","","","0.1803","0.1993","","","","","","0.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112581","7.192","0.004","9.719","0.005","10.504","0.006","74.203","0.018","87.53","0.03","75.58","0.02","684","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","difluoro[2-(phenylazo)phenyl]-2-propenylsilane","","","- C15 H14 F2 N2 Si -","- C15 H14 F2 N2 Si -","- C30 H28 F4 N4 Si2 -","2","1","","Naokazu Kano; Masaki Yamamura; Takayuki Kawashima","Reactivity Control of an Allylsilane Bearing a 2-(Phenylazo)phenyl Group by Photoswitching of the Coordination Number of Silicon","Journal of the American Chemical Society","2004","126","","6250","6251","10.1021/ja037404m","","","0.7107","MoKα","","0.0462","0.0382","","","0.0878","0.0921","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112582","9.522","0.005","11.167","0.005","20.225","0.01","86.45","0.03","76.75","0.03","67.67","0.02","1935.6","1.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","potassium tetrafluoro{2-[2-phenyl-1-(2-propenyl)-hydrazino]phenyl}silicate, 18-crown-6","","","- C29 H41 Cl6 F4 K N2 O6 Si -","- C29 H41 Cl6 F4 K N2 O6 Si -","- C58 H82 Cl12 F8 K2 N4 O12 Si2 -","2","1","","Naokazu Kano; Masaki Yamamura; Takayuki Kawashima","Reactivity Control of an Allylsilane Bearing a 2-(Phenylazo)phenyl Group by Photoswitching of the Coordination Number of Silicon","Journal of the American Chemical Society","2004","126","","6250","6251","10.1021/ja037404m","","","0.7107","MoKα","","0.042","0.0378","","","0.0859","0.0883","","","","","","1.077","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112583","19.02","0.01","25.03","0.02","24.65","0.02","90","","97.86","0.02","90","","11625","15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","final110K","","","- C108 H122 Co3 Fe2 N24 O13 -","- C108 H96 Co3 Fe2 N24 O13 -","- C432 H384 Co12 Fe8 N96 O52 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Sieber, Andreas; José Ramón Galán-Mascarós; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in the Discrete Cyanide-Bridged Complex {[Co(tmphen)2]3[Fe(CN)6]2}","Journal of the American Chemical Society","2004","126","","6222","6223","10.1021/ja039451k","","","0.71073","MoKα","","0.1219","0.076","","","0.2058","0.2358","","","","","","1.035","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112584","19.261","0.004","25.123","0.005","24.782","0.005","90","","97.74","0.03","90","","11883","4","210","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","final220K","","","- C108 H114 Co3 Fe2 N24 O9 -","- C108 H96 Co3 Fe2 N24 O8.99 -","- C432 H384 Co12 Fe8 N96 O35.96 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Sieber, Andreas; José Ramón Galán-Mascarós; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in the Discrete Cyanide-Bridged Complex {[Co(tmphen)2]3[Fe(CN)6]2}","Journal of the American Chemical Society","2004","126","","6222","6223","10.1021/ja039451k","","","0.71073","MoKα","","0.1076","0.0765","","","0.2234","0.2545","","","","","","1.034","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112585","14.066","0.003","15.48","0.003","16.147","0.003","90","","92.652","0.004","90","","3512.1","1.2","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 La N3 -","- C36 H54 La N3 -","- C144 H216 La4 N12 -","4","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0644","0.0452","","","0.0758","0.0792","","","","","","1.223","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112586","13.137","0.004","16.922","0.004","13.442","0.003","90","","119.253","0.003","90","","2607.1","1.2","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H86 La N3 O4 -","- C48 H78 La N3 O3 -","- C96 H156 La2 N6 O6 -","2","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0554","0.048","","","0.0956","0.0973","","","","","","1.274","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112587","16.013","0.006","14.159","0.005","21.202","0.006","90","","112.122","0.011","90","","4453","3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H64 La N5 -","- C46 H64 La N5 -","- C184 H256 La4 N20 -","4","2","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait","A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2","Journal of the American Chemical Society","2004","126","","6387","6401","10.1021/ja0398262","","","0.71073","MoKα","","0.0298","0.0279","","","0.0719","0.0727","","","","","","1.164","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112588","51.9205","0.0008","4.4025","0.0001","14.5118","0.0003","90","","101.48","0.001","90","","3250.75","0.11","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Cs Bi4 Te6","","","- Bi4 Cs Te6 -","- Bi4 Cs Te6 -","- Bi32 Cs8 Te48 -","8","1","","Duck-Young Chung; Tim P. Hogan; Melissa Rocci-Lane; Paul Brazis; John R. Ireland; Carl R. Kannewurf; Marina Bastea; Ctirad Uher; Mercouri G. Kanatzidis","A New Thermoelectric Material: CsBi4Te6","Journal of the American Chemical Society","2004","126","","6414","6428","10.1021/ja039885f","","","0.71069","MoKα","","0.0585","0.0434","","0.1127","0.1017","","","","1.05","1.096","1.096","","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112589","8.4206","0.0014","11.8965","0.0019","20.622","0.003","90","","90","","90","","2065.8","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","1","","Leleti Rajender Reddy; P. Saravanan; E. J. Corey","A Simple Stereocontrolled Synthesis of Salinosporamide A","Journal of the American Chemical Society","2004","126","","6230","6231","10.1021/ja048613p","","","0.71073","MoKα","","0.1193","0.0411","","","0.0441","0.0544","","","","","","0.774","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112590","26.3682","0.0017","14.3569","0.0009","32.485","0.002","90","","90","","90","","12297.7","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","{[PhBPiPr3]Fe}2(?-N2)","","","- C54 H97 B2 Fe2 N2 P6 -","- C54 H97 B2 Fe2 N2 P6 -","- C432 H776 B16 Fe16 N16 P48 -","8","2","","Theodore A. Betley; Jonas C. Peters","A Tetrahedrally Coordinated L3Fe-Nx Platform that Accommodates Terminal Nitride (FeIV\τbN) and Dinitrogen (FeI-N2-FeI) Ligands","Journal of the American Chemical Society","2004","126","","6252","6254","10.1021/ja048713v","","","0.71073","MoKα","","0.0758","0.0504","","","0.0973","0.1019","","","","","","1.645","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112591","11.024","0.0009","13.4574","0.0011","13.7499","0.0011","87.377","0.002","75.603","0.001","83.956","0.002","1964.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[PhBPiPr3]FeNPh2","","","- C39 H63 B Fe N P3 -","- C39 H63 B Fe N P3 -","- C78 H126 B2 Fe2 N2 P6 -","2","1","","Theodore A. Betley; Jonas C. Peters","A Tetrahedrally Coordinated L3Fe-Nx Platform that Accommodates Terminal Nitride (FeIV\τbN) and Dinitrogen (FeI-N2-FeI) Ligands","Journal of the American Chemical Society","2004","126","","6252","6254","10.1021/ja048713v","","","0.71073","MoKα","","0.0841","0.0448","","","0.0797","0.0906","","","","","","1.273","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112592","10.201","0.002","14.015","0.003","14.074","0.003","86.764","0.004","76.115","0.004","69.759","0.004","1831.9","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Fe(OEB)Cl.CHCl3","","","- C36 H44 Cl4 Fe N4 O2 -","- C36 H44 Cl4 Fe N4 O2 -","- C72 H88 Cl8 Fe2 N8 O4 -","2","1","","Khoi T. Nguyen; Sankar Prasad Rath; Lechosław Latos-Grażyński; Marilyn M. Olmstead; Alan L. Balch","Formation of a Highly Oxidized Iron Biliverdin Complex upon Treatment of a Five-Coordinate Verdoheme with Dioxygen","Journal of the American Chemical Society","2004","126","","6210","6211","10.1021/ja049222d","","","0.71073","MoKα","","0.0691","0.0447","","","0.1142","0.1256","","","","","","1.02","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112593","5.0446","0.0008","9.8623","0.0016","31.428","0.005","90","","90","","90","","1563.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","K. C. Nicolaou; Scott A. Snyder; Annie Z. Nalbandian; Deborah A. Longbottom","A New Method for the Stereoselective Synthesis of α- and β-Glycosylamines Using the Burgess Reagent","Journal of the American Chemical Society","2004","126","","6234","6235","10.1021/ja049293c","","","0.71073","MoKα","","0.101","0.0529","","","0.1169","0.1377","","","","","","1.023","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112594","8.4206","0.0009","10.0277","0.0011","12.883","0.0014","98.302","0.002","92.386","0.002","110.468","0.002","1003.48","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 N O6 S -","- C7 H11 N O6 S -","- C28 H44 N4 O24 S4 -","4","2","","K. C. Nicolaou; Scott A. Snyder; Annie Z. Nalbandian; Deborah A. Longbottom","A New Method for the Stereoselective Synthesis of α- and β-Glycosylamines Using the Burgess Reagent","Journal of the American Chemical Society","2004","126","","6234","6235","10.1021/ja049293c","","","0.71073","MoKα","","0.066","0.0527","","","0.1336","0.1437","","","","","","1.078","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112595","9.3171","0.0002","11.5016","0.0003","20.4556","0.0007","80.867","0.005","80.186","0.005","77.429","0.005","2091.27","0.11","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H31 N7 O7 -","- C55 H30 N7 O7 -","- C110 H60 N14 O14 -","2","1","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.148","0.071","","0.246","","0.083","","","1.395","","","1.123","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112596","26.825","","11.593","","9.322","","90","","93.6","","90","","2893.26","","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N6 -","- C40 H24 N6 -","- C160 H96 N24 -","4","0.5","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","MoKα","","0.1305","0.0551","","","0.1391","0.1739","","","","","","0.839","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112597","11.161","","13.733","","14.107","","67.5","","74.02","","71.86","","1868.09","","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H27 F3 N6 O3 S -","- C43 H27 F3 N6 O4 S -","- C86 H54 F6 N12 O8 S2 -","2","1","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","MoKα","","0.2789","0.1739","","","0.3292","0.3604","","","","","","1.697","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112598","13.31","0.003","13.49","0.003","16.66","0.003","81.15","0.03","74.62","0.03","80.74","0.03","2827.1","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl3 F6 N4 O4 -","- C29.5 H22.5 Cl2.995 F3 N3 O2.5 -","- C118 H90 Cl11.98 F12 N12 O10 -","4","2","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","MoKα","","0.1371","0.1171","","","0.3123","0.3282","","","","","","1.08","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112599","13.2654","0.0002","18.726","0.0003","19.6692","0.0004","90","","90","","90","","4885.98","0.15","173","","173","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C51 H35 F6 N7 O8 S2 Zn -","- C51 H35 F6 N7 O8 S2 Zn -","- C204 H140 F24 N28 O32 S8 Zn4 -","4","0.5","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.095","0.033","","0.516","","0.056","","","1.251","","","1.046","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112600","13.0955","0.0002","13.1668","0.0002","15.9645","0.0003","75.685","0.005","84.946","0.005","64.653","0.005","2409.96","0.13","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H35 F6 N7 O7 S2 Zn -","- C55 H35 F6 N7 O7 S2 Zn -","- C110 H70 F12 N14 O14 S4 Zn2 -","2","1","","Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn","Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers","Journal of the American Chemical Society","2004","126","","6637","6647","10.1021/ja031915r","","","0.71073","Mo-Kα","","0.104","0.037","","0.167","","0.039","","","1.356","","","1.015","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112601","36.15","0.09","10.09","0.05","20.68","0.06","90","","98.94","0.04","90","","7451","5","113","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H78 N4 O4 Pd -","- C92 H72 N4 O4 Pd -","- C368 H288 N16 O16 Pd4 -","4","0.5","","Tetsuo Iwasawa; Makoto Tokunaga; Yasushi Obora; Yasushi Tsuji","Homogeneous Palladium Catalyst Suppressing Pd Black Formation in Air Oxidation of Alcohols","Journal of the American Chemical Society","2004","126","","6554","6555","10.1021/ja031936l","","","0.7107","MoKα","","","0.067","","","","0.093","","","","","","1.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112602","25.2946","0.0013","38.864","0.0011","50.4327","0.0019","90","","93.234","0.002","90","","49499","3","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C378 H475 F24 N8 O76.5 P8 Pt4 S8 -","- C353 H304 F24 N8 O64 P8 Pt4 S8 -","- C1412 H1216 F96 N32 O256 P32 Pt16 S32 -","4","1","","Roberta Pinalli; Veronica Cristini; Valerio Sottili; Silvano Geremia; Mara Campagnolo; Andrea Caneschi; Enrico Dalcanale","Cavitand-Based Nanoscale Coordination Cages","Journal of the American Chemical Society","2004","126","","6516","6517","10.1021/ja038694+","","","1.2","synchrotron","","0.1319","0.11","","","0.2752","0.2971","","","","","","1.159","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112603","10.495","0.0005","15.2421","0.0007","14.1054","0.0006","90","","94.715","0.001","90","","2248.75","0.18","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 B N7 O2 P W -","- C19 H27 B N7 O2 P W -","- C76 H108 B4 N28 O8 P4 W4 -","4","1","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0358","0.0269","","","0.0573","0.0594","","","","","","0.956","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112604","12.275","0.001","12.9206","0.001","14.7993","0.0012","90","","109.285","0.002","90","","2215.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 B N8 O2 Re -","- C21 H24 B N8 O2 Re -","- C84 H96 B4 N32 O8 Re4 -","4","1","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0379","0.0279","","","0.0589","0.061","","","","","","0.955","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112605","35.3637","0.0012","35.3637","0.0012","9.8575","0.0005","90","","90","","120","","10676.1","0.7","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H44 B2 N16 O2 Re2 -","- C34 H44 B2 N16 O2 Re2 -","- C306 H396 B18 N144 O18 Re18 -","9","0.5","","Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman","Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments","Journal of the American Chemical Society","2004","126","","6806","6815","10.1021/ja039824h","","","0.71073","MoKα","","0.0352","0.0285","","","0.077","0.0791","","","","","","0.97","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112606","53.796","0.003","15.2193","0.0007","29.8943","0.0013","90","","109.909","0.001","90","","23012.8","1.9","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","1.(PF6)2.3C6H6","","","- C126 H87 Au F12 N6 P8 Pd Tl -","- C126 H87 Au F12 N6 P8 Pd Tl -","- C1008 H696 Au8 F96 N48 P64 Pd8 Tl8 -","8","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0554","0.0493","","","0.1409","0.1436","","","","","","1.415","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112607","17.1939","0.0005","30.6021","0.0008","20.6077","0.0006","90","","90.02","0.001","90","","10843.1","0.5","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","1.(PF6)2.2CHCl3.2CH2Cl2","","","- C112 H84 Au Cl10 F12 N6 P8 Pd Tl -","- C112 H84 Au Cl10 F12 N6 P8 Pd Tl -","- C448 H336 Au4 Cl40 F48 N24 P32 Pd4 Tl4 -","4","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.1605","0.1572","","","0.3925","0.393","","","","","","5.671","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112608","17.5229","0.0013","29.432","0.002","19.2201","0.0014","90","","92.479","0.001","90","","9903.2","1.2","123","2","123","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","1.(BF4)2.2.5CH2Cl2","","","- C110.5 H84 Au B2 Cl5 F8 N6 P6 Pd Tl -","- C110.5 H84 Au B2 Cl5 F8 N6 P6 Pd Tl -","- C442 H336 Au4 B8 Cl20 F32 N24 P24 Pd4 Tl4 -","4","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0887","0.0555","","","0.1421","0.1583","","","","","","1.179","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112609","27.3585","0.0014","26.8697","0.0015","29.4776","0.0016","90","","90","","90","","21669","2","123","2","123","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","1.Cl2.4.5CH2Cl2","","","- C112.5 H87 Au Cl11 N6 O0 P6 Pd Tl -","- C112.5 H87 Au Cl11 N6 P6 Pd Tl -","- C900 H696 Au8 Cl88 N48 P48 Pd8 Tl8 -","8","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0858","0.0593","","","0.167","0.1827","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112610","19.1672","0.001","30.7091","0.0017","19.2514","0.0011","90","","95.584","0.002","90","","11277.7","1.1","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","2.(PF6)2.3CHCl3.6H2O","","","- C111 H93 Au Cl9 F12 N6 O6 P8 Pt Tl -","- C111 H93 Au Cl9 F12 N6 O6 P8 Pt Tl -","- C444 H372 Au4 Cl36 F48 N24 O24 P32 Pt4 Tl4 -","4","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.072","0.0686","","","0.1606","0.1624","","","","","","1.21","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112611","19.187","0.002","19.87","0.002","11.6382","0.0014","90","","93.822","0.004","90","","4427.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H82 Fe N9 O3 S -","- C37 H82 Fe N9 O3 S -","- C148 H328 Fe4 N36 O12 S4 -","4","1","","Peter L. Larsen; Rajeev Gupta; Douglas R. Powell; Andrew S. Borovik","Chalcogens as Terminal Ligands to Iron: Synthesis and Structure of Complexes with FeIII-S and FeIII-Se Motifs","Journal of the American Chemical Society","2004","126","","6522","6523","10.1021/ja049118w","","","0.71073","MoKα","","0.1018","0.0767","","","0.2219","0.2503","","","","","","1.025","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112612","19.11","0.002","19.85","0.002","11.8266","0.0016","90","","94.027","0.004","90","","4475.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H82 Fe N9 O3 Se -","- C37 H82 Fe N9 O3 Se -","- C148 H328 Fe4 N36 O12 Se4 -","4","1","","Peter L. Larsen; Rajeev Gupta; Douglas R. Powell; Andrew S. Borovik","Chalcogens as Terminal Ligands to Iron: Synthesis and Structure of Complexes with FeIII-S and FeIII-Se Motifs","Journal of the American Chemical Society","2004","126","","6522","6523","10.1021/ja049118w","","","0.71073","MoKα","","0.1108","0.083","","","0.237","0.2594","","","","","","1.022","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112613","8.724","0.0003","8.724","0.0003","33.476","0.002","90","","90","","120","","2206.46","0.17","173.2","","","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C16 H42 Cl2 Co N4 O14 -","- C16 H42 Cl2 Co N4 O14 -","- C48 H126 Cl6 Co3 N12 O42 -","3","0.5","","Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube","Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex","Journal of the American Chemical Society","2004","126","","6524","6525","10.1021/ja049130o","","","0.7107","MoKα","","","0.0451","","","","0.1399","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112614","7.7333","0.0005","11.6472","0.0008","32.483","0.002","90","","90","","90","","2925.8","0.3","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 Co N7 O8 -","- C20 H41 Co N7 O8 -","- C80 H164 Co4 N28 O32 -","4","1","","Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube","Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex","Journal of the American Chemical Society","2004","126","","6524","6525","10.1021/ja049130o","","","0.7107","MoKα","","","0.0495","","","","0.1027","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112615","23.9746","0.0016","11.6981","0.0007","25.186","0.002","90","","107.243","0.004","90","","6746.1","0.8","91","2","91","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Dipp*Ge(NSiMe3)]2.n-hexane","","","- C72 H106 Ge2 N2 Si2 -","- C72 H92 Ge2 N2 Si2 -","- C288 H368 Ge8 N8 Si8 -","4","0.5","","Chunming Cui; Marcin Brynda; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Non-Kekulé, Singlet Biradicaloid Ar'Ge(μ-NSiMe3)2GeAr' (Ar' = 2,6-Dipp2C6H3, Dipp = 2,6-i-Pr2C6H3)","Journal of the American Chemical Society","2004","126","","6510","6511","10.1021/ja0492182","","","0.71073","MoKα","","0.0619","0.0385","","","0.092","0.1056","","","","","","1.062","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112616","11.98","0.003","13.445","0.004","14.468","0.005","87.5","0.01","87.78","0.01","65.182","0.009","2112.6","1.1","123.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C108 H76 F8 N8 -","- C108 H76 F8 N8 -","- C108 H76 F8 N8 -","1","0.5","","Azusa Kikuchi; Fumiyasu Iwahori; Jiro Abe","Definitive Evidence for the Contribution of Biradical Character in a Closed-Shell Molecule, Derivative of 1,4-Bis-(4,5-diphenylimidazol-2-ylidene)cyclohexa-2,5-diene","Journal of the American Chemical Society","2004","126","","6526","6527","10.1021/ja049423h","","","0.7107","MoKα","","","0.062","","","","0.0806","","","","","","1.404","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112617","16.249","0.002","16.659","0.002","16.959","0.002","90.301","0.002","108.949","0.002","107.42","0.002","4116","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","00173","","","- C84 H88 Br4 O4 -","- C84 H88 Br4 O4 -","- C168 H176 Br8 O8 -","2","1","","Suchada Rajca; Andrzej Rajca; Jirawat Wongsriratanakul; Paul Butler; Sung-min Choi","Organic Spin Clusters. A Dendritic-Macrocyclic Poly(arylmethyl) Polyradical with Very High Spin of S= 10 and Its Derivatives: Synthesis, Magnetic Studies, and Small-Angle Neutron Scattering","Journal of the American Chemical Society","2004","126","","6972","6986","10.1021/ja031548j","","","0.71073","MoKα","","0.0863","0.0415","","","0.0847","0.0959","","","","","","0.968","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4112618","11.2997","0.0005","21.8937","0.0009","20.9096","0.0009","90","","101.316","0.001","90","","5072.3","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H14 La S5 -","- C94.5 H14 La S5 -","- C378 H56 La4 S20 -","4","1","","Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto","Isolation and Characterization of a Carbene Derivative of La@C82","Journal of the American Chemical Society","2004","126","","6858","6859","10.1021/ja0316115","","","0.71073","MoKα","","0.1083","0.0903","","","0.23","0.2439","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112619","11.3213","0.0005","21.9299","0.0009","20.9749","0.0009","90","","101.184","0.001","90","","5108.6","0.4","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H14 La S5 -","- C94.5 H14 La S5 -","- C378 H56 La4 S20 -","4","1","","Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto","Isolation and Characterization of a Carbene Derivative of La@C82","Journal of the American Chemical Society","2004","126","","6858","6859","10.1021/ja0316115","","","0.71073","MoKα","","0.1229","0.0896","","","0.2269","0.2488","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112620","11.3249","0.0005","21.9882","0.001","21.0171","0.001","90","","100.935","0.001","90","","5138.5","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94.5 H14 La S5 -","- C94.5 H14 La S5 -","- C378 H56 La4 S20 -","4","1","","Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto","Isolation and Characterization of a Carbene Derivative of La@C82","Journal of the American Chemical Society","2004","126","","6858","6859","10.1021/ja0316115","","","0.71073","MoKα","","0.153","0.1452","","","0.3389","0.3448","","","","","","1.203","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112621","11.318","0.007","11.675","0.007","13.253","0.008","93.94","0.02","97.22","0.02","106.93","0.02","1651.8","1.8","297","2","297","2","","","","","","","","5","P -1","-P 1","2","CpRuH(PP^Ph^PF)","","","- C42 H38 Fe P2 Ru -","- C42 H38 Fe P2 Ru -","- C84 H76 Fe2 P4 Ru2 -","2","1","","Ester Cayuela; Félix A. Jalón; Blanca R. Manzano; Gustavo Espino; Walter Weissensteiner; Kurt Mereiter","Monocyclopentadienylhydride Derivatives of Ruthenium: Stereoselective Proton Transfer and Proton-Hydride Exchange in an Extremely Short Dihydrogen Bond","Journal of the American Chemical Society","2004","126","","7049","7062","10.1021/ja031926k","","","0.71073","MoKα","","0.0431","0.0329","","","0.0793","0.088","","","","","","1.048","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112622","11.35","0.005","11.543","0.005","16.084","0.007","82.07","0.02","88.66","0.02","62.05","0.02","1841.6","1.4","297","2","297","2","","","","","","","","7","P -1","-P 1","2","CpRu(CF3CO2)(PP^Ph^PF)","","","- C44 H37 F3 Fe O2 P2 Ru -","- C44 H37 F3 Fe O2 P2 Ru -","- C88 H74 F6 Fe2 O4 P4 Ru2 -","2","1","","Ester Cayuela; Félix A. Jalón; Blanca R. Manzano; Gustavo Espino; Walter Weissensteiner; Kurt Mereiter","Monocyclopentadienylhydride Derivatives of Ruthenium: Stereoselective Proton Transfer and Proton-Hydride Exchange in an Extremely Short Dihydrogen Bond","Journal of the American Chemical Society","2004","126","","7049","7062","10.1021/ja031926k","","","0.71073","MoKα","","0.0449","0.0328","","","0.083","0.0901","","","","","","1.016","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112623","10.3814","0.0002","18.4524","0.0003","30.1861","0.0007","90","","92.957","0.001","90","","5774.8","0.2","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Br2 Ir N2 O2 S2 -","- C31 H21 Br2 Ir N2 O2 S2 -","- C248 H168 Br16 Ir8 N16 O16 S16 -","8","2","","Albertus J. Sandee; Charlotte K. Williams; Nicholas R. Evans; John E. Davies; Clare E. Boothby; Anna Köhler; Richard H. Friend; Andrew B. Holmes","Solution-Processible Conjugated Electrophosphorescent Polymers","Journal of the American Chemical Society","2004","126","","7041","7048","10.1021/ja039445o","","","0.71073","MoKα","","0.103","0.0787","","","0.2","0.2204","","","","","","1.219","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112624","9.8665","0.0015","12.1832","0.0018","16.897","0.003","90","","90","","90","","2031.1","0.6","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Jason J. Shiers; Michael Shipman; Jerome F. Hayes; Alexandra M. Z. Slawin","Rare Example of Nucleophilic Substitution at Vinylic Carbon with Inversion: Mechanism of Methyleneaziridine Formation by Sodium Amide Induced Ring Closure Revisited","Journal of the American Chemical Society","2004","126","","6868","6869","10.1021/ja0482684","","","0.71073","MoKα","","0.0506","0.0368","","","0.0763","0.0812","","","","","","0.99","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112625","7.4715","0.0008","11.4568","0.0012","21.543","0.002","90","","94.321","0.002","90","","1838.8","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Jason J. Shiers; Michael Shipman; Jerome F. Hayes; Alexandra M. Z. Slawin","Rare Example of Nucleophilic Substitution at Vinylic Carbon with Inversion: Mechanism of Methyleneaziridine Formation by Sodium Amide Induced Ring Closure Revisited","Journal of the American Chemical Society","2004","126","","6868","6869","10.1021/ja0482684","","","0.71073","MoKα","","0.0383","0.0331","","","0.0788","0.0821","","","","","","1.037","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112626","19.139","0.003","19.139","0.003","18.5941","0.0013","90","","90","","120","","5898.5","1.4","170","2","170","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C66 H126 N6 O42 U3 -","- C66 H108 N6 O42 U3 -","- C132 H216 N12 O84 U6 -","2","0.166667","","Pierre Thuéry; Claude Villiers; Joël Jaud; Michel Ephritikhine; Bernardo Masci","Uranyl-Based Metallamacrocycles: Tri- and Tetranuclear Complexes with (2R,3R,4S,5S)-Tetrahydrofurantetracarboxylic Acid","Journal of the American Chemical Society","2004","126","","6838","6839","10.1021/ja0485964","","","0.71073","MoKα","","0.1258","0.0644","","","0.1645","0.1998","","","","","","1.06","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112627","15.9353","0.0016","15.9353","0.0016","23.817","0.003","90","","90","","90","","6047.9","1.1","180","2","180","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C82 H156 N8 O48 U4 -","- C82 H144 N8 O48 U4 -","- C164 H288 N16 O96 U8 -","2","0.125","","Pierre Thuéry; Claude Villiers; Joël Jaud; Michel Ephritikhine; Bernardo Masci","Uranyl-Based Metallamacrocycles: Tri- and Tetranuclear Complexes with (2R,3R,4S,5S)-Tetrahydrofurantetracarboxylic Acid","Journal of the American Chemical Society","2004","126","","6838","6839","10.1021/ja0485964","","","0.71073","MoKα","","0.1254","0.0627","","","0.1323","0.1669","","","","","","1.071","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112628","17.3108","0.0007","18.1981","0.0009","40.7902","0.0013","90","","90","","90","","12849.9","0.9","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C152 H112.5 F6 N O4.25 P -","- C152 H102 F6 N O4.25 P -","- C608 H408 F24 N4 O17 P4 -","4","1","","Takashi Ooi; Daisuke Ohara; Masazumi Tamura; Keiji Maruoka","Design of New Chiral Phase-Transfer Catalysts with Dual Functions for Highly Enantioselective Epoxidation of α,β-Unsaturated Ketones","Journal of the American Chemical Society","2004","126","","6844","6845","10.1021/ja048600b","","","0.7107","MoKα","","","0.081","","","","0.12","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112629","18.0416","0.0003","24.7309","0.0002","18.9007","0.0003","90","","111.682","0.001","90","","7836.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H67 Cl5 O Os P4 -","- C78.5 H63 Cl5 O Os P4 -","- C314 H252 Cl20 O4 Os4 P16 -","4","1","","Haiping Xia; Guomei He; Hong Zhang; Ting Bin Wen; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Osmabenzenes from the Reactions of HC\τbCCH(OH)C\τbCH with OsX2(PPh3)3 (X = Cl, Br)","Journal of the American Chemical Society","2004","126","","6862","6863","10.1021/ja0486871","","","0.71073","MoKα","","0.1948","0.0789","","","0.1704","0.2255","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112630","11.4923","0.0007","14.1998","0.0008","17.7994","0.001","94.335","0.001","95.037","0.001","104.761","0.001","2783.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H68.5 Cl5 O3.25 Os P5 -","- C51 H66 Cl5 O3.25 Os P5 -","- C102 H132 Cl10 O6.5 Os2 P10 -","2","1","","Haiping Xia; Guomei He; Hong Zhang; Ting Bin Wen; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Osmabenzenes from the Reactions of HC\τbCCH(OH)C\τbCH with OsX2(PPh3)3 (X = Cl, Br)","Journal of the American Chemical Society","2004","126","","6862","6863","10.1021/ja0486871","","","0.71073","MoKα","","0.0402","0.0321","","","0.0675","0.07","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112631","14.077","0.004","15.061","0.004","22.746","0.006","80.518","0.004","84.853","0.004","66.374","0.004","4356","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[K-(2,2,2-crypt)]3(Si9)*8(NH3)","","- C54 H108 K3 N15 O18 Si9 -","- C54 H108 K3 N15 O18 Si9 -","- C108 H216 K6 N30 O36 Si18 -","2","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.134","0.0791","","","0.1685","0.1782","","","","","","1.308","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112632","18.127","0.003","19.439","0.004","23.32","0.004","86.515","0.003","88.861","0.004","87.718","0.004","8194","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Rb-(2,2,2-crypt)]6(Si9)(Si9)*6.3(NH3)","","- C108 H216 N18.3 O36 Rb6 Si18 -","- C108 H216 N18.3 O36 Rb6 Si18 -","- C216 H432 N36.6 O72 Rb12 Si36 -","2","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.1564","0.077","","","0.1654","0.1885","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112633","11.1627","0.0019","11.863","0.003","12.101","0.002","119.333","0.003","100.859","0.003","91.662","0.004","1358.1","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","[Rb-(2,2,2-crypt)]2(Si5)*4(NH3)","","- C36 H72 N8 O12 Rb2 Si5 -","- C36 H72 N8 O12 Rb2 Si5 -","- C36 H72 N8 O12 Rb2 Si5 -","1","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.0931","0.0705","","","0.1713","0.1889","","","","","","1.005","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112634","13.6394","0.0011","14.8506","0.0011","22.7034","0.0018","86.614","0.004","79.222","0.003","79.168","0.003","4435.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H118 K3 N8.5 O18 Si9 -","- C66.5 H118 K3 N8.5 O18 Si9 -","- C133 H236 K6 N17 O36 Si18 -","2","1","","Jose M. Goicoechea; Slavi C. Sevov","Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-","Journal of the American Chemical Society","2004","126","","6860","6861","10.1021/ja0488075","","","0.71073","MoKα","","0.1315","0.0653","","","0.135","0.1511","","","","","","0.83","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112635","17.31","0.002","16.038","0.002","19.006","0.003","90","","90.782","0.003","90","","5275.9","1.2","293","2","213","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Cr3(dpa)4(NCO)F]PF6,3CH2Cl2","","","- C44 H38 Cl6 Cr3 F7 N13 O P -","- C44 H38 Cl6 Cr3 F7 N13 O P -","- C176 H152 Cl24 Cr12 F28 N52 O4 P4 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0867","0.0521","","","0.1312","0.1514","","","","","","1.031","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112636","18.634","0.005","29.357","0.017","16.142","0.003","90","","90","","90","","8830","6","213","2","213","2","","","","","","","","5","P n a 21","P 2c -2n","33","Cr3(dpa)4Cl2, benzene","","","- C46 H38 Cl2 Cr3 N12 -","- C46 H38 Cl2 Cr3 N12 -","- C368 H304 Cl16 Cr24 N96 -","8","2","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0707","0.054","","","0.1203","0.1333","","","","","","1.14","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112637","18.475","0.0017","14.965","0.004","16.469","0.0013","90","","90","","90","","4553.3","1.3","213","2","213","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cr3(dpa)4Cl2, toluene","","","- C47 H40 Cl2 Cr3 N12 -","- C47 H40 Cl2 Cr3 N12 -","- C188 H160 Cl8 Cr12 N48 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0646","0.0516","","","0.1158","0.1251","","","","","","1.075","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112638","12.9961","0.0016","14.1381","0.0008","11.3306","0.0013","90","","90","","90","","2081.9","0.4","213","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","Cr3(dpa)4Cl2, CH2Cl2","","","- C41 H34 Cl4 Cr3 N12 -","- C41 H33 Cl4 Cr3 N12 -","- C82 H66 Cl8 Cr6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0533","0.0449","","","0.1078","0.1155","","","","","","1.079","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112639","16.1062","0.0009","15.8183","0.0009","17.0329","0.0009","90","","98.471","0.001","90","","4292.2","0.4","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4Cl2, Et2O","","","- C44 H42 Cl2 Cr3 N12 O -","- C44 H42 Cl2 Cr3 N12 O -","- C176 H168 Cl8 Cr12 N48 O4 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0998","0.0522","","","0.0913","0.1054","","","","","","0.992","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112640","19.1659","0.0006","19.1659","0.0006","16.0803","0.001","90","","90","","90","","5906.8","0.5","213","2","213","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","Cr3(depa)4Cl2 0.5hexane","","","- C59 H71 Cl2 Cr3 N12 -","- C59 H64 Cl2 Cr3 N12 -","- C236 H256 Cl8 Cr12 N48 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0388","0.0334","","","0.0919","0.0992","","","","","","1.097","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112641","17.9292","0.0012","17.9292","0.0012","21.828","0.003","90","","90","","90","","7016.7","1.2","213","2","213","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","[Cr3(depa)4Cl2]I3","","","- C56 H64 Cl2 Cr3 I3 N12 -","- C56 H64 Cl2 Cr3 I3 N12 -","- C224 H256 Cl8 Cr12 I12 N48 -","4","0.25","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.1044","0.0984","","","0.2526","0.2588","","","","","","1.088","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112642","28.0572","0.0019","10.1744","0.0007","22.8994","0.0016","90","","124.674","0.001","90","","5376","0.6","293","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cr3(dpa)4(NCMe)2(PF6)2.2NCMe","","","- C48 H44 Cr3 F12 N16 P2 -","- C48 H44 Cr3 F12 N16 P2 -","- C192 H176 Cr12 F48 N64 P8 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0367","0.032","","","0.0872","0.0911","","","","","","1.031","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112643","13.32","0.005","14.299","0.006","11.46","0.005","90","","90","","90","","2182.7","1.6","293","2","213","2","","","","","","","","6","P n n 2","P 2 -2n","34","Cr3(dpa)4I2, CH2Cl2","","","- C41 H34 Cl2 Cr3 I2 N12 -","- C41 H34 Cl2 Cr3 I2 N12 -","- C82 H68 Cl4 Cr6 I4 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0282","0.0257","","","0.0671","0.0692","","","","","","1.042","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112644","13.0976","0.0013","14.2026","0.0014","11.4101","0.0011","90","","90","","90","","2122.5","0.4","293","2","213","2","","","","","","","","6","P n n 2","P 2 -2n","34","Cr3(dpa)4Br2, CH2Cl2","","","- C41 H34 Br2 Cl2 Cr3 N12 -","- C41 H34 Br2 Cl2 Cr3 N12 -","- C82 H68 Br4 Cl4 Cr6 N24 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0319","0.0262","","","0.0644","0.0673","","","","","","1.042","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112645","16.289","0.003","16.3743","0.0015","17.3732","0.0013","90","","103.624","0.009","90","","4503.4","1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4(NO3)2,Et2O","","","- C44 H42 Cr3 N14 O7 -","- C44 H42 Cr3 N14 O7 -","- C176 H168 Cr12 N56 O28 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.1098","0.0818","","","0.1684","0.1866","","","","","","1.106","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112646","18.844","0.003","17.059","0.003","16.439","0.003","90","","111.71","0.003","90","","4909.6","1.5","293","2","213","2","","","","","","","","7","C 1 c 1","C -2yc","9","Cr3(dpa)4(BF4)2, 2CH2Cl2","","","- C42 H36 B2 Cl4 Cr3 F8 N12 -","- C42 H36 B2 Cl4 Cr3 F8 N12 -","- C168 H144 B8 Cl16 Cr12 F32 N48 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.055","0.053","","","0.1472","0.1497","","","","","","1.102","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112647","13.2514","0.0008","14.1573","0.0008","11.4203","0.0007","90","","90","","90","","2142.5","0.2","293","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","Cr3(dpa)4(CN)2.CH2Cl2","","","- C43 H34 Cl2 Cr3 N14 -","- C43 H34 Cl2 Cr3 N14 -","- C86 H68 Cl4 Cr6 N28 -","2","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0281","0.0255","","","0.0667","0.0685","","","","","","1.057","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112648","16.956","0.006","18.688","0.006","16.949","0.006","90","","108.149","0.006","90","","5103","3","293","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cr3(dpa)4(NCS)2.2Benzene","","","- C54 H44 Cr3 N14 S2 -","- C54 H44 Cr3 N14 S2 -","- C216 H176 Cr12 N56 S8 -","4","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0539","0.0377","","","0.0977","0.1084","","","","","","1.074","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112649","14.285","0.001","24.3558","0.0017","31.508","0.002","90","","90","","90","","10962.3","1.3","213","2","213","2","","","","","","","","5","F d d 2","F 2 -2d","43","Cr3(dpa)4(NCS)2, (toluene)2","","","- C56 H48 Cr3 N14 S2 -","- C56 H47 Cr3 N14 S2 -","- C448 H376 Cr24 N112 S16 -","8","0.5","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0387","0.0332","","","0.0824","0.0864","","","","","","1.071","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112650","13.869","0.002","16.771","0.003","17.083","0.003","90","","94.928","0.003","90","","3958.8","1.1","293","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4(NCO)2","","","- C42 H32 Cr3 N14 O2 -","- C42 H32 Cr3 N14 O2 -","- C168 H128 Cr12 N56 O8 -","4","1","","John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang","Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains","Journal of the American Chemical Society","2004","126","","7082","7096","10.1021/ja049055h","","","0.71073","MoKα","","0.0613","0.0468","","","0.1265","0.1361","","","","","","1.033","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112651","10.8639","0.001","7.1013","0.0006","14.5222","0.0013","90","","106.677","0.002","90","","1073.23","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ag2C4 6AgNO3 2H2O","","- C4 H4 Ag8 F0 N6 O20 -","- C4 Ag8 N6 O20 -","- C8 Ag16 N12 O40 -","2","0.5","","Liang Zhao; Thomas C. W. Mak","Silver(I) 1,3-Butadiynediide and Two Related Silver(I) Double Salts Containing the C42- Dianion","Journal of the American Chemical Society","2004","126","","6852","6853","10.1021/ja049772b","","","0.71073","MoKα","","0.0651","0.0598","","","0.1626","0.1677","","","","","","1.106","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112652","11.8995","0.0015","15.531","0.002","24.692","0.003","90","","90.171","0.003","90","","4563.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ag2C4 6AgNO3 3H2O","","- C8 H12 Ag16 N12 O42 -","- C8 Ag16 N12 O42 -","- C32 Ag64 N48 O168 -","4","1","","Liang Zhao; Thomas C. W. Mak","Silver(I) 1,3-Butadiynediide and Two Related Silver(I) Double Salts Containing the C42- Dianion","Journal of the American Chemical Society","2004","126","","6852","6853","10.1021/ja049772b","","","0.71073","MoKα","","0.0893","0.0479","","","0.1485","0.1747","","","","","","1.052","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112653","9.278","0.004","9.278","0.004","10.093","0.003","90","","90","","120","","752.4","0.5","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C8 Cl4 N2 -","- C7.98 Cl4.02 N1.98 -","- C23.94 Cl12.06 N5.94 -","3","0.0833333","","Maryjane Tremayne; Leanne Grice; James C. Pyatt; Colin C. Seaton; Benson M. Kariuki; Helen H. Y. Tsui; Sarah L. Price; Julian C. Cherryman","Characterization of Complicated New Polymorphs of Chlorothalonil by X-ray Diffraction and Computer Crystal Structure Prediction","Journal of the American Chemical Society","2004","126","","7071","7081","10.1021/ja0498235","","","0.71069","MoKα","","0.0614","0.0609","","0.1451","0.1447","","","","1.176","1.183","1.183","","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112654","13.591","0.002","6.3033","0.0009","18.429","0.003","90","","109.448","0.005","90","","1488.7","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 Cl4 N2 -","- C8 Cl4 N2 -","- C48 Cl24 N12 -","6","3","","Maryjane Tremayne; Leanne Grice; James C. Pyatt; Colin C. Seaton; Benson M. Kariuki; Helen H. Y. Tsui; Sarah L. Price; Julian C. Cherryman","Characterization of Complicated New Polymorphs of Chlorothalonil by X-ray Diffraction and Computer Crystal Structure Prediction","Journal of the American Chemical Society","2004","126","","7071","7081","10.1021/ja0498235","","","0.71069","MoKα","","0.0793","0.0696","","","0.1318","0.1383","","","","","","1.128","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112655","11.469","0.002","4.831","0.001","14.575","0.003","90","","93.67","0.03","90","","805.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N2 O3 -","- C14 H26 N2 O3 -","- C28 H52 N4 O6 -","2","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71069","MoKα","","0.0477","0.0348","","","0.0831","0.1104","","","","","","1.042","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112656","26.917","0.004","26.917","0.004","12.114","0.002","90","","90","","90","","8777","2","301","2","301","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C20 H31 N2 O5.5 -","- C20 H30 N2 O5.5 -","- C320 H480 N32 O88 -","16","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71069","MoKα","","0.1189","0.0897","","","0.2606","0.278","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112657","10.143","0.002","11.246","0.002","18.721","0.004","90","","90","","90","","2135.5","0.7","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N2 O4 -","- C18 H33 N2 O4 -","- C72 H132 N8 O16 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0833","0.0642","","","0.1708","0.1824","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112658","10.225","0.002","11.534","0.002","18.169","0.004","90","","90","","90","","2142.8","0.7","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 N2 O3 -","- C18 H34 N2 O3 -","- C72 H136 N8 O12 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0729","0.0473","","","0.1249","0.133","","","","","","0.963","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112659","5.62","0.001","13.03","0.002","23.463","0.003","90","","90","","90","","1718.2","0.5","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O4 -","- C16 H22.5 N2 O4 -","- C64 H90 N8 O16 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0603","0.051","","","0.1507","0.1641","","","","","","1.122","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112660","4.846","0.001","5.949","0.0012","19.861","0.004","85","0.03","88.23","0.03","68.31","0.03","530","0.2","301","2","301","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H33 N3 O5 -","- C18 H33 N3 O5 -","- C18 H33 N3 O5 -","1","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0555","0.0468","","","0.1193","0.1245","","","","","","1.06","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112661","12.252","0.002","14.313","0.002","15.292","0.002","76.069","0.009","69.391","0.008","86.72","0.01","2435.1","0.6","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H53 Cl2 N9 O2 Pd2 -","- C52 H53 Cl2 N9 O2 Pd2 -","- C104 H106 Cl4 N18 O4 Pd4 -","2","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.047","","","","0.1142","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112662","17.276","0.005","69.1","0.1","9.519","0.002","90","","90","","90","","11364","17","123.2","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H38 Cl N3 O Pd -","- C31 H38 Cl N3 O Pd -","- C496 H608 Cl16 N48 O16 Pd16 -","16","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.038","","","","0.1012","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112663","8.5354","0.0006","15.3198","0.0009","21.615","0.002","90","","87.961","0.003","90","","2824.6","0.4","133.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Cl N3 O Pd -","- C31 H38 Cl N3 O Pd -","- C124 H152 Cl4 N12 O4 Pd4 -","4","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.0299","","","","0.0769","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112664","11.777","0.002","8.45","0.002","30.106","0.006","90","","96.9551","0.0009","90","","2974","1","123.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 Cl N3 O Pd -","- C32 H31 Cl N3 O Pd -","- C128 H124 Cl4 N12 O4 Pd4 -","4","1","","Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi","Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation","Journal of the American Chemical Society","2004","126","","7378","7385","10.1021/ja031587v","","","0.7107","MoKα","","","0.0397","","","","0.1078","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112665","12.889","0.0002","47.3431","0.0006","13.7109","0.0002","90","","113.833","0.0005","90","","7653.01","0.19","183.2","","183.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cl6 Mn4 N12 O37 -","- C60 H44 Cl6 Mn4 N12 O37 -","- C240 H176 Cl24 Mn16 N48 O148 -","4","1","","Hongyu Chen; J. W. Faller; Robert H. Crabtree; Gary W. Brudvig","Dimer-of-Dimers Model for the Oxygen-Evolving Complex of Photosystem II. Synthesis and Properties of [MnIV4O5(terpy)4(H2O)2](ClO4)6","Journal of the American Chemical Society","2004","126","","7345","7349","10.1021/ja037389l","","","0.7107","MoKα","","0.1602","0.089","","0.176","","0.097","","","4.879","","","3.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112666","6.0201","0.0003","8.1669","0.0004","39.57","0.002","90","","90","","90","","1945.48","0.17","158.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O S -","- C24 H23 N O S -","- C96 H92 N4 O4 S4 -","4","1","","Reema K. Thalji; Jonathan A. Ellman; Robert G. Bergman","Highly Efficient and Enantioselective Cyclization of Aromatic Imines via Directed C-H Bond Activation","Journal of the American Chemical Society","2004","126","","7192","7193","10.1021/ja0394986","","","0.7107","MoKα","","","0.0469","","","","0.0531","","","","","","2.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112667","8.687","0.0007","4.9906","0.0004","20.473","0.002","90","","98.857","0.001","90","","876.99","0.13","170.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N O2 S -","- C20 H23 N O2 S -","- C40 H46 N2 O4 S2 -","2","1","","Reema K. Thalji; Jonathan A. Ellman; Robert G. Bergman","Highly Efficient and Enantioselective Cyclization of Aromatic Imines via Directed C-H Bond Activation","Journal of the American Chemical Society","2004","126","","7192","7193","10.1021/ja0394986","","","0.7107","MoKα","","","0.0478","","","","0.0624","","","","","","2.366","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112668","24.089","0.005","14.957","0.003","28.235","0.006","90","","110.53","0.03","90","","9527","4","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H92 Cu3 F12 N P8 -","- C101 H92 Cu3 F12 N P8 -","- C404 H368 Cu12 F48 N4 P32 -","4","1","","Wing-Yin Lo; Chi-Ho Lam; Vivian Wing-Wah Yam; Nianyong Zhu; Kung-Kai Cheung; Sofiane Fathallah; Sabri Messaoudi; Boris Le Guennic; Samia Kahlal; Jean-François Halet","Synthesis, Photophysics, Electrochemistry, Theoretical, and Transient Absorption Studies of Luminescent Copper(I) and Silver(I) Diynyl Complexes. X-ray Crystal Structures of [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCPh)2]PF6 and [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCH)2]PF6","Journal of the American Chemical Society","2004","126","","7300","7310","10.1021/ja049300x","","","0.71073","MoKα","","0.1206","0.0576","","","0.15","0.1904","","","","","","0.963","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112669","14.633","0.002","27.457","0.004","19.035","0.003","90","","106.8","0.03","90","","7321","2","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H68 Cu3 F6 P7 -","- C83 H68 Cu3 F6 P7 -","- C332 H272 Cu12 F24 P28 -","4","1","","Wing-Yin Lo; Chi-Ho Lam; Vivian Wing-Wah Yam; Nianyong Zhu; Kung-Kai Cheung; Sofiane Fathallah; Sabri Messaoudi; Boris Le Guennic; Samia Kahlal; Jean-François Halet","Synthesis, Photophysics, Electrochemistry, Theoretical, and Transient Absorption Studies of Luminescent Copper(I) and Silver(I) Diynyl Complexes. X-ray Crystal Structures of [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCPh)2]PF6 and [Cu3(μ-dppm)3(μ3-η1-C\τbCC\τbCH)2]PF6","Journal of the American Chemical Society","2004","126","","7300","7310","10.1021/ja049300x","","","0.71073","MoKα","","0.0813","0.0527","","","0.1437","0.1678","","","","","","1.009","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112670","24.991","0.005","51.872","0.01","9.933","0.002","90","","90","","90","","12876","4","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C640 H512 N32 -","16","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1055","0.0549","","","0.1398","0.1505","","","","","","1.023","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112671","12.612","0.003","14.778","0.003","14.257","0.003","90","","104.05","0.03","90","","2577.7","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N2 S3 -","- C30 H19 N2 S3 -","- C120 H76 N8 S12 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1118","0.0548","","","0.1267","0.1394","","","","","","1.002","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112672","10.014","0.002","13.707","0.003","19.626","0.004","90","","90","","90","","2693.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 S2 -","- C34 H24 N2 S2 -","- C136 H96 N8 S8 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.0793","0.0351","","","0.0552","0.0594","","","","","","0.848","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112673","10.114","0.002","10.915","0.002","19.17","0.004","90","","96.44","0.03","90","","2102.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O -","- C24 H27 N O -","- C96 H108 N4 O4 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.1015","0.0412","","","0.0823","0.0898","","","","","","0.938","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112674","10.905","0.001","18.917","0.002","20.445","0.001","90","","90.99","0.01","90","","4217","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex 2","","","- C49 H51 B Co N4 S -","- C49 H51 B Co N4 S -","- C196 H204 B4 Co4 N16 S4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1143","0.0602","","","0.1054","0.1256","","","","","","1.028","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112675","10.86","0.001","18.999","0.001","20.344","0.002","90","","91.16","0.01","90","","4196.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","complex 3","","","- C49 H51 B N4 Ni S -","- C49 H51 B N4 Ni S -","- C196 H204 B4 N16 Ni4 S4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1102","0.0588","","","0.0941","0.1109","","","","","","1.039","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112676","14.362","0.001","14.835","0.001","19.622","0.001","90","","90","","90","","4180.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","complex 4","","","- C49 H51 B N4 S Zn -","- C49 H51 B N4 S Zn -","- C196 H204 B4 N16 S4 Zn4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.114","0.0487","","","0.0777","0.0918","","","","","","1.014","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112677","18.62","0.002","17.399","0.002","36.26","0.006","90","","90","","90","","11747","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex 5","","","- C70 H70 B2 Co N6 -","- C70 H70 B2 Co N6 -","- C560 H560 B16 Co8 N48 -","8","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1407","0.0519","","","0.1142","0.1443","","","","","","1.01","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112678","11.355","0.002","13.064","0.002","18.333","0.002","88.52","0.02","86.13","0.01","88.74","0.02","2711.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","complex 6","","","- C68 H67 B2 N5 Ni -","- C68 H67 B2 N5 Ni -","- C136 H134 B4 N10 Ni2 -","2","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1391","0.0728","","","0.1132","0.1344","","","","","","1.037","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112679","8.795","0.002","9.913","0.002","15.211","0.003","84.99","0.03","79.19","0.03","73.45","0.03","1247.9","0.5","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cl N3 O4 Pt -","- C26 H30 Cl N3 O4 Pt -","- C52 H60 Cl2 N6 O8 Pt2 -","2","1","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71069","MoKα","","0.0649","0.0504","","","0.1254","0.1427","","","","","","1.031","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112680","59.405","0.012","13.579","0.003","29.636","0.006","90","","108.55","0.03","90","","22664","9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H119 Cl3 N9 O12 P3 Pt3 -","- C110 H110 Cl3 N9 O12 P3 Pt3 -","- C880 H880 Cl24 N72 O96 P24 Pt24 -","8","1","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71069","MoKα","","0.0852","0.0597","","","0.1788","0.1881","","","","","","1.019","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112681","17.556","0.004","20.772","0.004","27.514","0.006","90","","102.1","0.03","90","","9811","4","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H80 Cl3 N8 O18 P3 Pt3 -","- C93 H69 Cl3 N8 O18 P3 Pt3 -","- C372 H276 Cl12 N32 O72 P12 Pt12 -","4","1","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71069","MoKα","","0.1038","0.0553","","","0.1525","0.1733","","","","","","0.986","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112682","19.365","0.003","19.365","0.003","42.143","0.008","90","","90","","120","","13686","4","253","2","253","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C77 H82 F12 N6 O8 P4 Pt2 -","- C77 H82 F12 N6 O8 P4 Pt2 -","- C462 H492 F72 N36 O48 P24 Pt12 -","6","0.5","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71073","MoKα","","0.0844","0.0497","","","0.1411","0.1618","","","","","","1.034","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112683","12.308","0.003","13.948","0.003","32.345","0.007","90","","90","","90","","5553","2","301","2","301","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C57 H46 Cl2 N6 O8 P2 Pt2 S2 -","- C57 H28 Cl2 N6 O8 P2 Pt2 S2 -","- C228 H112 Cl8 N24 O32 P8 Pt8 S8 -","4","0.5","","Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui","Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries","Journal of the American Chemical Society","2004","126","","7639","7651","10.1021/ja039727o","","","0.71073","MoKα","","0.0862","0.053","","","0.1545","0.1684","","","","","","1.07","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112684","10.397","0.001","10.6917","0.001","13.8862","0.0013","81.785","0.002","78.731","0.002","88.759","0.002","1498.3","0.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N O -","- C18 H20 N O -","- C72 H80 N4 O4 -","4","4","","Phil S. Baran; Jeremy M. Richter","Direct Coupling of Indoles with Carbonyl Compounds: Short, Enantioselective, Gram-Scale Synthetic Entry into the Hapalindole and Fischerindole Alkaloid Families","Journal of the American Chemical Society","2004","126","","7450","7451","10.1021/ja047874w","","","0.71073","MoKα","","0.0794","0.0535","","","0.1123","0.1263","","","","","","1.007","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112685","7.857","0.003","10.517","0.004","18.996","0.006","81.092","0.005","81.484","0.006","69.293","0.005","1443.2","0.9","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 N2 O4 S Si -","- C28 H36 N2 O4 S Si -","- C56 H72 N4 O8 S2 Si2 -","2","1","","Randy F. Sweis; Michael P. Schramm; Sergey A. Kozmin","Silver-Catalyzed [2 + 2] Cycloadditions of Siloxy Alkynes","Journal of the American Chemical Society","2004","126","","7442","7443","10.1021/ja048251l","","","0.71073","MoKα","","0.0554","0.0534","","","0.145","0.1469","","","","","","1.082","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112686","12.2784","0.001","14.8498","0.0012","14.4883","0.0012","90","","102.044","0.002","90","","2583.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H82 Ca2 N2 O4 Si4 -","- C42 H72.94 Ca2 N2 O4 Si4 -","- C84 H145.88 Ca4 N4 O8 Si8 -","2","0.5","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0813","0.0669","","","0.1428","0.1522","","","","","","1.137","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112687","22.868","0.004","14.045","0.003","21.61","0.004","90","","105.937","0.004","90","","6674","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H84 K4 O4 -","- C72 H84 K4 O4 -","- C288 H336 K16 O16 -","4","1","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.1143","0.0896","","","0.2071","0.2145","","","","","","1.105","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112688","11.4533","0.0015","17.285","0.002","19.218","0.003","90","","90.438","0.002","90","","3804.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H62 Ca K N3 O Si6 -","- C22 H62 Ca K N3 O Si6 -","- C88 H248 Ca4 K4 N12 O4 Si24 -","4","1","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0676","0.0486","","","0.1378","0.1475","","","","","","1.094","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112689","11.3419","0.0013","23.324","0.003","13.5278","0.0016","90","","96.34","0.002","90","","3556.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Ca K O4 -","- C37 H47 Ca K O4 -","- C148 H188 Ca4 K4 O16 -","4","1","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0754","0.0517","","","0.1454","0.1553","","","","","","1.006","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112690","26.746","0.005","12.27","0.002","19.878","0.004","90","","115.091","0.003","90","","5907.9","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H84 Ca K2 O8 -","- C60 H84 Ca K2 O8 -","- C240 H336 Ca4 K8 O32 -","4","0.5","","Xuyang He; Bruce C. Noll; Alicia Beatty; Robert E. Mulvey; Kenneth W. Henderson","Ketone Deprotonation Mediated by Mono- and Heterobimetallic Alkali and Alkaline Earth Metal Amide Bases: Structural Characterization of Potassium, Calcium, and Mixed Potassium-Calcium Enolates","Journal of the American Chemical Society","2004","126","","7444","7445","10.1021/ja048750m","","","0.71073","MoKα","","0.0878","0.0536","","","0.1255","0.1445","","","","","","1.075","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112691","12.4536","0.0009","16.1001","0.0011","24.7739","0.0017","90","","102.798","0.001","90","","4843.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Cl3 N4 Ru2 -","- C52 H62 Cl3 N4 Ru2 -","- C208 H248 Cl12 N16 Ru8 -","4","1","","Soon Hyeok Hong; Michael W. Day; Robert H. Grubbs","Decomposition of a Key Intermediate in Ruthenium-Catalyzed Olefin Metathesis Reactions","Journal of the American Chemical Society","2004","126","","7414","7415","10.1021/ja0488380","","","0.71073","MoKα","","0.0952","0.0488","","","0.0803","0.0859","","","","","","1.396","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112692","43.157","0.01","12.009","0.003","20.925","0.004","90","","94.19","0.003","90","","10816","4","173.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 B Cl F4 P3 Pt -","- C61 H56 B Cl2 F4 P3 Pt -","- C488 H448 B8 Cl16 F32 P24 Pt8 -","8","1","","Morifumi Fujita; Wan Hyeok Kim; Yuichi Sakanishi; Koji Fujiwara; Sayaka Hirayama; Tadashi Okuyama; Yasuhiro Ohki; Kazuyuki Tatsumi; Yasunori Yoshioka","Elimination-Addition Mechanism for Nucleophilic Substitution Reaction of Cyclohexenyl Iodonium Salts and Regioselectivity of Nucleophilic Addition to the Cyclohexyne Intermediate","Journal of the American Chemical Society","2004","126","","7548","7558","10.1021/ja0496672","","","0.7107","MoKα","","","0.0413","","","","0.0627","","","","","","1.716","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112693","14.5249","0.0009","17.453","0.0011","22.1208","0.0014","90","","124.978","0.001","90","","4594.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 Cl2 Ir N4 O7 S2 -","- C48.01 H45.02 Cl2.02 Ir N4 O7 S2 -","- C192.04 H180.08 Cl8.08 Ir4 N16 O28 S8 -","4","1","","Maria C. DeRosa; Derek J. Hodgson; Gary D. Enright; Brian Dawson; Christopher E. B. Evans; Robert J. Crutchley","Iridium Luminophore Complexes for Unimolecular Oxygen Sensors","Journal of the American Chemical Society","2004","126","","7619","7626","10.1021/ja049872h","","","0.71073","MoKα","","0.0766","0.0434","","","0.1034","0.1176","","","","","","1.012","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112694","11.5162","0.001","12.5395","0.0011","12.5842","0.0011","89.228","0.0014","72.165","0.0014","73.716","0.0014","1655.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl6 N2 O Sb -","- C32 H28 Cl6 N2 O Sb -","- C64 H56 Cl12 N4 O2 Sb2 -","2","1","","Adriana V. Szeghalmi; Marco Erdmann; Volker Engel; Michael Schmitt; Stephan Amthor; Volker Kriegisch; Gilbert Nöll; Rainer Stahl; Christoph Lambert; Dirk Leusser; Dietmar Stalke; Manfred Zabel; Jürgen Popp","How Delocalized IsN,N,N',N'-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure","Journal of the American Chemical Society","2004","126","","7834","7845","10.1021/ja0395386","","","0.71073","MoKα","","0.024","0.0218","","","0.0555","0.0566","","","","","","1.041","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112695","22.713","0.002","17.6662","0.001","18.024","0.0017","90","","111.431","0.01","90","","6732.1","1.1","293","","173","1","","","","","","","University of Regensburg","6","C 1 2/c 1","-C 2yc","15","","[N,N,N',N'-Tetraphenylphenylendiamino+][SbCl6-)]-THF","","- C32 H28 Cl6 N2 O0.5 Sb -","- C32 H28 Cl6 N2 O0.5 Sb -","- C256 H224 Cl48 N16 O4 Sb8 -","8","1","","Adriana V. Szeghalmi; Marco Erdmann; Volker Engel; Michael Schmitt; Stephan Amthor; Volker Kriegisch; Gilbert Nöll; Rainer Stahl; Christoph Lambert; Dirk Leusser; Dietmar Stalke; Manfred Zabel; Jürgen Popp","How Delocalized IsN,N,N',N'-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure","Journal of the American Chemical Society","2004","126","","7834","7845","10.1021/ja0395386","","","0.71073","MoKα","","0.0635","0.0353","","","0.0946","0.1043","","","","","","0.933","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4112696","8.3524","0.0006","10.27","0.0007","13.8018","0.001","106.496","0.0012","100.073","0.0012","95.2343","0.0013","1105.16","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","1","","Adriana V. Szeghalmi; Marco Erdmann; Volker Engel; Michael Schmitt; Stephan Amthor; Volker Kriegisch; Gilbert Nöll; Rainer Stahl; Christoph Lambert; Dirk Leusser; Dietmar Stalke; Manfred Zabel; Jürgen Popp","How Delocalized IsN,N,N',N'-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure","Journal of the American Chemical Society","2004","126","","7834","7845","10.1021/ja0395386","","","0.71073","MoKα","","0.0793","0.0706","","","0.1053","0.1085","","","","","","1.229","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112697","10.692","0.002","8.858","0.002","11.968","0.002","90","","114.4","0.01","90","","1032.2","0.4","200.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 Br2 O3 -","- C19 H24 Br2 O3 -","- C38 H48 Br4 O6 -","2","1","","Vijay Gnanadesikan; Yoshihiro Horiuchi; Takashi Ohshima; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol-Tishchenko Reaction","Journal of the American Chemical Society","2004","126","","7782","7783","10.1021/ja047906f","","","1.5419","CuKα","","","0.038","","","","0.055","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112698","15.1875","0.0004","16.9658","0.0005","7.8798","0.0003","90","","115.833","0.001","90","","1827.47","0.1","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","0.5","","Hye-Young Jang; Michael J. Krische","Rhodium-Catalyzed Reductive Cyclization of 1,6-Diynes and 1,6-Enynes Mediated by Hydrogen: Catalytic C-C Bond Formation via Capture of Hydrogenation Intermediates","Journal of the American Chemical Society","2004","126","","7875","7880","10.1021/ja048498i","","","0.71073","MoKα","","0.0821","0.043","","","0.0856","0.1016","","","","","","0.999","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112699","17.2333","0.0006","24.8954","0.0008","29.6704","0.0009","90","","90","","90","","12729.5","0.7","120","","120","","","","","","","","?","2","P c a b","-P 2bc 2ac","61","","","","- C80 H94 -","- C80 H94 -","- C640 H752 -","8","1","","Zhaohui Wang; Željko Tomović; Marcel Kastler; Ramona Pretsch; Fabrizia Negri; Volker Enkelmann; Klaus Müllen","Graphitic Molecules with Partial ""Zig/Zag"" Periphery","Journal of the American Chemical Society","2004","126","","7794","7795","10.1021/ja048580d","","","1.54184","CuKα","","","0.0804","","","","0.0943","","","","","","0.9609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112700","5.166","0.005","11.04","0.01","24.94","0.03","90","","90","","90","","1422","3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O4 -","- C12 H21 N O4 -","- C48 H84 N4 O16 -","4","1","","Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Enantio- and Diastereoselective, Stereospecific Mannich-Type Reactions in Water","Journal of the American Chemical Society","2004","126","","7768","7769","10.1021/ja048607t","","","0.7107","MoKα","","","0.024","","","","0.053","","","","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112701","11.4952","0.0004","11.4952","0.0004","47.84","0.002","90","","90","","90","","6321.6","0.4","296.2","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C31 H32 Cl4 N2 O2 Zn -","- C31 H34 Cl4 N2 O2 Zn -","- C248 H272 Cl32 N16 O16 Zn8 -","8","1","","Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Enantio- and Diastereoselective, Stereospecific Mannich-Type Reactions in Water","Journal of the American Chemical Society","2004","126","","7768","7769","10.1021/ja048607t","","","0.7107","MoKα","","","0.0739","","","","0.2325","","","","","","2.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112702","11.196","","15.5253","0.001","11.311","","90","","108.132","0.003","90","","1868.46","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu3 I4 N S -","- C9 H14 Cu3 I4 N S -","- C36 H56 Cu12 I16 N4 S4 -","4","1","","Jian-Kai Cheng; Yuan-Gen Yao; Jian Zhang; Zhao-Ji Li; Zong-Wei Cai; Xiang-You Zhang; Zhong-Ning Chen; Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Yi-Hang Wen","A Simultaneous Redox, Alkylation, Self-Assembly Reaction under Solvothermal Conditions Afforded a Luminescent Copper(I) Chain Polymer Constructed of Cu3I4- and EtS-4-C5H4N+Et Components (Et = CH3CH2)","Journal of the American Chemical Society","2004","126","","7796","7797","10.1021/ja048624i","","","0.71073","MoKα","","0.0542","0.0446","","","0.096","0.099","","","","","","1.007","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112703","15.092","0.002","15.092","0.002","13.016","0.003","90","","90","","90","","2964.6","0.9","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H20 Cl6 Cu6 N4 S4 -","- C20 H20 Cl6 Cu6 N4 S4 -","- C80 H80 Cl24 Cu24 N16 S16 -","4","0.25","","Jian-Kai Cheng; Yuan-Gen Yao; Jian Zhang; Zhao-Ji Li; Zong-Wei Cai; Xiang-You Zhang; Zhong-Ning Chen; Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Yi-Hang Wen","A Simultaneous Redox, Alkylation, Self-Assembly Reaction under Solvothermal Conditions Afforded a Luminescent Copper(I) Chain Polymer Constructed of Cu3I4- and EtS-4-C5H4N+Et Components (Et = CH3CH2)","Journal of the American Chemical Society","2004","126","","7796","7797","10.1021/ja048624i","","","0.71073","MoKα","","0.0962","0.0569","","","0.1623","0.1924","","","","","","1.031","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112704","21.6316","0.0005","18.5683","0.0005","12.1535","0.0003","90","","113.025","0.001","90","","4492.7","0.2","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ru2II(mu-Cl)(bpp)(trpy)2](PF6)2","","","- C43 H31 Cl F12 N10 P2 Ru2 -","- C43 H31 Cl F12 N10 P2 Ru2 -","- C172 H124 Cl4 F48 N40 P8 Ru8 -","4","0.5","","Cristina Sens; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Teodor Parella; Jordi Benet-Buchholz","A New Ru Complex Capable of Catalytically Oxidizing Water to Molecular Dioxygen","Journal of the American Chemical Society","2004","126","","7798","7799","10.1021/ja0486824","","","0.71073","MoKα","","0.0695","0.0523","","","0.125","0.1401","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112705","12.81","0.0011","14.3191","0.0012","17.3027","0.0019","83.756","0.005","68.314","0.003","64.237","0.003","2650.9","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","[Ru2II(mu-OAc)(bpp)(trpy)2](PF6)2","","","- C51 H46 F12 N10 O4 P2 Ru2 -","- C51 H46 F12 N10 O4 P2 Ru2 -","- C102 H92 F24 N20 O8 P4 Ru4 -","2","1","","Cristina Sens; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Teodor Parella; Jordi Benet-Buchholz","A New Ru Complex Capable of Catalytically Oxidizing Water to Molecular Dioxygen","Journal of the American Chemical Society","2004","126","","7798","7799","10.1021/ja0486824","","","0.71073","MoKα","","0.0982","0.0601","","","0.151","0.1738","","","","","","1.038","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112706","14.973","0.009","14.973","0.009","9.96","0.008","90","","90","","120","","1934","2","183","2","183","2","","","","","","","","6","P -3","-P 3","147","NW(N[i-Pr]Ar)3","","","- C36 H57 N4 O0.5 Si W -","- C36 H57 N4 O0.5 Si W -","- C72 H114 N8 O Si2 W2 -","2","0.333333","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.0264","0.025","","","0.0583","0.0587","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112707","12.0919","0.001","16.4768","0.0013","20.0774","0.0016","91.902","0.002","100.977","0.001","90.695","0.001","3924.1","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","W(NC(O)CF3)(O2CCF3)(N[i-Pr]Ar)3","","","- C37 H48 F6 N4 O3 W -","- C37 H48 F6 N4 O3 W -","- C148 H192 F24 N16 O12 W4 -","4","2","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.056","0.0497","","","0.1302","0.1339","","","","","","1.002","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112708","9.8866","0.001","16.8619","0.0016","19.8088","0.0019","90","","90","","90","","3302.3","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","W(O)(Cl)(N[i-Pr]Ar)3","","","- C33 H48 Cl N3 O W -","- C33 H48 Cl N3 O W -","- C132 H192 Cl4 N12 O4 W4 -","4","1","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.0188","0.0181","","","0.0418","0.0421","","","","","","1.101","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112709","9.2218","0.0004","14.3152","0.0006","9.8666","0.0004","90","","101.799","0.001","90","","1274.99","0.09","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 Ni P2 Si3 -","- C22 H34.92 Ni P2 Si3 -","- C44 H69.84 Ni2 P4 Si6 -","2","1","","Wanzhi Chen; Shigeru Shimada; Masato Tanaka; Yuka Kobayashi; Kazuhiko Saigo","Reaction of [2-(SiH3)C6H4]2SiH2 with Ni(Et2PCH2CH2PEt2)(PEt3)2: Characterization of η2-(Si-H)Ni and NiIV-H Complexes","Journal of the American Chemical Society","2004","126","","8072","8073","10.1021/ja039244k","","","0.7107","MoKα","","","0.027","","","","0.069","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112710","8.8568","0.0008","19.7932","0.0018","16.5826","0.0015","90","","105.522","0.001","90","","2801","0.4","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H42 Cl2 Si2 Zr -","- C26 H42 Cl2 Si2 Zr -","- C104 H168 Cl8 Si8 Zr4 -","4","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0375","0.034","","","0.0577","0.0582","","","","","","1.212","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112711","12.6459","0.0008","12.6459","0.0008","47.844","0.004","90","","90","","90","","7651.2","0.9","98","","98","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H52 S2 Si2 Zr -","- C38 H52 S2 Si2 Zr -","- C304 H416 S16 Si16 Zr8 -","8","1","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0566","0.0434","","","0.0587","0.0598","","","","","","1.549","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112712","10.3602","0.0005","13.1543","0.0007","14.0843","0.0007","97.199","0.001","104.068","0.001","106.275","0.001","1748.26","0.15","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C33.5 H54 Cl2 Si2 Zr -","- C33.5 H54 Cl2 Si2 Zr -","- C67 H108 Cl4 Si4 Zr2 -","2","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0365","0.0299","","","0.0618","0.063","","","","","","1.447","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112713","13.2833","0.0007","19.3805","0.001","14.7651","0.0008","90","","107.195","0.001","90","","3631.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33.32 H52.64 Cl4.64 Si2 Zr -","- C33.3232 H52.6464 Cl4.6464 Si2 Zr -","- C133.293 H210.586 Cl18.5856 Si8 Zr4 -","4","2","","Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw","Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts","Journal of the American Chemical Society","2004","126","","8216","8231","10.1021/ja040021j","","","0.71073","MoKα","","0.0589","0.0374","","","0.0604","0.0643","","","","","","1.13","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112714","15.51","0.01","4.49","0.004","11.449","0.011","90","","91.567","0.013","90","","797","1.2","173.1","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 F14 -","- C22 F14 -","- C44 F28 -","2","0.5","","Youichi Sakamoto; Toshiyasu Suzuki; Masafumi Kobayashi; Yuan Gao; Yasushi Fukai; Youji Inoue; Fumio Sato; Shizuo Tokito","Perfluoropentacene: High-Performance p-n Junctions and Complementary Circuits with Pentacene","Journal of the American Chemical Society","2004","126","","8138","8140","10.1021/ja0476258","","","0.7107","MoKα","","","0.064","","","","0.204","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112715","12.2348","0.0011","15.2532","0.0013","21.2206","0.0018","96.005","0.002","90.298","0.002","91.165","0.002","3937.5","0.6","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H120 O4 Si6 Y4 -","- C70.5 H120 O4 Si6 Y4 -","- C141 H240 O8 Si12 Y8 -","2","1","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.1501","0.0532","","","0.097","0.118","","","","","","0.844","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112716","26.15","0.002","12.1801","0.0011","23.553","0.002","90","","111.15","0.002","90","","6996.5","1","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H106 O5 Si6 Y4 -","- C60 H106 O5 Si6 Y4 -","- C240 H424 O20 Si24 Y16 -","4","0.5","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.073","0.0366","","","0.0651","0.0699","","","","","","0.768","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112717","12.2223","0.0014","13.9952","0.0016","24.05","0.003","97.319","0.002","92.998","0.002","92.442","0.002","4069.7","0.8","203","1","203","1","","","","","","","","5","P -1","-P 1","2","","","","- C74 H120 O6 Si6 Y4 -","- C74 H104 O6 Si6 Y4 -","- C148 H208 O12 Si12 Y8 -","2","1","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.0889","0.0468","","","0.1067","0.1192","","","","","","1.004","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112718","12.0952","0.0008","25.5168","0.0016","26.5227","0.0016","90","","90","","90","","8185.7","0.9","203","1","203","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C76 H122 O2 Si6 Y4 -","- C76 H116 O2 Si6 Y4 -","- C304 H464 O8 Si24 Y16 -","4","0.5","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.1048","0.0418","","","0.0729","0.0833","","","","","","0.947","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112719","12.5184","0.001","12.7826","0.001","26.647","0.002","78.28","0.002","84.195","0.002","88.834","0.002","4153.7","0.6","153","1","153","1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H124 O Si6 Y4 -","- C76 H123.44 O Si6 Y4 -","- C152 H246.88 O2 Si12 Y8 -","2","1","","Olivier Tardif; Daisuke Hashizume; Zhaomin Hou","Hydrogenation of Carbon Dioxide and Aryl Isocyanates by a Tetranuclear Tetrahydrido Yttrium Complex. Isolation, Structures, and CO2 Insertion Reactions of Methylene Diolate and μ3-Oxo Yttrium Complexes","Journal of the American Chemical Society","2004","126","","8080","8081","10.1021/ja047889u","","","0.71073","MoKα","","0.0784","0.0392","","","0.0769","0.0847","","","","","","0.911","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112720","14.662","0.005","14.817","0.006","16.08","0.005","90","","94.063","0.03","90","","3485","2","","","20","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H61 Br2 Ni2 P4 -","- C26 H61 Br2 Ni2 P4 -","- C104 H244 Br8 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","neutron","","neutron","","","","","","","","","","1.39","","","","","","","has coordinates,has Fobs","178898","2020-10-21","18:00:00",""
"4112721","7.479","0.005","15.246","0.013","19.93","0.02","90","","90","","90","","2273","3","173","","","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C13 H30 Br2 N2 Ni2 O2 P2 -","- C13 H30 Br2 N2 Ni2 O2 P2 -","- C52 H120 Br8 N8 Ni8 O8 P8 -","4","0.5","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.083","","","","0.236","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112722","10.74","0.04","22.33","0.08","14.66","0.07","90","","101.5","0.1","90","","3445","2","173","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H61 Br Ni2 P4 -","- C26 H61 Br Ni2 P4 -","- C104 H244 Br4 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.104","","","","0.226","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112723","11.337","0.011","15.64","0.01","19.15","0.03","90","","92.59","0.04","90","","3392","7","173","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H59 Br Ni2 P4 -","- C26 H59 Br Ni2 P4 -","- C104 H236 Br4 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","","0.7107","MoKα","","","0.136","","","","0.415","","","","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112724","3.9546","0.0008","3.9546","0.0008","14.611","0.003","90","","90","","90","","228.5","0.08","150","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","titanium antimonide","Titanium antimonide","","- Sb Ti2 -","- Sb Ti2 -","- Sb4 Ti8 -","4","0.125","","Shahab Derakhshan; Abdeljalil Assoud; Katja M. Kleinke; Enkhtsetseg Dashjav; Xiangyun Qiu; Simon J. L. Billinge; Holger Kleinke","Planar Nets of Ti Atoms Comprising Squares and Rhombs in the New Binary Antimonide Ti2Sb","Journal of the American Chemical Society","2004","126","","8295","8302","10.1021/ja048262e","","","0.71073","MoKα","","0.0293","0.0252","","","0.057","0.0577","","","","","","1.026","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112725","8.548","0.002","10.347","0.004","14.667","0.003","96.19","0.02","102.92","0.01","110.07","0.02","1163.2","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4,4'-bis(tricyclohexylstannylmethyl)biphenyl","","- C25 H39 Sn -","- C25 H39 Sn -","- C50 H78 Sn2 -","2","1","","Hicham Elhamzaoui; Bernard Jousseaume; Hocine Riague; Thierry Toupance; Philippe Dieudonné; Cécile Zakri; Maryse Maugey; Hassan Allouchi","Self-Assembled Tin-Based Bridged Hybrid Materials","Journal of the American Chemical Society","2004","126","","8130","8131","10.1021/ja048272f","","","0.71073","MoKα","","0.1514","0.0797","","","0.1838","0.2089","","","","","","1.054","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112726","13.8","0.05","18.43","0.06","18.41","0.07","73.6","0.3","68.1","0.3","68","0.2","3972","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N3 Ni -","- C16 H14 N3 Ni -","- C192 H168 N36 Ni12 -","12","6","","Thomas J. Anderson; Gavin D. Jones; David A. Vicic","Evidence for a NiI Active Species in the Catalytic Cross-Coupling of Alkyl Electrophiles","Journal of the American Chemical Society","2004","126","","8100","8101","10.1021/ja0483903","","","0.7107","MoKα","","0.349","0.1867","","","0.2776","0.3508","","","","","","1.173","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112727","10.429","0.012","12.149","0.008","21.08","0.02","90","","99.985","0.006","90","","2630","4","173","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 I N3 Ni -","- C27 H35 I N3 Ni -","- C108 H140 I4 N12 Ni4 -","4","1","","Thomas J. Anderson; Gavin D. Jones; David A. Vicic","Evidence for a NiI Active Species in the Catalytic Cross-Coupling of Alkyl Electrophiles","Journal of the American Chemical Society","2004","126","","8100","8101","10.1021/ja0483903","","","0.7107","MoKα","","","0.04","","","","0.113","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112728","17.6581","0.0015","10.4884","0.0009","16.0575","0.0013","90","","104.633","0.002","90","","2877.5","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 B2 F8 -","- C36 H26 B2 F8.128 -","- C144 H104 B8 F32.512 -","4","1","","Huadong Wang; Charles Edwin Webster; Lisa M. Pérez; Michael B. Hall; François P. Gabbaï","Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with Fluoride: Formation of a Cation Containing a C-F\ρightarrowC Bridge","Journal of the American Chemical Society","2004","126","","8189","8196","10.1021/ja048501y","","","0.71073","MoKα","","0.087","0.0622","","","0.1456","0.1711","","","","","","1.087","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112729","10.19","0.002","10.273","0.002","14.506","0.003","110.71","0.03","104.54","0.03","95.19","0.03","1347.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 B F5 -","- C36 H26 B F5 -","- C72 H52 B2 F10 -","2","1","","Huadong Wang; Charles Edwin Webster; Lisa M. Pérez; Michael B. Hall; François P. Gabbaï","Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with Fluoride: Formation of a Cation Containing a C-F\ρightarrowC Bridge","Journal of the American Chemical Society","2004","126","","8189","8196","10.1021/ja048501y","","","0.71073","MoKα","","0.0389","0.0325","","","0.0821","0.0868","","","","","","1.032","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112730","9.938","0.003","22.373","0.006","7.4112","0.0019","90","","111.761","0.004","90","","1530.4","0.7","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TBDTA","[1,2,5]thiadiazaolo[3,4-f][1,3,2]benzodithiazol-2-yl","","- C6 H2 N3 S3 -","- C6 H2 N3 S3 -","- C48 H16 N24 S24 -","8","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0677","0.0423","","","0.0915","0.1015","","","","","","1.026","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112731","9.8847","0.0006","22.1526","0.0014","7.2905","0.0005","90","","111.549","0.001","90","","1484.83","0.17","95","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TBDTA","[1,2,5]thiadiazaolo[3,4-f][1,3,2]benzodithiazol-2-yl","","- C6 H2 N3 S3 -","- C6 H2 N3 S3 -","- C48 H16 N24 S24 -","8","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0383","0.0303","","","0.0691","0.0718","","","","","","1.06","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112732","6.9963","0.0007","7.8859","0.0007","11.4386","0.0011","110.257","0.001","95.155","0.002","103.625","0.002","565.14","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","PDTA","[1,3,2]pyrazinodithiazol-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C16 H8 N12 S8 -","4","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0486","0.0341","","","0.0879","0.0949","","","","","","1.052","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112733","6.8564","0.0008","7.8466","0.0009","11.3107","0.0013","109.965","0.002","94.944","0.002","103.483","0.002","546.95","0.11","95","2","95","2","","","","","","","","4","P -1","-P 1","2","PDTA","[1,3,2]pyrazinodithiazol-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C16 H8 N12 S8 -","4","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistabilities in 1,3,2-Dithiazolyl Radicals","Journal of the American Chemical Society","2004","126","","8256","8265","10.1021/ja048618m","","","0.71073","MoKα","","0.0527","0.0339","","","0.0801","0.0874","","","","","","1.02","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112734","11.79","0.001","17.993","0.001","19.885","0.001","90","","107.295","0.002","90","","4027.6","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C77 H94 N2 O14 P2 W4 -","- C77 H94 N2 O14 P2 W4 -","- C154 H188 N4 O28 P4 W8 -","2","1","","Malcolm H. Chisholm; Robin J. H. Clark; Judith Gallucci; Christopher M. Hadad; Nathan J. Patmore","Electronically-Coupled Tungsten-Tungsten Quadruple Bonds: Comparisons of Electron Delocalization in 3,6-Dioxypyridazine and Oxalate-Bridged Compounds","Journal of the American Chemical Society","2004","126","","8303","8313","10.1021/ja048768x","","","0.71073","MoKα","","0.0355","0.0286","","","0.0592","0.0614","","","","","","1.033","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112735","19.915","0.001","34.809","0.002","20.334","0.001","90","","109.895","0.003","90","","13254.7","1.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H88 F6 N2 O18 P W4 -","- C50 H88 F6 N2 O18 P W4 -","- C400 H704 F48 N16 O144 P8 W32 -","8","2","","Malcolm H. Chisholm; Robin J. H. Clark; Judith Gallucci; Christopher M. Hadad; Nathan J. Patmore","Electronically-Coupled Tungsten-Tungsten Quadruple Bonds: Comparisons of Electron Delocalization in 3,6-Dioxypyridazine and Oxalate-Bridged Compounds","Journal of the American Chemical Society","2004","126","","8303","8313","10.1021/ja048768x","","","0.71073","MoKα","","0.0995","0.0443","","","0.1085","0.1279","","","","","","1.019","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112736","15.0844","0.0018","11.137","0.002","27.709","0.005","90","0.003","90","0.003","90","0.003","4655","1.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cd F12 N2 O4 -","- C16 H18 Cd F12.018 N2 O4 -","- C128 H144 Cd8 F96.144 N16 O32 -","8","1","","Andrew W. Metz; John R. Ireland; Jian-Guo Zheng; Ricardo P. S. M. Lobo; Yu Yang; Jun Ni; Charlotte L. Stern; Vinayak P. Dravid; Nicole Bontemps; Carl R. Kannewurf; Kenneth R. Poeppelmeier; Tobin J. Marks","Transparent Conducting Oxides: Texture and Microstructure Effects on Charge Carrier Mobility in MOCVD-Derived CdO Thin Films Grown with A Thermally Stable, Low-Melting Precursor","Journal of the American Chemical Society","2004","126","","8477","8492","10.1021/ja039232z","","","0.71069","MoKα","","0.0659","0.0593","","","0.1248","0.1292","","","","","","1.171","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112737","9.191","0.006","17.281","0.011","16.136","0.011","90","0.01","94.47","0.01","90","0.01","2555","3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cd F12 N2 O4 -","- C18 H22 Cd F12 N2 O4 -","- C72 H88 Cd4 F48 N8 O16 -","4","1","","Andrew W. Metz; John R. Ireland; Jian-Guo Zheng; Ricardo P. S. M. Lobo; Yu Yang; Jun Ni; Charlotte L. Stern; Vinayak P. Dravid; Nicole Bontemps; Carl R. Kannewurf; Kenneth R. Poeppelmeier; Tobin J. Marks","Transparent Conducting Oxides: Texture and Microstructure Effects on Charge Carrier Mobility in MOCVD-Derived CdO Thin Films Grown with A Thermally Stable, Low-Melting Precursor","Journal of the American Chemical Society","2004","126","","8477","8492","10.1021/ja039232z","","","0.71069","MoKα","","0.0817","0.063","","","0.183","0.2069","","","","","","1.027","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112738","9.854","0.001","13.947","0.002","13.89","0.002","90","","114.56","0.01","90","","1736.2","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","David Tejedor; David González-Cruz; Fernando García-Tellado; José Juan Marrero-Tellado; Matías López Rodríguez","A Diversity-Oriented Strategy for the Construction of Tetrasubstituted Pyrroles via Coupled Domino Processes","Journal of the American Chemical Society","2004","126","","8390","8391","10.1021/ja047396p","","","0.71073","MoKα","","0.0821","0.0751","","","0.1943","0.2015","","","","","","1.014","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112739","13.976","0.001","4.109","0.0001","10.927","0.001","90","","110.118","0.007","90","","589.22","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 S3 -","- C5 H3 S3 -","- C20 H12 S12 -","4","1","","Marta Mas-Torrent; Peter Hadley; Stefan T. Bromley; Xavi Ribas; Judit Tarrés; Montserrat Mas; Elies Molins; Jaume Veciana; Concepció Rovira","Correlation between Crystal Structure and Mobility in Organic Field-Effect Transistors Based on Single Crystals of Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2004","126","","8546","8553","10.1021/ja048342i","","","0.70926","","","0.0861","0.0342","","","0.0852","0.0992","","","","","","1.052","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112740","6.379","0.003","7.835","0.009","12.3","0.01","102.53","0.06","93.15","0.06","92.89","0.06","598","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 S6 -","- C10 H8 S6 -","- C20 H16 S12 -","2","1","","Marta Mas-Torrent; Peter Hadley; Stefan T. Bromley; Xavi Ribas; Judit Tarrés; Montserrat Mas; Elies Molins; Jaume Veciana; Concepció Rovira","Correlation between Crystal Structure and Mobility in Organic Field-Effect Transistors Based on Single Crystals of Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2004","126","","8546","8553","10.1021/ja048342i","","","0.70926","","","0.0792","0.0522","","","0.1583","0.174","","","","","","1.055","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112741","12.2734","0.001","12.3288","0.001","25.6","0.002","91.116","0.001","101.014","0.001","118.295","0.001","3320.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 B N7 O S Zn -","- C36 H34 B N7 O S Zn -","- C144 H136 B4 N28 O4 S4 Zn4 -","4","2","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.0888","0.0738","","","0.1787","0.1864","","","","","","1.067","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112742","11.7126","0.0012","18.0552","0.0019","25.683","0.003","106.762","0.002","90.346","0.002","104.607","0.002","5014.2","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H36 B N7 O S Zn -","- C37 H36 B N7 O S Zn -","- C222 H216 B6 N42 O6 S6 Zn6 -","6","3","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.1102","0.0648","","","0.1177","0.1324","","","","","","1.028","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112743","26.5165","0.0015","26.5165","0.0015","27.736","0.002","90","","90","","120","","16889.1","1.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C38 H35 B N6 O2 S Zn -","- C38 H35 B N6 O2 S Zn -","- C684 H630 B18 N108 O36 S18 Zn18 -","18","1","","David T. Puerta; Jana A. Lewis; Seth M. Cohen","New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups","Journal of the American Chemical Society","2004","126","","8388","8389","10.1021/ja0485513","","","0.71073","MoKα","","0.0908","0.0665","","","0.1967","0.2107","","","","","","0.981","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112744","10.6259","0.0001","15.5533","0.0001","17.0817","0.0001","87.7054","0.0003","73.0004","0.0003","74.681","0.0003","2601.67","0.03","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 N Ni P3 S3 Se -","- C60 H48 N Ni P3 S3 Se -","- C120 H96 N2 Ni2 P6 S6 Se2 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0754","0.0459","","","0.1069","0.1375","","","","","","1.107","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112745","10.6126","0.0001","15.4981","0.0001","17.0564","0.0001","88.5126","0.0003","72.4657","0.0003","75.9386","0.0003","2591.47","0.03","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 N Ni P3 S5 -","- C58 H46 N Ni P3 S5 -","- C116 H92 N2 Ni2 P6 S10 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0843","0.0543","","","0.1379","0.1641","","","","","","1.099","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112746","10.1387","0.0005","14.0357","0.0008","19.3833","0.0011","90","","90.108","0.002","90","","2758.3","0.3","150","1","150","1","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C64 H55 N Ni O P3 S3 Se -","- C64 H55 N Ni O P3 S3 Se -","- C128 H110 N2 Ni2 O2 P6 S6 Se2 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0704","0.0526","","","0.1014","0.1168","","","","","","1.029","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112747","10.1789","0.0001","13.9338","0.0001","19.1972","0.0002","90","","91.5874","0.0003","90","","2721.71","0.04","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C62 H53 N Ni O P3 S5 -","- C62 H53 N Ni O P3 S5 -","- C124 H106 N2 Ni2 O2 P6 S10 -","2","1","","Chien-Ming Lee; Chien-Hong Chen; Shyue-Chu Ke; Gene-Hsiang Lee; Wen-Feng Liaw","Mononuclear Nickel(III) and Nickel(II) Thiolate Complexes with Intramolecular S-H Proton Interacting with Both Sulfur and Nickel: Relevance to the [NiFe]/[NiFeSe] Hydrogenases","Journal of the American Chemical Society","2004","126","","8406","8412","10.1021/ja048568l","","","0.71073","MoKα","","0.0645","0.0486","","","0.1142","0.1341","","","","","","1.096","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112748","15.054","0.004","15.617","0.004","17.04","0.005","90","","90","","90","","4006.1","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H35 Cl N Rh -","- C19 H35 Cl N Rh -","- C152 H280 Cl8 N8 Rh8 -","8","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller; Guy Bertrand","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","MoKα","","0.0397","0.0284","","","0.0676","0.0767","","","","","","1.076","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112749","15.7564","0.0006","10.855","0.0009","6.9155","0.0012","90","","90","","90","","1182.8","0.2","223","2","223","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C5.5 H11.5 N0.5 -","- C5.5 H11.5 N0.5 -","- C44 H92 N4 -","8","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","","","0.0609","0.0495","","","0.1326","0.1469","","","","","","1.04","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112750","15.367","0.002","8.8154","0.0014","12.4772","0.0019","90","","113.926","0.003","90","","1545","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O2 -","- C15 H29 N O2 -","- C60 H116 N4 O8 -","4","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","MoKα","","0.0584","0.0434","","","0.1083","0.1178","","","","","","1.043","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112751","11.1359","0.0008","14.2633","0.0011","12.4072","0.0009","90","","92.098","0.001","90","","1969.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(tert-Butyldimethylsilyl)-3-(4-methoxyphenyl)-2-phenyl-2H-azirine","","- C21 H27 N O Si -","- C21 H27 N O Si -","- C84 H108 N4 O4 Si4 -","4","1","","Kazunari Yagi; Takayuki Tsuritani; Kazuaki Takami; Hiroshi Shinokubo; Koichiro Oshima","Reaction of Silyldihalomethyllithiums with Nitriles: Formation of α-Keto Acylsilanes via Azirines and 1,3-Rearrangement of Silyl Group from C to N","Journal of the American Chemical Society","2004","126","","8618","8619","10.1021/ja047708o","","","0.71073","MoKα","","0.0691","0.0541","","","0.1581","0.1782","","","","","","0.669","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112752","16.8736","0.0009","13.7378","0.0008","17.1988","0.0009","90","","95.827","0.001","90","","3966.2","0.4","223.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C216 H160 O16 -","8","1","","Hiroyuki Wakui; Satoshi Kawasaki; Tetsuya Satoh; Masahiro Miura; Masakatsu Nomura","Palladium-Catalyzed Reaction of 2-Hydroxy-2-methylpropiophenone with Aryl Bromides: A Unique Multiple Arylation via Successive C-C and C-H Bond Cleavages","Journal of the American Chemical Society","2004","126","","8658","8659","10.1021/ja0477874","","","0.7107","MoKα","","","0.0968","","","","0.1871","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112753","9.9538","0.0013","22.3646","0.0016","14.2594","0.0013","90","","91.787","0.008","90","","3172.8","0.6","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 N2 Re S -","- C33 H43 N2 Re S -","- C132 H172 N8 Re4 S4 -","4","1","","Xiaoyan Li; Markus Schopf; Jürgen Stephan; Jennifer Kippe; Klaus Harms; Jörg Sundermeyer","Simple Synthesis of an Allenylidene Heptavalent Rhenium(d0) Complex","Journal of the American Chemical Society","2004","126","","8660","8661","10.1021/ja048030f","","","0.71073","MoKα","","0.1168","0.0493","","","0.1114","0.1321","","","","","","0.844","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112754","11.196","0.001","8.7892","0.0007","13.566","0.001","90","","108.307","0.002","90","","1267.38","0.18","285.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H28 N O4 P -","- C29 H26 N O4 P -","- C58 H52 N2 O8 P2 -","2","1","","Shigeki Matsunaga; Takamasa Yoshida; Hiroyuki Morimoto; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-β-Amino Alcohols","Journal of the American Chemical Society","2004","126","","8777","8785","10.1021/ja0482435","","","0.7107","MoKα","","","0.0386","","","","0.0893","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112755","9.4052","0.0008","10.23","0.001","23.815","0.002","90","","97.492","0.003","90","","2271.8","0.4","298.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Shigeki Matsunaga; Takamasa Yoshida; Hiroyuki Morimoto; Naoya Kumagai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Mannich-type Reaction of Hydroxyketone Using a Et2Zn/Linked-BINOL Complex: Synthesis of Either anti- or syn-β-Amino Alcohols","Journal of the American Chemical Society","2004","126","","8777","8785","10.1021/ja0482435","","","0.7107","MoKα","","","0.05","","","","0.13","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112756","15.016","0.0012","15.016","0.0011","15.016","0.0013","90","0.006","90","0.007","90","0.006","3385.8","0.5","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 O64 Zn8 -","- C16 O63.976 Zn8 -","- C32 O127.952 Zn16 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","1.5418","CuKα","","0.0248","0.0248","","","0.0652","0.0653","","","","","","1.132","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112757","15.012","0.003","15.012","0.003","15.012","0.003","90","","90","","90","","3383.1","1.2","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 Co8 O64 -","- C16 Co8 O63.796 -","- C32 Co16 O127.592 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","0.71069","MoKα","","0.0406","0.0346","","","0.0844","0.0876","","","","","","1.108","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112758","15.0971","0.0019","15.0971","0.0019","15.0971","0.0019","90","","90","","90","","3441","0.8","273","2","273","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 Fe8 O64 -","- C16 Fe8 O64.06 -","- C32 Fe16 O128.12 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","0.71073","MoKα","","0.0496","0.0432","","","0.0964","0.0987","","","","","","1.092","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112759","15.0053","0.0005","15.0053","0.0005","15.0053","0.0005","90","","90","","90","","3378.58","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C16 H72 Mg8 O64 -","- C16 Mg8 O62.62 -","- C32 Mg16 O125.24 -","2","0.0416667","","Brendan F. Abrahams; Timothy A. Hudson; Richard Robson","Highly Symmetric Networks Derived from Cubane-Related Octametallic Complexes of a New Oxyanion of Carbon, C4O74-, Each Molecule Attached to Eight Neighbors by 24 Equivalent Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","8624","8625","10.1021/ja048293+","","","1.5418","CuKα","","0.068","0.0585","","","0.1561","0.1664","","","","","","1.138","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112760","49.8735","0.0011","10.8667","0.0003","18.3822","0.0004","90","","110","","90","","9361.6","0.4","183.2","","183.2","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H46 B Cl4 F4 Ir N2 P2 -","- C47 H46 B Cl4 F4 Ir N2 P2 -","- C376 H368 B8 Cl32 F32 Ir8 N16 P16 -","8","1","","Eric Clot; Junyi Chen; Dong-Heon Lee; So Young Sung; Leah N. Appelhans; Jack W. Faller; Robert H. Crabtree; Odile Eisenstein","Double Geminal C-H Activation and Reversible α-Elimination in 2-Aminopyridine Iridium(III) Complexes: The Role of Hydrides and Solvent in Flattening the Free Energy Surface","Journal of the American Chemical Society","2004","126","","8795","8804","10.1021/ja048473j","","","0.7107","MoKα","","0.0747","0.039","","0.06","","0.05","","","1.26","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112761","19.745","0.0015","16.541","0.002","20.034","0.003","90","","91.675","0.006","90","","6540.3","1.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","C60Me5Ph5O3(OH)2","","- C104 H46 Cl1.5 O4 -","- C104 H46 Cl1.5 O4 -","- C416 H184 Cl6 O16 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.2426","0.1447","","","0.3653","0.4266","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112762","14.992","0.0017","27.547","0.002","32.73","0.0014","90","","97.044","0.005","90","","13415","1.9","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","Pd-allyl-C60Ph5Me5CN","","- C105 H50 Cl N Pd -","- C105 H50 Cl N Pd -","- C840 H400 Cl8 N8 Pd8 -","8","2","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.1801","0.1054","","","0.2705","0.324","","","","","","0.993","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112763","14.346","0.0007","14.583","0.0014","32.122","0.003","90","","90","","90","","6720.2","1","193","2","193","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","RhC60Me5CNPh3codTHF3","","- C104 H66 N O3 Rh -","- C104 H66 N O3 Rh -","- C416 H264 N4 O12 Rh4 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.0955","0.0789","","","0.1981","0.2162","","","","","","1.041","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112764","11.562","0.0004","12.244","0.0005","15.14","0.0008","74.269","0.0018","80.129","0.0015","84.017","0.004","2028.71","0.15","130","2","130","2","","","","","","","","7","P -1","-P 1","2","CpsIrdmpmCl","[Cp*Ir(dmpm)Cl][BArF4]","","- C39 H29 B Cl F20 Ir P2 -","- C39 H29 B Cl F20 Ir P2 -","- C78 H58 B2 Cl2 F40 Ir2 P4 -","2","1","","Ricard Gelabert; Miquel Moreno; José M. Lluch; Agustí Lledós; Vincent Pons; Michael D. Heinekey","Synthesis and Properties of Compressed Dihydride Complexes of Iridium: Theoretical and Spectroscopic Investigations","Journal of the American Chemical Society","2004","126","","8813","8822","10.1021/ja048775l","","","0.71073","MoKα","","0.0811","0.0545","","","0.1101","0.1191","","","","","","0.997","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112765","16.7925","0.0006","16.7925","0.0006","17.456","0.0009","90","","90","","90","","4922.4","0.4","203","","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Fe4(sap)4(MeOH)4]2H2O","","","- C44 H60 Fe4 N4 O14 -","- C11 H15 Fe N O3.5 -","- C176 H240 Fe16 N16 O56 -","16","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.04","0.0316","","","0.0847","0.0908","","","","","","1.032","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112766","17.0854","0.0018","17.0854","0.0018","18.391","0.002","90","","90","","90","","5368.5","1","203","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(5-Br-sap)4(MeOH)4]","","- C44 H56 Br4 Fe4 N4 O12 -","- C44 H52 Br4 Fe4 N4 O12 -","- C176 H208 Br16 Fe16 N16 O48 -","4","0.25","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0754","0.0612","","","0.1671","0.1763","","","","","","0.905","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112767","14.8579","0.0018","15.053","0.002","16.847","0.002","68.683","0.003","71.203","0.003","69.484","0.004","3204.5","0.7","203","","203","","","","","","","","","5","P -1","-P 1","2","","[Fe4(3-MeO-sap)4(MeOH)4]2MeOH","","- C50 H76 Fe4 N4 O18 -","- C50 H75 Fe4 N4 O18 -","- C100 H150 Fe8 N8 O36 -","2","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.1239","0.0812","","","0.253","0.2797","","","","","","0.933","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112768","13.3625","0.0007","13.7572","0.0007","14.2004","0.0007","66.538","0.001","74.973","0.001","71.105","0.001","2239.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[Fe4(sae)4(MeOH)4]","","- C40 H52 Fe4 N4 O12 -","- C40 H36 Fe4 N4 O12 -","- C80 H72 Fe8 N8 O24 -","2","1","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0477","0.0338","","","0.0898","0.0959","","","","","","1.022","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112769","14.609","0.003","16.08","0.003","21.98","0.004","80.253","0.006","87.931","0.007","86.608","0.007","5078.1","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[Fe4(5-Br-sae)4(MeOH)4]","","- C42 H56 Br4 Fe4 N4 O14 -","- C41 H44 Br4 Fe4 N4 O13 -","- C164 H176 Br16 Fe16 N16 O52 -","4","2","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.1413","0.064","","","0.1376","0.1563","","","","","","0.785","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112770","16.5583","0.0009","16.5583","0.0009","18.7408","0.0015","90","","90","","90","","5138.3","0.6","203","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(3,5-Cl2-sae)4(MeOH)4]","","- C40 H44 Cl8 Fe4 N4 O12 -","- C40 H44 Cl8 Fe4 N4 O12 -","- C160 H176 Cl32 Fe16 N16 O48 -","4","0.25","","Hiroki Oshio; Norihisa Hoshino; Tasuku Ito; Motohiro Nakano","Single-Molecule Magnets of Ferrous Cubes: Structurally Controlled Magnetic Anisotropy","Journal of the American Chemical Society","2004","126","","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0533","0.0296","","","0.0591","0.0626","","","","","","0.845","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112771","11.8023","0.0007","5.5042","0.0003","14.5073","0.0008","90","","111.572","0.001","90","","876.42","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C42 H44 O8 -","2","1","","P. Andrew Evans; Michael J. Lawler","Regio- and Diastereoselective Rhodium-Catalyzed Allylic Substitution with Acyclic α-Alkoxy-Substituted Copper(I) Enolates: Stereodivergent Approach to 2,3,6-Trisubstituted Dihydropyrans","Journal of the American Chemical Society","2004","126","","8642","8643","10.1021/ja049080n","","","0.71073","MoKα","","0.0344","0.0294","","","0.0681","0.0715","","","","","","1.049","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4112772","12.944","0.018","27.2","0.05","8.28","0.01","90","","99.4","0.1","90","","2876","8","293","","293","","","","","","","","?","8","P 1 21/n 1","-P 2yn","14","","","","- C20.75 H34 B Cl Mo N6 O2 P -","- C20.75 H34 B Cl Mo N6 O2 P -","- C83 H136 B4 Cl4 Mo4 N24 O8 P4 -","4","1","","Victor N. Nemykin; Julia Laskin; Partha Basu","Isolation, Characterization of an Intermediate in an Oxygen Atom-Transfer Reaction, and the Determination of the Bond Dissociation Energy","Journal of the American Chemical Society","2004","126","","8604","8605","10.1021/ja049121f","","","0.71073","MoKα","","0.2289","0.0578","","0.3542","0.1275","0.1275","","","","","","0.9874","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112773","29.7502","0.0004","24.2689","0.0007","20.0769","0.0007","90","0","90","0","90","0","14495.6","0.7","298","","","","","","","","","","synthesis as described","4","F d d 2","F 2 -2d","43","","","","- C133 H32 Cl2 N2 -","- C132.5 H32 Cl2 N2 -","- C1060 H256 Cl16 N16 -","8","0.5","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","","0.71073","xray","","","0.033","","","0.036","","","","","3.112","3.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112774","13.267","0.0017","21.482","0.003","16.249","0.002","90","","90.439","0.003","90","","4630.9","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H70 F12 N10 O12 Rh2 S4 -","- C84 H70 F12 N10 O12 Rh2 S4 -","- C168 H140 F24 N20 O24 Rh4 S8 -","2","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.0839","0.0758","","","0.1792","0.1846","","","","","","1.181","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112775","14.2337","0.0014","13.821","0.0015","20.4729","0.0018","90","","91.568","0.002","90","","4026","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H72 F12 N8 O16 Rh2 S4 -","- C74 H72 F12 N8 O16 Rh2 S4 -","- C148 H144 F24 N16 O32 Rh4 S8 -","2","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.1105","0.0741","","","0.1065","0.1188","","","","","","0.954","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112776","10.2661","0.0018","20.534","0.004","25.037","0.004","90","","90","","90","","5277.9","1.6","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 F6 N6 O10 Rh2 S2 -","- C46 H48 F6 N6 O10 Rh2 S2 -","- C184 H192 F24 N24 O40 Rh8 S8 -","4","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.084","0.078","","","0.1246","0.1262","","","","","","1.411","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112777","13.533","0.005","13.533","0.005","51.977","0.005","90","0.005","90","0.005","120","0.005","8244","4","100","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H9.5 Br6 F9 N Sb1.5 -","- C18 H10 Br6 F9 N Sb1.5 -","- C216 H120 Br72 F108 N12 Sb18 -","12","0.333333","","Yasujiro Murata; Fuyong Cheng; Toshikazu Kitagawa; Koichi Komatsu","Generation of Fullerenyl Cation (EtO)2P+(OH)CH2-C60+ from RC60-H and from RC60-C60R (R = CH2P(O)(OEt)2)","Journal of the American Chemical Society","2004","126","","8874","8875","10.1021/ja047483h","","","0.71069","MoKα","","0.1146","0.0675","","","0.169","0.1859","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112778","8.569","0.0014","11.644","0.002","27.952","0.005","90","","90","","90","","2789","0.8","298","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 O2 S3 -","- C12 H20 O2 S3 -","- C96 H160 O16 S24 -","8","1","","Juzo Nakayama; Satoshi Aoki; Jun Takayama; Akira Sakamoto; Yoshiaki Sugihara; Akihiko Ishii","Reversible Disulfur Monoxide (S2O)-Forming Retro-Diels-Alder Reaction. Disproportionation of S2O to Trithio-Ozone (S3) and Sulfur Dioxide (SO2) and Reactivities of S2O and S3","Journal of the American Chemical Society","2004","126","","9085","9093","10.1021/ja047729i","","","0.71073","MoKα","","0.1302","0.0742","","","0.1764","0.1951","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112779","8.002","0.0012","9.086","0.0013","11.798","0.003","69.516","0.006","83.248","0.006","67.72","0.02","743.4","0.3","298","","","","","","","","","","Local laboratory","4","P -1","-P 1","2","","","","- C12 H20 O S4 -","- C12 H20 O S4 -","- C24 H40 O2 S8 -","2","1","","Juzo Nakayama; Satoshi Aoki; Jun Takayama; Akira Sakamoto; Yoshiaki Sugihara; Akihiko Ishii","Reversible Disulfur Monoxide (S2O)-Forming Retro-Diels-Alder Reaction. Disproportionation of S2O to Trithio-Ozone (S3) and Sulfur Dioxide (SO2) and Reactivities of S2O and S3","Journal of the American Chemical Society","2004","126","","9085","9093","10.1021/ja047729i","","","0.71073","MoKα","","0.1379","0.073","","","0.1726","0.1979","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112780","15.0248","0.0009","19.0019","0.0012","13.4159","0.0008","90","","100.556","0.001","90","","3765.4","0.4","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Tp)Fe(CN)3Cu(MeOH)(CN)3Fe(Tp),2(MeOH)","","- C27 H32 B2 Cu Fe2 N18 O3 -","- C27 H32 B2 Cu Fe2 N18 O3 -","- C108 H128 B8 Cu4 Fe8 N72 O12 -","4","1","","Shi Wang; Jing-Lin Zuo; Song Gao; You Song; Hong-Cai Zhou; Yuan-Zhu Zhang; Xiao-Zeng You","The Observation of Superparamagnetic Behavior in Molecular Nanowires","Journal of the American Chemical Society","2004","126","","8900","8901","10.1021/ja0483995","","","0.71073","MoKα","","0.0597","0.0362","","","0.0796","0.0825","","","","","","1.027","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112781","5.758","0.006","19.684","0.019","8.544","0.008","90","","92.51","0.02","90","","967.5","1.6","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H30 N O6 P -","- C19 H30 N O6 P -","- C38 H60 N2 O12 P2 -","2","1","","Yingchun Li; Sarah D. Aubert; Eugene G. Maes; Frank M. Raushel","Enzymatic Resolution of Chiral Phosphinate Esters","Journal of the American Chemical Society","2004","126","","8888","8889","10.1021/ja048457m","","","1.54178","CuKα","","0.1129","0.0641","","","0.1263","0.1475","","","","","","1.078","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112782","9.415","0.003","9.858","0.003","14.708","0.004","79.67","0.03","83.31","0.03","77.89","0.03","1308.7","0.7","173","2","173","2","","","","","","","Grotjahn Lab","5","P -1","-P 1","2","Ir-2-butyne complex","","","- C22 H48 Cl Ir P2 -","- C22 H48 Cl Ir P2 -","- C44 H96 Cl2 Ir2 P4 -","2","1","","Douglas B. Grotjahn; Justin M. Hoerter; John L. Hubbard","Double C-H Activation during Functionalization of Phenyl(methyl)ketene on Iridium(I) Using Alkynes. Synthesis of 1,4-Dien-3-ones","Journal of the American Chemical Society","2004","126","","8866","8867","10.1021/ja048489+","","","0.71073","MoKα","","0.0398","0.0371","","0.096","0.0936","","","","1.079","1.087","1.087","","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112783","10.028","0.001","15.732","0.002","21.362","0.002","90","","98.54","0.01","90","","3332.7","0.6","173","2","173","2","","","","","","","Grotjahn Lab","6","P 1 21/n 1","-P 2yn","14","Ir-metallacycle complex","","","- C31 H56 Cl Ir O P2 -","- C31 H48 Cl Ir O P2 -","- C124 H192 Cl4 Ir4 O4 P8 -","4","1","","Douglas B. Grotjahn; Justin M. Hoerter; John L. Hubbard","Double C-H Activation during Functionalization of Phenyl(methyl)ketene on Iridium(I) Using Alkynes. Synthesis of 1,4-Dien-3-ones","Journal of the American Chemical Society","2004","126","","8866","8867","10.1021/ja048489+","","","0.71073","MoKα","","0.0736","0.0417","","0.219","","0.0975","","","1.076","","","1.049","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112784","9.3478","0.0002","15.9535","0.0003","24.4659","0.0004","90","","92.41","0.001","90","","3645.38","0.12","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Cl H64 K5 Mo12 O57 P2 S12 -","- Cl K5 Mo12 O54 P2 S12 -","- Cl2 K10 Mo24 O108 P4 S24 -","2","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.0958","0.0503","","","0.1082","0.127","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112785","11.1863","0.0002","26.3305","0.0003","29.6214","0.0002","90","","90","","90","","8724.71","0.19","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- H63 K6 Mo12 O60 P3 S12 -","- K6 Mo12 O60 P3 S12 -","- K24 Mo48 O240 P12 S48 -","4","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.0562","0.0465","","","0.1269","0.1355","","","","","","1.078","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112786","23.2344","0.0002","23.2344","0.0002","20.7222","0.0003","90","","90","","120","","9687.89","0.18","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H47 Mo10 O47.5 P3 Rb3 S10 -","- Mo10 O45.38 P3 Rb3.00333 S10 -","- Mo60 O272.28 P18 Rb18.02 S60 -","6","0.5","","Emmanuel Cadot; Marie-José Pouet; Chantal Robert-Labarre; Charlotte du Peloux; Jérôme Marrot; Francis Sécheresse","Polyphosphate Ions Encapsulated in Oxothiomolybdate Rings: Synthesis, Structure, and Behavior in Solution","Journal of the American Chemical Society","2004","126","","9127","9134","10.1021/ja048746a","","","0.71073","MoKα","","0.058","0.039","","","0.1092","0.1263","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112787","11.371","0.001","19.975","0.002","19.02","0.002","90","","94.196","0.002","90","","4308.5","0.7","100","1","100","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H69 N2 O Sc Si2 -","- C43 H69 N2 O Sc Si2 -","- C172 H276 N8 O4 Sc4 Si8 -","4","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0953","0.0501","","","0.1042","0.1211","","","","","","1.025","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112788","10.8089","0.0004","11.8553","0.0005","21.0218","0.0008","80.687","0.001","86.364","0.001","69.376","0.001","2487.86","0.17","110","","110","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C47 H77 N2 Nd O2 Si2 -","- C47 H77 N2 Nd O2 Si2 -","- C94 H154 N4 Nd2 O4 Si4 -","2","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0253","0.0232","","","0.0562","0.0571","","","","","","1.056","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112789","12.8558","0.0005","13.208","0.0006","21.6302","0.0009","93.949","0.001","97.099","0.001","112.746","0.001","3333.8","0.2","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C74 H100 B N2 O3 Sc Si -","- C74 H100 B N2 O3 Sc Si -","- C148 H200 B2 N4 O6 Sc2 Si2 -","2","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0605","0.0522","","","0.1428","0.1483","","","","","","1.055","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112790","13.3902","0.0006","22.711","0.001","25.732","0.001","75.174","0.001","85.179","0.001","74.6","0.001","7292","0.5","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C159 H218 B2 N4 O6.5 Si2 Y2 -","- C154 H208 B2 N4 O6 Si2 Y2 -","- C308 H416 B4 N8 O12 Si4 Y4 -","2","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.1791","0.0807","","","0.1702","0.199","","","","","","0.902","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112791","51.22","0.003","14.0298","0.0009","24.128","0.002","90","","117.101","0.001","90","","15434.8","1.9","100","1","100","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H120 B La N2 O5.5 Si -","- C84 H120 B La N2 O5.5 Si -","- C672 H960 B8 La8 N16 O44 Si8 -","8","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.1068","0.0491","","","0.1","0.1178","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112792","51.138","0.002","14.0381","0.0006","24.194","0.001","90","","117.373","0.001","90","","15423.7","1.1","100","1","100","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H120 B N2 Nd O Si -","- C84 H120 B N2 Nd O5.5 Si -","- C672 H960 B8 N16 Nd8 O44 Si8 -","8","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.0576","0.0414","","","0.1002","0.1075","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112793","21.267","0.002","11.7644","0.0009","27.388","0.002","90","","92.317","0.001","90","","6846.7","1","100","1","100","1","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H102 B Gd N2 O4 Si -","- C75 H102 B Gd N2 O4 Si -","- C300 H408 B4 Gd4 N8 O16 Si4 -","4","1","","Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen","One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals","Journal of the American Chemical Society","2004","126","","9182","9183","10.1021/ja0475297","","","0.71073","MoKα","","0.1317","0.0556","","","0.11","0.1346","","","","","","0.982","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112794","13.044","0.002","15.333","0.002","20.86","0.003","79.487","0.004","83.767","0.003","74.999","0.003","3954","1","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H59 Cl6 F6 Mn4 N12 O24 S2 -","- C57 H59 Cl6 F6 Mn4 N12 O24 S2 -","- C114 H118 Cl12 F12 Mn8 N24 O48 S4 -","2","1","","Sumitra Mukhopadhyay; Henry J. Mok; Richard J. Staples; William H. Armstrong","Shape-Shifting Tetranuclear Oxo-Bridged Manganese Cluster: Relevance to Photosystem II Water Oxidase Active Site","Journal of the American Chemical Society","2004","126","","9202","9204","10.1021/ja0475508","","","0.71073","MoKα","","0.1895","0.0993","","","0.2243","0.2685","","","","","","0.996","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112795","12.4977","0.0007","12.4868","0.0005","19.579","0.001","90","","102.338","0.001","90","","2984.9","0.3","150.2","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 B Br2 F12 Fe2 -","- C30 H20 B0.5 Br2 F12 Fe2 -","- C120 H80 B2 Br8 F48 Fe8 -","4","1","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.7107","MoKα","","","0.0581","","","","0.1663","","","","","","1.609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112796","10.1333","0.0003","13.052","0.0003","16.0867","0.0006","97.6408","0.0008","95.5324","0.0008","94.054","0.001","2091.38","0.11","150.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H54 B Fe4 -","- C53 H54 B Fe4 -","- C106 H108 B2 Fe8 -","2","1","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.7107","MoKα","","","0.0751","","","","0.2978","","","","","","1.147","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112797","12.1054","0.0006","14.1386","0.0007","21.071","0.0011","90","","92.868","0.003","90","","3601.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","cluster[7](PF6)2","","","- C34 H37.5 F12 Fe4 N1.5 P2 -","- C34 H34.5 F12 Fe4 N1.5 P2 -","- C136 H138 F48 Fe16 N6 P8 -","4","2","","Masato Takano; Masaaki Okazaki; Hiromi Tobita","Stepwise Bromination of Two Acetylene Molecules on a Butterfly-Type Tetrairon Core and Reactivity of the Resulting Bromoacetylene Fragment toward Nucleophiles","Journal of the American Chemical Society","2004","126","","9190","9191","10.1021/ja047569a","","","0.71069","MoKα","","0.0763","0.0634","","","0.1605","0.173","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112798","10.9644","0.0011","11.2922","0.0011","17.6367","0.0018","96.933","0.005","101.342","0.005","113.218","0.005","1919.4","0.3","190","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","1","0.5","","Giannis S. Papaefstathiou; Zhenming Zhong; Lei Geng; Leonard R. MacGillivray","Coordination-Driven Self-Assembly Directs a Single-Crystal-to-Single-Crystal Transformation that Exhibits Photocontrolled Fluorescence","Journal of the American Chemical Society","2004","126","","9158","9159","10.1021/ja047819n","","","0.71069","MoKα","","","0.0443","","","","0.1149","","","","","","1.021","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112799","10.7509","0.0011","10.9233","0.0011","18.558","0.002","97.531","0.005","101.758","0.005","110.933","0.005","1942.7","0.4","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","- C70 H76 Cl4 N12 O24 Zn4 -","1","0.5","","Giannis S. Papaefstathiou; Zhenming Zhong; Lei Geng; Leonard R. MacGillivray","Coordination-Driven Self-Assembly Directs a Single-Crystal-to-Single-Crystal Transformation that Exhibits Photocontrolled Fluorescence","Journal of the American Chemical Society","2004","126","","9158","9159","10.1021/ja047819n","","","0.71069","MoKα","","","0.0459","","","","0.1592","","","","","","1.041","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112800","16.419","0.0007","8.6648","0.0003","16.2655","0.0007","90","","100.458","0.004","90","","2275.61","0.16","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 Co O4 -","- C24 H35 Co O4 -","- C96 H140 Co4 O16 -","4","1","","Trevor L. Dzwiniel; Jeffrey M. Stryker","Cobalt-Mediated Two-Carbon Ring Expansion of Five-Membered Rings. Electrophilic Carbon-Carbon Bond Activation in the Synthesis of Seven-Membered Rings","Journal of the American Chemical Society","2004","126","","9184","9185","10.1021/ja047852+","","","1.54178","CuKα","","0.0596","0.0467","","","0.1089","0.1152","","","","","","1.042","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112801","10.0706","0.0015","11.0942","0.0019","13.396","0.002","92.638","0.013","96.004","0.012","95.3","0.013","1479.8","0.4","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H39 B Cl3 Co F4 Si2 -","- C23 H39 B Cl3 Co F4 Si2 -","- C46 H78 B2 Cl6 Co2 F8 Si4 -","2","1","","Trevor L. Dzwiniel; Jeffrey M. Stryker","Cobalt-Mediated Two-Carbon Ring Expansion of Five-Membered Rings. Electrophilic Carbon-Carbon Bond Activation in the Synthesis of Seven-Membered Rings","Journal of the American Chemical Society","2004","126","","9184","9185","10.1021/ja047852+","","","0.71073","MoKα","","0.1392","0.0695","","","0.1071","0.1296","","","","","","1.016","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112802","5.2013","0.0005","16.6336","0.0015","20.8923","0.0018","90","","90","","90","","1807.5","0.3","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Andrew P. Bassett; Steven W. Magennis; Peter B. Glover; David J. Lewis; Neil Spencer; Simon Parsons; René M. Williams; Luisa De Cola; Zoe Pikramenou","Highly Luminescent, Triple- and Quadruple-Stranded, Dinuclear Eu, Nd, and Sm(III) Lanthanide Complexes Based on Bis-Diketonate Ligands","Journal of the American Chemical Society","2004","126","","9413","9424","10.1021/ja048022z","","","0.6875","","","0.1018","0.0793","","","0.2061","0.2499","","","","","","1.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112803","11.042","0.002","11.956","0.002","13.723","0.003","92.36","0.03","105.63","0.03","101.76","0.03","1699.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H35 Eu F6 N8 O13 S2 -","- C23 H33 Eu F6 N8 O13 S2 -","- C46 H66 Eu2 F12 N16 O26 S4 -","2","1","","Mark Woods; Garry E. Kiefer; Simon Bott; Aminta Castillo-Muzquiz; Carrie Eshelbrenner; Lydie Michaudet; Kenneth McMillan; Siva D. K. Mudigunda; Doug Ogrin; Gyula Tircsó; Shanrong Zhang; Piyu Zhao; A. Dean Sherry","Synthesis, Relaxometric and Photophysical Properties of a New pH-Responsive MRI Contrast Agent: The Effect of Other Ligating Groups on Dissociation of a p-Nitrophenolic Pendant Arm","Journal of the American Chemical Society","2004","126","","9248","9256","10.1021/ja048299z","","","0.71073","MoKα","","0.0828","0.0822","","0.2168","0.2141","","","","1.014","1.027","1.027","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112804","10.557","0.002","13.439","0.002","9.79","0.001","98.883","0.01","100.65","0.01","99.14","0.01","1323.3","0.4","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","2","","Kana M. Sureshan; Tomohiro Murakami; Tomomi Miyasou; Yutaka Watanabe","Topochemical Transketalization Reaction Driven by Hydrogen Bonding","Journal of the American Chemical Society","2004","126","","9174","9175","10.1021/ja0483847","","","1.5418","CuKa","","","0.0427","","","","0.127","","","","","","1.627","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112805","38.6193","0.001","15.8553","0.0004","11.3176","0.0004","90","","90","","90","","6930","0.4","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C309 H354 Ir4 N12 O27 -","- C309 H354 Ir4 N12 O27 -","- C309 H354 Ir4 N12 O27 -","1","0.25","","Christine Schaffner-Hamann; Alexander von Zelewsky; Andrea Barbieri; Francesco Barigelletti; Gilles Muller; James P. Riehl; Antonia Neels","Diastereoselective Formation of Chiral Tris-Cyclometalated Iridium (III) Complexes: Characterization and Photophysical Properties","Journal of the American Chemical Society","2004","126","","9339","9348","10.1021/ja048655d","","","0.71073","MoKα","","0.0482","0.0449","","","0.1202","0.1229","","","","","","1.042","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112806","12.3304","0.0017","12.3304","0.0017","9.9206","0.0016","90","","90","","120","","1306.2","0.3","123","2","123","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","clathrate hydrate of adamantane and methane","","- C14.5 H102 O34 -","- C15.916 H100.424 O34 -","- C15.916 H100.424 O34 -","1","0.0416667","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0641","0.0438","","","0.0949","0.1121","","","","","","1.11","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112807","17.175","0.003","17.175","0.003","17.175","0.003","90","","90","","90","","5066.3","1.5","123","2","123","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Propane hydrate","clathrate hydrate of propane","","- C24 H336 O136 -","- C25.6 H320 O136 -","- C25.6 H320 O136 -","1","0.00520833","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0575","0.0465","","","0.0935","0.0985","","","","","","1.159","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112808","17.1925","0.001","17.1925","0.001","17.1925","0.001","90","","90","","90","","5081.8","0.5","163","2","163","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","clathrate hydrate of propane, methane and ethanole","","- C38.9 H395.6 O136 -","- C55.6 H336 O136 -","- C55.6 H336 O136 -","1","0.00520833","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0394","0.0362","","","0.0889","0.0931","","","","","","1.074","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112809","11.877","0.003","11.877","0.003","11.877","0.003","90","","90","","90","","1675.4","0.7","123","2","123","2","","","","","","","Synthetic","3","P m -3 n","-P 4n 2 3","223","Methane hydrate","clathrate hydrate of methane","Methane-hydrate","- C8 H124 O46 -","- C8 H123.92 O46 -","- C8 H123.92 O46 -","1","0.0208333","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0682","0.0379","","","0.0759","0.0887","","","","","","1.094","","","","has coordinates,has disorder","282068","2023-03-26","10:12:40",""
"4112810","11.895","0.003","11.895","0.003","11.895","0.003","90","","90","","90","","1683","0.7","143","2","143","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Ethine hydrate","clathrate hydrate of ethine","","- C14.2 H60.2 O46 -","- C16.056 H92 O46 -","- C16.056 H92 O46 -","1","0.0208333","","Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman","Gas Hydrate Single-Crystal Structure Analyses","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","0.71073","MoKα","","0.0984","0.0388","","","0.0886","0.1418","","","","","","1.269","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112811","35.02","0.002","16.6352","0.0006","19.7332","0.0012","90","","119.852","0.004","90","","9970.5","1","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 Cl10 Cu4 N8 O -","- C32 H60 Cl10 Cu4 N8 O -","- C256 H480 Cl80 Cu32 N64 O8 -","8","1","","Hongjian Sun; Klaus Harms; Joerg Sundermeyer","Aerobic Oxidation of 2,3,6-Trimethylphenol to Trimethyl-1,4-benzoquinone with Copper(II) Chloride as Catalyst in Ionic Liquid and Structure of the Active Species","Journal of the American Chemical Society","2004","126","","9550","9551","10.1021/ja0391964","","","0.71073","MoKα","","0.0862","0.0695","","","0.1317","0.1359","","","","","","1.245","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112812","21.702","0.001","11.47","0.001","18.301","0.0009","90","","94.783","0.005","90","","4539.7","0.5","150","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetrakis[di-tert-butyl(methyl)silyl] disilene","","- C36 H84 Si6 -","- C36 H84 Si6 -","- C144 H336 Si24 -","4","1","","Akira Sekiguchi; Shigeyoshi Inoue; Masaaki Ichinohe; Yoriko Arai","Isolable Anion Radical of Blue Disilene (tBu2MeSi)2SiSi(SiMetBu2)2 Formed upon One-Electron Reduction: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","9626","9629","10.1021/ja040079y","","","0.7107","MoKα","","0.1673","0.0877","","","0.2077","0.256","","","","","","1.02","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112813","12.072","0.0003","21.567","0.001","24.25","0.0011","90","","90","","90","","6313.7","0.4","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetrakis(tetrahydrofuran)lithium(I) 1,1,4,4-tetra-tert-butyl -2,3-Tetrakis[di-tert-butyl(methyl)silyl]-1,4-dimethyltetrasilane-2-yl-3-ide","","- C52 H116 Li O4 Si6 -","- C52 H116 Li O4 Si6 -","- C208 H464 Li4 O16 Si24 -","4","1","","Akira Sekiguchi; Shigeyoshi Inoue; Masaaki Ichinohe; Yoriko Arai","Isolable Anion Radical of Blue Disilene (tBu2MeSi)2SiSi(SiMetBu2)2 Formed upon One-Electron Reduction: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","9626","9629","10.1021/ja040079y","","","0.7107","MoKα","","0.0671","0.0526","","","0.1388","0.1514","","","","","","1.027","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112814","10.5289","0.0006","9.9479","0.0006","22.5331","0.0014","90","","94.838","0.001","90","","2351.7","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 F10 N2 O2 W2 -","- C46 H56 F10 N2 O2 W2 -","- C92 H112 F20 N4 O4 W4 -","2","0.5","","Lourdes Pia H. Lopez; Richard R. Schrock","Formation of Dimers That Contain Unbridged W(IV)/W(IV) Double Bonds","Journal of the American Chemical Society","2004","126","","9526","9527","10.1021/ja0400988","","","0.71073","MoKα","","0.0335","0.0295","","","0.0762","0.0779","","","","","","1.039","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112815","15.499","0.003","19.415","0.004","33.223","0.007","85.07","0.03","83.43","0.03","73.24","0.03","9495","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H44 O9 P4 Rh6 -","- C119 H44 O9 P4 Rh6 -","- C476 H176 O36 P16 Rh24 -","4","2","","Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park","Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex","Journal of the American Chemical Society","2004","126","","9837","9844","10.1021/ja047290u","","","0.71073","MoKα","","0.2764","0.1036","","","0.2154","0.2965","","","","","","0.941","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112816","14.6778","0.0003","20.0354","0.0004","20.3356","0.0004","95.625","0.001","96.939","0.001","111.31","0.001","5465","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H58 N2 O7 P4 Rh6 -","- C133 H58 N2 O7 P4 Rh6 -","- C266 H116 N4 O14 P8 Rh12 -","2","1","","Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park","Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex","Journal of the American Chemical Society","2004","126","","9837","9844","10.1021/ja047290u","","","0.71073","MoKα","","0.1643","0.1022","","","0.2858","0.3354","","","","","","1.045","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112817","17.59","0.03","23.98","0.05","31.9","0.06","90","","96.75","0.04","90","","13362","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C191 H55 Cl2 N O7 P4 Rh6 S4 -","- C191 H55 Cl2 N O7 P4 Rh6 S4 -","- C764 H220 Cl8 N4 O28 P16 Rh24 S16 -","4","1","","Kwangyeol Lee; Yoon Jeong Choi; Youn-Jaung Cho; Chang Yeon Lee; Hyunjoon Song; Chang Hoon Lee; Yoon Sup Lee; Joon T. Park","Strong Interfullerene Electronic Communication in a Bisfullerene-Hexarhodium Sandwich Complex","Journal of the American Chemical Society","2004","126","","9837","9844","10.1021/ja047290u","","","0.71073","MoKα","","0.1741","0.0957","","","0.2768","0.3187","","","","","","0.989","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112818","14.6527","0.0007","41.0065","0.0019","7.483","0.0003","90","","90.008","0.001","90","","4496.2","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 O Si -","- C25 H34 O Si -","- C200 H272 O8 Si8 -","8","2","","Timothy B. Clark; K. A. Woerpel","Formation and Utility of Oxasilacyclopentenes Derived from Functionalized Alkynes","Journal of the American Chemical Society","2004","126","","9522","9523","10.1021/ja047498f","","","0.71073","MoKα","","0.1304","0.0713","","","0.1695","0.2072","","","","","","1.029","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112819","9.034","0.002","14.237","0.004","16.346","0.004","73.068","0.004","89.726","0.005","73.451","0.004","1920.9","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H59 N O4 Si2 -","- C40 H59 N O4 Si2 -","- C80 H118 N2 O8 Si4 -","2","1","","Timothy B. Clark; K. A. Woerpel","Formation and Utility of Oxasilacyclopentenes Derived from Functionalized Alkynes","Journal of the American Chemical Society","2004","126","","9522","9523","10.1021/ja047498f","","","0.71073","MoKα","","0.0749","0.0487","","","0.1175","0.1324","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112820","12.3496","0.0006","26.2644","0.0015","16.0109","0.0007","90","","104.051","0.004","90","","5037.8","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H78 Al N3 -","- C59 H78 Al N3 -","- C236 H312 Al4 N12 -","4","1","","Hongping Zhu; Jianfang Chai; Vadapalli Chandrasekhar; Herbert W. Roesky; Jörg Magull; Denis Vidovic; Hans-Georg Schmidt; Mathias Noltemeyer; Philip P. Power; William A. Merrill","Two Types of Intramolecular Addition of an Al-N Multiple-Bonded Monomer LAlNAr' Arising from the Reaction of LAl with N3Ar' (L = HC[(CMe)(NAr)]2, Ar' = 2,6-Ar2C6H3, Ar = 2,6-iPr2C6H3)","Journal of the American Chemical Society","2004","126","","9472","9473","10.1021/ja0475712","","","0.71073","MoKα","","0.1059","0.0633","","","0.136","0.1551","","","","","","1.011","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112821","11.806","0.008","12.766","0.005","19.718","0.008","76.04","0.03","74.54","0.04","64.63","0.04","2560","2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H78 Al N3 -","- C59 H78 Al N3 -","- C118 H156 Al2 N6 -","2","1","","Hongping Zhu; Jianfang Chai; Vadapalli Chandrasekhar; Herbert W. Roesky; Jörg Magull; Denis Vidovic; Hans-Georg Schmidt; Mathias Noltemeyer; Philip P. Power; William A. Merrill","Two Types of Intramolecular Addition of an Al-N Multiple-Bonded Monomer LAlNAr' Arising from the Reaction of LAl with N3Ar' (L = HC[(CMe)(NAr)]2, Ar' = 2,6-Ar2C6H3, Ar = 2,6-iPr2C6H3)","Journal of the American Chemical Society","2004","126","","9472","9473","10.1021/ja0475712","","","0.71073","MoKα","","0.0751","0.0595","","","0.1415","0.1496","","","","","","1.039","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112822","6.1543","0.0007","10.914","0.001","14.747","0.002","90","","100.599","0.002","90","","973.63","0.19","143.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H35 O5 -","- C21 H30 O5 -","- C42 H60 O10 -","2","1","","Guangxin Liang; Dirk Trauner","Enantioselective Nazarov Reactions through Catalytic Asymmetric Proton Transfer","Journal of the American Chemical Society","2004","126","","9544","9545","10.1021/ja0476664","","","0.7107","MoKα","","","0.0496","","","","0.0602","","","","","","2.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112823","4.709","0.002","7.55","0.003","18.96","0.01","90","","95.98","0.03","90","","670.4","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N5 O6 -","- C11 H15 N5 O6 -","- C22 H30 N10 O12 -","2","1","","Caroline Crey-Desbiolles; Jean Lhomme; Pascal Dumy; Mitsuharu Kotera","3-Nitro-3-deaza-2'-deoxyadenosine as a Versatile Photocleavable 2'-Deoxyadenosine Mimic","Journal of the American Chemical Society","2004","126","","9532","9533","10.1021/ja047976m","","","0.71073","MoKα","","0.0677","0.0677","","0.0338","","0.0338","","","1.965","","","1.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112824","8.786","0.0003","12.028","0.0004","11.204","0.0004","90","","92.372","0.002","90","","1183","0.07","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O S2 -","- C10 H18 O S2 -","- C40 H72 O4 S8 -","4","1","","Kentaro Okuma; Toshiyuki Shigetomi; Yoshinori Nibu; Kosei Shioji; Masato Yoshida; Yoshinobu Yokomori","Synthesis of Isolable Thiirane-2-thione (α-Dithiolactone) from Thioketene S-Oxide","Journal of the American Chemical Society","2004","126","","9508","9509","10.1021/ja0480320","","","1.54184","CuKα","","0.0683","0.0642","","","0.1981","0.2069","","","","","","1.068","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4112825","14.6338","0.0009","12.7462","0.0008","31.6081","0.0019","90","","98.775","0.001","90","","5826.7","0.6","193","2","193","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C53 H50 Ag Au3 B2 Cl2 F8 N3 O3 P3 -","- C53 H42 Ag Au3 B2 Cl2 F8 N3 O3 P3 -","- C212 H168 Ag4 Au12 B8 Cl8 F32 N12 O12 P12 -","4","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0501","0.035","","","0.0853","0.0896","","","","","","1.058","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112826","13.5222","0.0006","22.7307","0.0011","18.1594","0.0009","90","","105.379","0.001","90","","5381.8","0.4","193","2","293","2","","","","","","","","10","P 1 2/c 1","-P 2yc","13","","","","- C51 H44 Ag Au3 B2 F8 N3 O P3 S -","- C51 H42 Ag Au3 B2 F8 N3 O2 P3 S -","- C204 H168 Ag4 Au12 B8 F32 N12 O8 P12 S4 -","4","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0494","0.0356","","","0.0897","0.0946","","","","","","1.036","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112827","13.6315","0.0011","22.7608","0.0019","18.331","0.0015","90","","105.227","0.002","90","","5487.8","0.8","193","2","193","2","","","","","","","","10","P 1 2/c 1","-P 2yc","13","","","","- C52 H47 Ag Au3 B2 F8 N3 O1.5 P3 Se -","- C52 H42 Ag Au3 B2 F8 N3 O1.5 P3 Se -","- C208 H168 Ag4 Au12 B8 F32 N12 O6 P12 Se4 -","4","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0448","0.0336","","","0.0887","0.0932","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112828","14.0698","0.0008","14.7704","0.0008","16.5322","0.0009","104.879","0.001","97.911","0.001","115.288","0.001","2879.5","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H51 Ag Au3 B2 F8 N4 P3 S -","- C56 H51 Ag Au3 B2 F8 N4 P3 S -","- C112 H102 Ag2 Au6 B4 F16 N8 P6 S2 -","2","1","","Quan-Ming Wang; Young-A. Lee; Olga Crespo; Joseph Deaton; Ching Tang; Henry J. Gysling; M. Concepción Gimeno; Carmen Larraz; M. Dolores Villacampa; Antonio Laguna; Richard Eisenberg","Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable Structural Features","Journal of the American Chemical Society","2004","126","","9488","9489","10.1021/ja048091d","","","0.71073","MoKα","","0.0335","0.0287","","","0.0696","0.0714","","","","","","1.011","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112829","8.4457","0.0017","8.5608","0.0017","10.075","0.002","90","","90","","90","","728.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","1","","Greg Springsteen; Gerald F. Joyce","Selective Derivatization and Sequestration of Ribose from a Prebiotic Mix","Journal of the American Chemical Society","2004","126","","9578","9583","10.1021/ja0483692","","","0.71073","MoKα","","0.0284","0.0281","","","0.0728","0.0731","","","","","","1.062","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112830","9.778","0.002","14.647","0.004","7.0557","0.0006","90","","90","","90","","1010.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(pyridine-3-carbonyl)thiazolidin-2-thione","","- C9 H8 N2 O S2 -","- C9 H8 N2 O S2 -","- C36 H32 N8 O4 S8 -","4","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0493","0.0447","","0.1348","0.1306","","","","0.803","0.8","0.8","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112831","8.132","0.003","7.399","0.002","14.431","0.003","90","","101.49","0.02","90","","850.9","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","1-Benzyl-3-(2-thioxothiazolidine-3-carbonyl)pyridinium bromide","","- C16 H15 Br N2 O S2 -","- C16 H15 Br N2 O S2 -","- C32 H30 Br2 N4 O2 S4 -","2","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0239","0.0235","","0.0888","0.084","","","","1.476","1.45","1.45","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112832","12.5019","0.0009","24.5155","0.0012","5.6418","0.0005","90","","89.993","0.007","90","","1729.2","0.2","293","2","293","2","","","","","","","122.5-123.2","4","P 1 21 1","P 2yb","4","","3-(Pyridine-3-carbonyl)oxazolidin-2-one","","- C9 H8 N2 O3 -","- C9 H8 N2 O3 -","- C72 H64 N16 O24 -","8","4","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0413","0.0314","","0.1041","0.0893","","","","1.113","1.144","1.144","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112833","13.312","0.003","9.675","0.003","14.273","0.003","90","","94.679","0.015","90","","1832.1","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Benzyl-3-(2-oxo-oxazolidine-3-carbonyl)pyridinium bromide","","- C16 H15 Br N2 O3 -","- C16 H15 Br N2 O3 -","- C64 H60 Br4 N8 O12 -","4","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0905","0.0787","","0.2483","0.2174","","","","1.366","1.365","1.365","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112834","12.156","0.002","18.891","0.003","17.584","0.003","90","","90","","90","","4038","1.2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H18 N5 Ni O7 -","- C17 H12 N5 Ni O7 -","- C136 H96 N40 Ni8 O56 -","8","0.5","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","1.5418","CuKα","","0.1728","0.0848","","0.2435","0.2028","","","","0.945","1.252","1.252","","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112835","11.883","0.001","19.049","0.001","17.415","0.001","90","","90","","90","","3942","0.5","375","2","375","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C15 H12 N5 Ni O6 -","- C15 H12 N5 Ni O6 -","- C120 H96 N40 Ni8 O48 -","8","0.5","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","0.71073","MoKα","","0.0819","0.0676","","0.221","0.2085","","","","1.105","1.211","1.211","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112836","11.2657","0.0018","20.517","0.004","34.413","0.007","90","","90","","90","","7954","3","193","2","193","1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H24 N10 Ni2 O12 -","- C30 H24 N10 Ni2 O12 -","- C240 H192 N80 Ni16 O96 -","8","0.25","","Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas","Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics","Journal of the American Chemical Society","2004","126","","9750","9759","10.1021/ja0490267","","","0.71073","MoKα","","0.1359","0.0704","","","0.1972","0.2208","","","","","","0.9","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112837","12.3635","0.0015","23.491","0.003","23.867","0.003","90","","99.908","0.002","90","","6828.3","1.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","none","","","- C33 H42 Cl2 F36 Ir2 N6 O12 P6 -","- C33 H42 Cl2 F36 Ir2 N6 O12 P6 -","- C132 H168 Cl8 F144 Ir8 N24 O48 P24 -","4","1","","Thomas G. Gray; Adam S. Veige; Daniel G. Nocera","Cooperative Bimetallic Reactivity: Hydrogen Activation in Two-Electron Mixed-Valence Compounds","Journal of the American Chemical Society","2004","126","","9760","9768","10.1021/ja0491432","","","0.71073","MoKα","","0.1008","0.0919","","","0.2049","0.2091","","","","","","1.284","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112838","7.9721","0.0009","9.24","0.0011","11.3859","0.0013","109.621","0.002","94.117","0.002","101.647","0.002","764.84","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C32 H40 O6 S2 -","2","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.0944","0.051","","","0.1042","0.1208","","","","","","0.908","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112839","17.931","0.004","8.4053","0.0016","10.938","0.002","90","","94.494","0.003","90","","1643.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O4 S -","- C16 H21.7 O4 S -","- C64 H86.8 O16 S4 -","4","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.1009","0.0613","","","0.152","0.1734","","","","","","0.976","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112840","11.3404","0.0019","10.0567","0.0017","12.77","0.002","90","","115.267","0.003","90","","1317","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl O3 S -","- C12 H11 Cl O3 S -","- C48 H44 Cl4 O12 S4 -","4","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.126","0.0494","","","0.0755","0.0895","","","","","","0.722","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112841","7.6277","0.0007","9.1238","0.0009","9.5937","0.0009","82.377","0.002","68.451","0.002","75.268","0.002","600.01","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Cl O3 S -","- C12 H11 Cl O3 S -","- C24 H22 Cl2 O6 S2 -","2","1","","Shengming Ma; Lianghua Lu; Junliang Zhang","Catalytic Regioselectivity Control in Ring-Opening Cycloisomerization of Methylene- or Alkylidenecyclopropyl Ketones","Journal of the American Chemical Society","2004","126","","9645","9660","10.1021/ja0494860","","","0.71073","MoKα","","0.0454","0.0422","","","0.1114","0.114","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112842","13.5924","0.0011","24.6866","0.0019","12.543","0.0011","100.987","0.007","107.008","0.006","81.744","0.007","3933.6","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H103 N6 P4 Si8 Zr2 -","- C67 H103 N6 P4 Si8 Zr2 -","- C134 H206 N12 P8 Si16 Zr4 -","2","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.1174","0.0351","","","0.0857","0.1017","","","","","","0.972","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112843","12.5329","0.0007","13.3989","0.0005","25.9965","0.0018","91.876","0.002","103.279","0.001","107.544","0.002","4026.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H107 N6 P4 Si8 Zr2 -","- C69 H106.008 N6 P4 Si8 Zr2 -","- C138 H212.016 N12 P8 Si16 Zr4 -","2","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.0743","0.0552","","","0.128","0.1364","","","","","","1.116","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112844","27.261","0.001","12.783","0.0004","28.343","0.001","90","","108.92","0.002","90","","9343.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C86 H128 N6 P4 Si8 Zr2 -","- C86 H128 N6 P4 Si8 Zr2 -","- C344 H512 N24 P16 Si32 Zr8 -","4","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.1087","0.0503","","","0.0888","0.1025","","","","","","0.877","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112845","32.965","0.003","8.034","","16.39","0.002","90","","90.701","0.003","90","","4340.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O5 S2 -","- C23 H24 O5 S2 -","- C184 H192 O40 S16 -","8","1","","Sang Ick Lee; Ji Hoon Park; Young Keun Chung; Sueg-Geun Lee","Rhodium-Catalyzed Carbonylative [3+2+1] Cycloaddition Reaction: Catalytic Formation of Bicyclic Cyclohexenones from Trienes and Carbon Monoxide [J. Am. Chem. Soc. 2004, 126, 2714-2715].","Journal of the American Chemical Society","2004","126","","10190","10190","10.1021/ja040813d","","","0.71073","MoKα","","0.1493","0.1244","","","0.3467","0.3639","","","","","","1.139","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112846","15.547","0.001","15.547","0.001","5.9581","0.0007","90","","90","","90","","1440.1","0.2","100","2","100","2","","","","","","","","4","P -4","P -4","81","PDTDA","4-(2'-pyridine)-1,2,3,5-dithiadiazolyl","","- C6 H4 N3 S2 -","- C6 H4 N3 S2 -","- C48 H32 N24 S16 -","8","2","","Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon","Design and Synthesis of a 4-(2'-Pyridyl)-1,2,3,5-Dithiadiazolyl Cobalt Complex","Journal of the American Chemical Society","2004","126","","9942","9943","10.1021/ja046304t","","","0.71073","MoKα","","0.0283","0.0267","","","0.0611","0.0616","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112847","8.872","0.0002","16.58","0.003","15.119","0.003","90","","90","","90","","2224","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","[4-(2'-pyridyl)-1,2,3,5-DTA]Co(hfac)2","[4-(2'-pyridine)-1,2,3,5-dithiadiazolyl]Co(hexaflouroacetate)2","","- C16 H6 Co F12 N3 O4 S2 -","- C16 H6 Co F12 N3 O4 S2 -","- C64 H24 Co4 F48 N12 O16 S8 -","4","1","","Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon","Design and Synthesis of a 4-(2'-Pyridyl)-1,2,3,5-Dithiadiazolyl Cobalt Complex","Journal of the American Chemical Society","2004","126","","9942","9943","10.1021/ja046304t","","","0.71073","MoKα","","0.0916","0.0522","","","0.1078","0.1201","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112848","7.843","0.007","10.205","0.005","10.691","0.008","83.99","0.05","73.01","0.07","77.47","0.06","798.1","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","0.71073","MoKα","","0.1514","0.074","","","0.1835","0.2134","","","","","","1.043","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112849","14.136","0.002","7.047","0.003","15.439","0.003","90","","90.434","0.013","90","","1537.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","1.54056","CuKa","","0.1388","0.0858","","","0.2172","0.2509","","","","","","0.961","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112850","7.6242","0.0009","9.059","0.0009","12.9909","0.0011","94.16","0.008","100.234","0.008","112.484","0.008","806.06","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N2 O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","0.7093","MoKα","","0.0603","0.0459","","","0.1107","0.1127","","","","","","1.109","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112851","10.055","0.005","10.268","0.005","19.814","0.005","90","0.005","90","0.005","90","0.005","2045.7","1.5","100","2","100","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C27 H37 -","- C27 H37 -","- C108 H148 -","4","0.5","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.0784","0.0408","","","0.0621","0.0665","","","","","","1.002","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112852","10.065","0.005","18.356","0.005","18.442","0.005","90","0.005","93.821","0.005","90","0.005","3400","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 K O3 -","- C39 H61 K O3 -","- C156 H244 K4 O12 -","4","1","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.062","0.0447","","","0.1099","0.116","","","","","","1.005","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112853","6.503","0.005","15.317","0.005","20.9","0.005","97.944","0.005","93.392","0.005","95.261","0.005","2047.7","1.8","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C27 H38 -","- C27 H38 -","- C108 H152 -","4","2","","Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu","Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization","Journal of the American Chemical Society","2004","126","","9930","9931","10.1021/ja046617o","","","0.71069","MoKα","","0.0943","0.0534","","","0.0896","0.1008","","","","","","0.892","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112854","28.3783","0.0008","20.7597","0.0005","31.9587","0.0009","90","","94.983","0.001","90","","18756.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H69 Ag4 Au2.5 F9 P5.5 -","- C90 H69 Ag4 Au2.5 F9 P5.5 -","- C720 H552 Ag32 Au20 F72 P44 -","8","1","","Qiao-Hua Wei; Li-Yi Zhang; Gang-Qiang Yin; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heteronuclear AuI5AgI8 Complexes of {1,2,3-C6(C6H4R-4)3}3- (R = H, CH3, But) by Cyclotrimerization of Arylacetylides","Journal of the American Chemical Society","2004","126","","9940","9941","10.1021/ja047302b","","","0.71073","MoKα","","0.124","0.0692","","","0.1609","0.2022","","","","","","1.236","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112855","28.733","0.003","11.8213","0.0011","19.6365","0.0018","90","","112.349","0.002","90","","6168.8","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","{Me3NN]Cu=CPh2","","","- C36 H39 Cu N2 -","- C36 H39 Cu N2 -","- C288 H312 Cu8 N16 -","8","1","","Xuliang Dai; Timothy H. Warren","Discrete Bridging and Terminal Copper Carbenes in Copper-Catalyzed Cyclopropanation","Journal of the American Chemical Society","2004","126","","10085","10094","10.1021/ja047935q","","","0.71073","MoKα","","0.0886","0.0544","","","0.1377","0.1494","","","","","","1.055","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112856","23.906","0.002","23.681","0.002","19.3596","0.0019","90","","112.538","0.002","90","","10122.8","1.6","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","{[Me2NN]Cu}2(m-CPh2)","","","- C55 H60 Cu2 N4 -","- C55 H60 Cu2 N4 -","- C440 H480 Cu16 N32 -","8","1","","Xuliang Dai; Timothy H. Warren","Discrete Bridging and Terminal Copper Carbenes in Copper-Catalyzed Cyclopropanation","Journal of the American Chemical Society","2004","126","","10085","10094","10.1021/ja047935q","","","0.71073","MoKα","","0.086","0.0479","","","0.1068","0.1166","","","","","","0.9","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112857","9.6803","0.0017","10.1882","0.0018","10.5467","0.0018","61.938","0.003","76.23","0.003","63.747","0.003","822.6","0.3","299","2","299","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H19 B P -","- C17 H19 B P -","- C34 H38 B2 P2 -","2","2","","Garrett Hoge","Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis","Journal of the American Chemical Society","2004","126","","9920","9921","10.1021/ja048079l","","","0.71073","MoKα","","0.1472","0.0761","","","0.1454","0.1765","","","","","","1.021","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112858","8.3031","0.0012","13.308","0.0019","16.049","0.002","90","","90","","90","","1773.4","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 P2 S2 -","- C16 H24 P2 S2 -","- C64 H96 P8 S8 -","4","1","","Garrett Hoge","Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis","Journal of the American Chemical Society","2004","126","","9920","9921","10.1021/ja048079l","","","0.71073","MoKα","","0.1024","0.0603","","","0.121","0.1384","","","","","","1.006","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112859","13.9715","0.001","27.4987","0.001","17.0704","0.001","90","","97.856","0.01","90","","6496.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H75 Cl2 N9 O17 -","- C65 H63 Cl2 N9 O15.08 -","- C260 H252 Cl8 N36 O60.32 -","4","1","","Victor Maurizot; Christel Dolain; Yoann Leydet; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Design of an Inversion Center between Two Helical Segments","Journal of the American Chemical Society","2004","126","","10049","10052","10.1021/ja0481981","","","1.54178","CuKα","","0.1895","0.1708","","","0.459","0.4759","","","","","","1.128","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112860","18.8887","0.0011","19.094","0.0012","19.6816","0.0015","90","","98.967","0.003","90","","7011.6","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H77 Cl6 N8 O11 -","- C69 H77 Cl6 N8 O11 -","- C276 H308 Cl24 N32 O44 -","4","1","","Victor Maurizot; Christel Dolain; Yoann Leydet; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Design of an Inversion Center between Two Helical Segments","Journal of the American Chemical Society","2004","126","","10049","10052","10.1021/ja0481981","","","0.71073","MoKα","","0.1362","0.0814","","","0.2157","0.2625","","","","","","1.03","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112861","16.746","0.002","16.746","0.002","15.221","0.003","90","","90","","120","","3696.5","1","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H77 Li6 N6 O6 -","- C38 H77 Li6 N6 O6 -","- C114 H231 Li18 N18 O18 -","3","0.333333","","Carsten Strohmann; Timo Seibel; Daniel Schildbach","The Crystal Structures of a Chiral Aminoalkoxide Cluster and Its Adduct with Benzyllithium","Journal of the American Chemical Society","2004","126","","9876","9877","10.1021/ja048216e","","","0.71073","MoKα","","0.0856","0.0495","","","0.1337","0.1447","","","","","","1.045","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112862","11.341","0.002","16.401","0.003","13.311","0.003","90","","100.2","0.03","90","","2436.8","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H79 Li7 N6 O6 -","- C43 H79 Li7 N6 O6 -","- C86 H158 Li14 N12 O12 -","2","1","","Carsten Strohmann; Timo Seibel; Daniel Schildbach","The Crystal Structures of a Chiral Aminoalkoxide Cluster and Its Adduct with Benzyllithium","Journal of the American Chemical Society","2004","126","","9876","9877","10.1021/ja048216e","","","0.71073","MoKα","","0.0777","0.0445","","","0.0901","0.1013","","","","","","1.04","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112863","20.2117","0.0007","15.3609","0.0005","17.3442","0.0006","90","","111.502","0.001","90","","5010.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52.15 H54.3 N12 O17 -","- C52.17 H52.65 N12 O17 -","- C208.68 H210.6 N48 O68 -","4","1","","Anxin Wu; Pritam Mukhopadhyay; Arindam Chakraborty; James C. Fettinger; Lyle Isaacs","Molecular Clips Form Isostructural Dimeric Aggregates from Benzene to Water","Journal of the American Chemical Society","2004","126","","10035","10043","10.1021/ja0486972","","","0.71073","MoKα","","0.0948","0.0521","","","0.1426","0.1595","","","","","","1.096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112864","15.1206","0.0006","16.0783","0.0007","24.5229","0.0011","72.5","0.001","79.253","0.001","66.396","0.001","5195.3","0.4","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H122 Cl8 Fe2 N8 O6 -","- C105 H122 Cl8 Fe2 N8 O6 -","- C210 H244 Cl16 Fe4 N16 O12 -","2","1","","Christopher J. Chang; Zhi-Heng Loh; Chunnian Shi; Fred C. Anson; Daniel G. Nocera","Targeted Proton Delivery in the Catalyzed Reduction of Oxygen to Water by Bimetallic Pacman Porphyrins","Journal of the American Chemical Society","2004","126","","10013","10020","10.1021/ja049115j","","","0.71073","MoKα","","0.1311","0.0858","","","0.2103","0.2496","","","","","","1.051","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112865","8.7648","0.0009","13.7145","0.0014","9.8113","0.001","90","","109.383","0.001","90","","1112.5","0.2","171","1","171","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H37 Mo P2 Si -","- C18 H37 Mo P2 Si -","- C36 H74 Mo2 P4 Si2 -","2","0.5","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.058","0.0481","","0.1302","0.1248","","","","1.059","1.117","1.117","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112866","8.6997","0.0006","17.233","0.0011","16.3335","0.0011","90","","102.332","0.001","90","","2392.2","0.3","144","1","144","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Mo P2 Si -","- C20 H42 Mo P2 Si -","- C80 H168 Mo4 P8 Si4 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.0365","0.0316","","0.0906","0.0876","","","","1.153","1.188","1.188","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112867","8.615","0.003","17.087","0.005","16.187","0.006","90","","102.49","0.03","90","","2326.4","1.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Mo P2 Si -","- C20 H42 Mo P2 Si -","- C80 H168 Mo4 P8 Si4 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","powder diffraction","","","","","","","","","","","","","1.44","","","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112868","14.1108","0.0002","12.2418","0.0003","14.0009","0.0001","90","","90","","90","","2418.54","0.07","143","1","143","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H37 Mo P2 Si -","- C22 H37 Mo P2 Si -","- C88 H148 Mo4 P8 Si4 -","4","0.5","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.041","0.0301","","0.0798","0.0759","","","","0.911","0.978","0.978","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112869","15.8943","0.0006","10.6417","0.0006","17.5824","0.0007","90","","95.083","0.003","90","","2962.2","0.2","114","1","114","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Mo P2 Si2 -","- C28 H41 Mo P2 Si2 -","- C112 H164 Mo4 P8 Si8 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.1509","0.0721","","0.2114","0.1685","","","","0.992","1.09","1.09","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112870","9.0505","0.0005","14.5815","0.0008","21.9795","0.0012","90","","96.229","0.001","90","","2883.5","0.3","128","1","128","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C123 H48 Mo P2 Si2 -","- C23 H48 Mo P2 Si2 -","- C92 H192 Mo4 P8 Si8 -","4","1","","Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan","Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)","Journal of the American Chemical Society","2004","126","","10428","10440","10.1021/ja040026g","","","0.71073","MoKα","","0.0721","0.0425","","0.1117","0.1004","","","","0.964","1.051","1.051","","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112871","9.6863","0.0004","19.9872","0.0009","14.0443","0.0003","90","","105.414","0.002","90","","2621.2","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Fe O3 P -","- C31 H31 Fe O3 P -","- C124 H124 Fe4 O12 P4 -","4","1","","Bernhard Breit; Daniel Breuninger","Desymmetrizing Hydroformylation with the Aid of a Planar Chiral Catalyst-Directing Group","Journal of the American Chemical Society","2004","126","","10244","10245","10.1021/ja0467364","","","0.71073","MoKα","","0.0649","0.0394","","","0.0915","0.0993","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112872","15.6449","0.0015","16.4566","0.0016","14.5862","0.0014","90","","98.653","0.002","90","","3712.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 Pd -","- C42 H48 N4 Pd -","- C168 H192 N16 Pd4 -","4","1","","Michael M. Konnick; Ilia A. Guzei; Shannon S. Stahl","Characterization of Peroxo and Hydroperoxo Intermediates in the Aerobic Oxidation of N-Heterocyclic-Carbene-Coordinated Palladium(0)","Journal of the American Chemical Society","2004","126","","10212","10213","10.1021/ja046884u","","","0.71073","MoKα","","0.0518","0.0469","","","0.1092","0.111","","","","","","1.2","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112873","13.3902","0.0011","14.641","0.0012","22.6735","0.0018","90","","98.1911","0.0014","90","","4399.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H56 N4 O2 Pd -","- C42 H48 N4 O2 Pd -","- C168 H192 N16 O8 Pd4 -","4","1","","Michael M. Konnick; Ilia A. Guzei; Shannon S. Stahl","Characterization of Peroxo and Hydroperoxo Intermediates in the Aerobic Oxidation of N-Heterocyclic-Carbene-Coordinated Palladium(0)","Journal of the American Chemical Society","2004","126","","10212","10213","10.1021/ja046884u","","","0.71073","MoKα","","0.0327","0.0297","","","0.0816","0.0832","","","","","","1.093","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112874","13.0229","0.0013","9.9968","0.001","16.3609","0.0016","90","","106.128","0.0014","90","","2046.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N4 O4 Pd -","- C46 H54 N4 O4 Pd -","- C92 H108 N8 O8 Pd2 -","2","0.5","","Michael M. Konnick; Ilia A. Guzei; Shannon S. Stahl","Characterization of Peroxo and Hydroperoxo Intermediates in the Aerobic Oxidation of N-Heterocyclic-Carbene-Coordinated Palladium(0)","Journal of the American Chemical Society","2004","126","","10212","10213","10.1021/ja046884u","","","0.71073","MoKα","","0.0343","0.0323","","","0.0851","0.0868","","","","","","1.016","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112875","10.5668","0.0003","11.8758","0.0004","12.7952","0.0004","67.749","0.001","65.788","0.001","67.489","0.001","1305.19","0.07","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H33 F3 N3 O3 P S -","- C24 H33 F3 N3 O3 P S -","- C48 H66 F6 N6 O6 P2 S2 -","2","1","","Emmanuelle Despagnet-Ayoub; Robert H. Grubbs","A Stable Four-Membered N-Heterocyclic Carbene","Journal of the American Chemical Society","2004","126","","10198","10199","10.1021/ja047892d","","","0.71073","MoKα","","0.0719","0.045","","","0.0829","0.085","","","","","","1.703","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112876","8.9994","0.001","26.366","0.003","12.6593","0.0014","90","","94.24","0.002","90","","2995.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 N3 P -","- C31 H48 N3 P -","- C124 H192 N12 P4 -","4","1","","Emmanuelle Despagnet-Ayoub; Robert H. Grubbs","A Stable Four-Membered N-Heterocyclic Carbene","Journal of the American Chemical Society","2004","126","","10198","10199","10.1021/ja047892d","","","0.71073","MoKα","","0.0822","0.0525","","","0.081","0.0846","","","","","","1.496","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112877","13.7626","0.0006","16.2123","0.0008","21.7085","0.001","90","","101.342","0.001","90","","4749.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 N6 P2 -","- C50 H72 N6 P2 -","- C200 H288 N24 P8 -","4","1","","Emmanuelle Despagnet-Ayoub; Robert H. Grubbs","A Stable Four-Membered N-Heterocyclic Carbene","Journal of the American Chemical Society","2004","126","","10198","10199","10.1021/ja047892d","","","0.71073","MoKα","","0.095","0.05","","","0.0728","0.077","","","","","","1.445","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112878","13.21","0.003","13.543","0.003","5.9072","0.0012","90","","90","","90","","1056.8","0.4","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H2 K3 O10 Si3 Tb -","- H2 K3 O10 Si3 Tb -","- H8 K12 O40 Si12 Tb4 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","","","0.71073","MoKα","","0.0408","0.0339","","","0.0838","0.0876","","","","","","1.085","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112879","13.1526","0.0003","13.5228","0.0003","5.8676","0.0002","90","","90","","90","","1043.61","0.05","293","2","298","","","","","","","","synthesis as described in the paper","5","P n m a","-P 2ac 2n","62","","Tripotassium erbium triorthosilicate","","- Er H2 K3 O10 Si3 -","- Er H2 K3 O10 Si3 -","- Er4 H8 K12 O40 Si12 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0574","2.76","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4112880","13.2462","0.0002","13.6103","0.0003","5.9436","0.0002","90","","90","","90","","1071.54","0.05","293","2","298","","","","","","","","synthesis as described in the paper","5","P n m a","-P 2ac 2n","62","","Tripotassium europium triorthosilicate","","- Eu H2 K3 O10 Si3 -","- Eu H2 K3 O10 Si3 -","- Eu4 H8 K12 O40 Si12 -","4","0.5","","Duarte Ananias; Mariya Kostova; Filipe A. Almeida Paz; Artur Ferreira; Luís D. Carlos; Jacek Klinowski; João Rocha","Photoluminescent Layered Lanthanide Silicates","Journal of the American Chemical Society","2004","126","","10410","10417","10.1021/ja047905n","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0952","6.7","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4112881","10.3359","0.0004","15.0175","0.0006","8.8638","0.0004","90","","105.356","0.0031","90","","1326.71","0.1","298","","298","","","","","","","","synth-as-discribed","2","C 1 2/m 1","-C 2y","12","ITQ-12","[Si24O48]-ITW-ITQ-12","","- O6 Si3 -","- O6 Si3 -","- O48 Si24 -","8","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","x-ray","0.71026","","","","","","","","","0.10466","","6.61","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112882","10.336","0.0004","15.0177","0.0006","8.8639","0.00035","90","","105.356","0.0029","90","","1326.76","0.09","298","","298","","","","","","","","","2","C 1 m 1","C -2y","8","zeolite ITQ-12","[Si24O48]-ITW-ITQ-12","","- O48 Si24 -","- O12 Si6 -","- O48 Si24 -","4","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","","0.71026","synchrotron","","","","","","","","","","6.32","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112883","10.44783","0.00029","14.9854","0.0004","8.83659","0.00027","90","","105.935","0.0019","90","","1330.34","0.07","298","","298","","","","","","","","Synth-as-deiscribed","5","C 1 m 1","C -2y","8","ITQ-12","","","- C6 F N2 O24 Si12 -","- C5.5 F N2 O24 Si12 -","- C11 F2 N4 O48 Si24 -","2","0.5","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","x-ray","0.71026","Synchrotron","","","","","","","","0.07495","","5.88","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112884","11.8634","0.0009","6.4554","0.0005","17.1787","0.0013","90","","90","","90","","1315.6","0.17","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 N2 O2 S -","- C5 H4 N2 O2 S -","- C40 H32 N16 O16 S8 -","8","1","","Michael T. Ashby; Halikhedkar Aneetha","Reactive Sulfur Species: Aqueous Chemistry of Sulfenyl Thiocyanates","Journal of the American Chemical Society","2004","126","","10216","10217","10.1021/ja048585a","","","0.71073","MoKα","","0.0411","0.0389","","","0.1106","0.113","","","","","","1.051","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4112885","18.903","0.004","18.624","0.004","20.125","0.004","90","","94.36","0.03","90","","7064","3","133","2","133","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72.65 H108.9 Al2 N4 O0.45 S2 Si2 -","- C72.653 H108.898 Al2 N4 O0.449 S2 Si2 -","- C290.612 H435.592 Al8 N16 O1.796 S8 Si8 -","4","1","","Hongping Zhu; Jianfang Chai; Qingjun Ma; Vojtech Jancik; Herbert W. Roesky; Hongjun Fan; Regine Herbst-Irmer","A Seven-Membered Aluminum Sulfur Allenyl Heterocycle Arising from the Conversion of an Aluminacyclopropene with CS2","Journal of the American Chemical Society","2004","126","","10194","10195","10.1021/ja049462t","","","1.54178","CuKα","","0.0421","0.0339","","","0.0728","0.0761","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112886","10.166","0.002","12.781","0.003","17.393","0.004","77.19","0.03","87.82","0.03","81.06","0.03","2176.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.32 H68.79 Al N2 O2.89 Si2 -","- C42.321 H68.786 Al N2 O2.893 Si2 -","- C84.642 H137.572 Al2 N4 O5.786 Si4 -","2","1","","Hongping Zhu; Jianfang Chai; Qingjun Ma; Vojtech Jancik; Herbert W. Roesky; Hongjun Fan; Regine Herbst-Irmer","A Seven-Membered Aluminum Sulfur Allenyl Heterocycle Arising from the Conversion of an Aluminacyclopropene with CS2","Journal of the American Chemical Society","2004","126","","10194","10195","10.1021/ja049462t","","","1.54178","CuKα","","0.0368","0.0357","","","0.0885","0.0895","","","","","","1.024","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112887","10.448","","14.9855","","8.8367","","90","","105.94","","90","","1330.35","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 F2 I24 N4 O48 S -","- C1.5 F0.25 N0.5 O6 Si3 -","- C12 F2 N4 O48 Si24 -","8","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","","","","","","","","","","","","","5.62","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112888","13.6056","0.0003","23.3073","0.0004","19.1246","0.0004","90","","105.461","0.001","90","","5845.1","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H94 F12 N10 O32 P4 Pt2 S4 -","- C92 H94 F12 N10 O32 P4 Pt2 S4 -","- C184 H188 F24 N20 O64 P8 Pt4 S8 -","2","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0972","0.0652","","","0.165","0.1836","","","","","","1.116","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112889","13.2388","0.0003","24.2168","0.0005","19.015","0.0004","90","","106.889","0.0011","90","","5833.3","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C97 H89 F12 N4 O20 P4 Pt2 S4 -","- C97 H89 F12 N4 O20 P4 Pt2 S4 -","- C194 H178 F24 N8 O40 P8 Pt4 S8 -","2","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.1386","0.0812","","","0.1872","0.2126","","","","","","1.086","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112890","10.5043","0.0002","12.0394","0.0003","20.2334","0.0006","91.9466","0.001","104.844","0.0012","90.2628","0.002","2471.77","0.11","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C90 H92 F12 N4 O24 P4 Pd2 S4 -","- C90 H92 F12 N4 O24 P4 Pd2 S4 -","- C90 H92 F12 N4 O24 P4 Pd2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0893","0.0551","","","0.1242","0.1417","","","","","","1.016","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112891","8.8151","0.0001","9.0347","0.0001","22.8904","0.0004","90.8881","0.0006","91.573","0.0006","99.6842","0.0006","1796","0.04","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C45 H63 F12 N5 O22 P4 Pt2 S4 -","- C45 H63 F12 N5 O22 P4 Pt2 S4 -","- C45 H63 F12 N5 O22 P4 Pt2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.055","0.051","","","0.1217","0.1233","","","","","","1.187","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112892","8.8035","0.0002","9.1015","0.0002","23.335","0.0007","89.8587","0.0007","88.1624","0.0008","80.5377","0.0016","1843.32","0.08","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C50 H74 F12 N4 O21 P4 Pt2 S4 -","- C50 H74 F12 N4 O21 P4 Pt2 S4 -","- C50 H74 F12 N4 O21 P4 Pt2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0558","0.0429","","","0.0938","0.1003","","","","","","1.054","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112893","12.8418","0.0003","28.6558","0.0007","14.1269","0.0004","90","","105.472","0.001","90","","5010.2","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C91 H80 F12 N4 O21 P4 Pd2 S4 -","- C91 H80 F12 N4 O21 P4 Pd2 S4 -","- C182 H160 F24 N8 O42 P8 Pd4 S8 -","2","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.1261","0.069","","","0.1619","0.1882","","","","","","1.033","","","","has coordinates,has disorder","178899","2020-10-21","18:00:00",""
"4112894","11.7834","0.0002","15.3708","0.0003","15.4053","0.0003","88.4998","0.0008","81.9321","0.0008","70.4728","0.0013","2603.06","0.09","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C98 H88 F12 N8 O24 P4 Pd2 S4 -","- C98 H88 F12 N8 O24 P4 Pd2 S4 -","- C98 H88 F12 N8 O24 P4 Pd2 S4 -","1","0.5","","Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang","Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks","Journal of the American Chemical Society","2004","126","","10645","10656","10.1021/ja0388919","","","0.71073","MoKα","","0.0945","0.0615","","","0.1384","0.1576","","","","","","1.027","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112895","10.132","0.003","13.768","0.004","21.539","0.006","81.366","0.004","86.409","0.004","86.84","0.005","2961.6","1.5","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H136 N16 O4 Ru4 Si2 -","- C119.152 H117.872 N16 O3.516 Ru4 Si2 -","- C119.152 H117.872 N16 O3.516 Ru4 Si2 -","1","0.5","","Yanhui Shi; Gordon T. Yee; Guangbin Wang; Tong Ren","A New Direction in Carbon-Rich Organometallic Wires: Diruthenium Compounds Bridged by E-Hex-3-ene-1,5-diyn-diyl","Journal of the American Chemical Society","2004","126","","10552","10553","10.1021/ja0466614","","","0.71073","MoKα","","0.1012","0.0527","","","0.1335","0.1522","","","","","","1.019","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112896","11.806","0.003","18.744","0.005","13.238","0.004","90","","92.104","0.005","90","","2927.5","1.4","373","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 F6 Ni P3 Si -","- C22 H51 F6 Ni P3 Si -","- C88 H204 F24 Ni4 P12 Si4 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0902","0.0711","","","0.149","0.1571","","","","","","1.132","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112897","10.38","0.006","16.047","0.009","16.455","0.009","90","","107.844","0.01","90","","2609","3","373","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H51 Ni P2 -","- C23 H51 Ni P2 -","- C92 H204 Ni4 P8 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0543","0.0451","","","0.1009","0.1055","","","","","","1.05","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112898","35.135","0.003","12.723","0.0011","13.4387","0.0012","90","","90","","90","","6007.4","0.9","373","2","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H65 B F24 Ni P2 -","- C60 H65 B F24 Ni P2 -","- C240 H260 B4 F96 Ni4 P8 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0637","0.0579","","","0.1283","0.1317","","","","","","1.064","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112899","8.7734","0.0005","15.7513","0.0009","18.5648","0.0011","90","","91.093","0.001","90","","2565","0.3","373","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Ni P2 Si -","- C22 H50 Ni P2 Si -","- C88 H200 Ni4 P8 Si4 -","4","1","","Kristina D. Kitiachvili; Daniel J. Mindiola; Gregory L. Hillhouse","Preparation of Stable Alkyl Complexes of Ni(I) and Their One-Electron Oxidation to Ni(II) Complex Cations","Journal of the American Chemical Society","2004","126","","10554","10555","10.1021/ja047052z","","","0.71073","MoKα","","0.0459","0.0392","","","0.1039","0.1076","","","","","","1.046","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112900","18.6448","0.0014","17.6953","0.0014","12.6498","0.001","90","","114.431","0.001","90","","3799.8","0.5","91","2","91","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","[Li(THF)3(Et2O)][Li(HGeDipp*)2]","","","- C76 H98 Ge2 Li2 O4 -","- C78 H98 Ge2 Li2 O4 -","- C156 H196 Ge4 Li4 O8 -","2","0.25","","Anne F. Richards; Marcin Brynda; Philip P. Power","Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures","Journal of the American Chemical Society","2004","126","","10530","10531","10.1021/ja047090i","","","0.71073","MoKα","","0.0996","0.0866","","","0.2484","0.2612","","","","","","1.092","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112901","11.4599","0.0011","18.3736","0.0018","13.3713","0.0013","90","","101.959","0.002","90","","2754.3","0.5","91","2","91","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(Dipp*GeH2)]K2","","","- C60 H76 Ge2 K2 -","- C60 H76 Ge2 K2 -","- C120 H152 Ge4 K4 -","2","0.5","","Anne F. Richards; Marcin Brynda; Philip P. Power","Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures","Journal of the American Chemical Society","2004","126","","10530","10531","10.1021/ja047090i","","","0.71073","MoKα","","0.038","0.0304","","","0.0781","0.0848","","","","","","0.875","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112902","11.6034","0.0015","17.856","0.002","13.1893","0.0017","90","","100.058","0.002","90","","2690.7","0.6","91","2","91","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Na]2[Dipp*Ge(mu-H)]2","","","- C60 H76 Ge2 Na2 -","- C60 H76 Ge2 Na2 -","- C120 H152 Ge4 Na4 -","2","0.5","","Anne F. Richards; Marcin Brynda; Philip P. Power","Reduction of Digermenes with Alkali Metals: Salts of Formula M2[{Ge(H)Ar'}2] (M = Li, Na, or K, Ar' = Terphenyl) with Three Different Structures","Journal of the American Chemical Society","2004","126","","10530","10531","10.1021/ja047090i","","","0.71073","MoKα","","0.0472","0.0384","","","0.1042","0.1112","","","","","","1.033","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112903","10.9314","0.0013","19.06","0.002","36.468","0.004","90","","90","","90","","7598.2","1.5","118","2","118","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C38 H62 N2 Si V -","- C37.9885 H61.9655 N2 Si V -","- C303.908 H495.724 N16 Si8 V8 -","8","2","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.1064","0.0822","","","0.2174","0.2344","","","","","","1.013","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112904","19.3873","0.0014","19.3873","0.0014","19.837","0.003","90","","90","","90","","7456.1","1.4","118","2","118","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C35 H50 F3 N2 O3 S V -","- C35 H50 F3 N2 O3 S V -","- C280 H400 F24 N16 O24 S8 V8 -","8","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.0648","0.0431","","","0.0955","0.1015","","","","","","0.9","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112905","9.4958","0.0009","10.8384","0.001","17.7702","0.0017","96.789","0.002","91.184","0.003","99.567","0.002","1789.3","0.3","112","2","112","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H50 F3 N2 O3 S V -","- C35 H50 F3 N2 O3 S V -","- C70 H100 F6 N4 O6 S2 V2 -","2","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.0527","0.0382","","","0.0943","0.0999","","","","","","0.945","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112906","12.054","0.008","14.486","0.01","18.387","0.013","95.661","0.019","101.827","0.016","101.927","0.019","3041","4","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H90 B N2 O2 V -","- C66 H84.191 B N2 O2 V -","- C132 H168.382 B2 N4 O4 V2 -","2","1","","Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola","Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes","Journal of the American Chemical Society","2004","126","","10506","10507","10.1021/ja0472376","","","0.71073","MoKα","","0.1466","0.0613","","","0.1252","0.1509","","","","","","0.812","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112907","20.5213","0.0003","20.5213","0.0003","20.5213","0.0003","90","","90","","90","","8642","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33(H2O)","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0375","0.035","","","0.106","0.1084","","","","","","1.047","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112908","20.7929","0.0003","20.7929","0.0003","20.7929","0.0003","90","","90","","90","","8989.7","0.2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3[C4H4O(COO)4](OH)2(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~3H2O)","","- C8 H6 O15.67 Zn3.06 -","- C8 H6 O15.6667 Zn3.06017 -","- C192 H144 O376 Zn73.444 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0315","0.0299","","","0.0954","0.0963","","","","","","1.113","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112909","20.329","0.001","20.329","0.001","20.329","0.001","90","","90","","90","","8401.3","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)","","- C8 H6 Co2 O10 -","- C8 H6 Co2 O10 -","- C192 H144 Co48 O240 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1514","0.0695","","","0.1432","0.1773","","","","","","1.004","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112910","20.448","0.001","20.448","0.001","20.448","0.001","90","","90","","90","","8549.7","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33H2O","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0924","0.0541","","","0.1302","0.1481","","","","","","1.073","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112911","20.273","0.001","20.273","0.001","20.273","0.001","90","","90","","90","","8332.1","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)","","- C8 H4 Co2 O10 -","- C8 H4 Co2 O10 -","- C192 H96 Co48 O240 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.203","0.0821","","","0.1852","0.2211","","","","","","0.938","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112912","20.495","0.001","20.495","0.001","20.495","0.001","90","","90","","90","","8608.8","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Co2[C4H4O(COO)4](H2O)2 x 2.33(H2O)","","- C8 H8 Co2 O13.33 -","- C8 H8 Co2 O13.3333 -","- C192 H192 Co48 O320 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.0817","0.0531","","","0.1362","0.1528","","","","","","1.038","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112913","20.482","0.001","20.482","0.001","20.482","0.001","90","","90","","90","","8592.5","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3(O)0.75[C4H4O(COO)4](OH)0.5(H2O)0.83} x [Zn(OH)2(H2O)4]0.02","","- C8 H4 O11.08 Zn3.02 -","- C8 H4 O11.0833 Zn3.02333 -","- C192 H96 O266 Zn72.56 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1633","0.071","","","0.1443","0.184","","","","","","1.013","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112914","20.483","0.001","20.483","0.001","20.483","0.001","90","","90","","90","","8593.7","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Zn3(O)[C4H4O(COO)4](H2O)0.5","","- C8 H4 O10.5 Zn3 -","- C8 H4 O10.5 Zn3.02333 -","- C192 H96 O252 Zn72.56 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1732","0.0766","","","0.1662","0.2086","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112915","20.713","0.001","20.713","0.001","20.713","0.001","90","","90","","90","","8886.5","0.7","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","{[Zn3(O)0.12[C4H4O(COO)4](OH)1.76(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~2.5H2O)","","- C8 H4 O15.06 Zn3.01 -","- C8 H4 O15.0467 Zn3.01217 -","- C192 H96 O361.12 Zn72.292 -","24","1","","Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov","Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure","Journal of the American Chemical Society","2004","126","","10502","10503","10.1021/ja0474190","","","0.71073","MoKα","","0.1268","0.0595","","","0.1352","0.1636","","","","","","1.034","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112916","19.7763","0.0016","17.0482","0.0014","8.2902","0.0007","90","","110.11","0.001","90","","2624.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H20 B Br2 F2 N3 -","- C32 H20 B Br2 F2 N3 -","- C128 H80 B4 Br8 F8 N12 -","4","1","","Aoife Gorman; John Killoran; Caroline O'Shea; Tony Kenna; William M. Gallagher; Donal F. O'Shea","In Vitro Demonstration of the Heavy-Atom Effect for Photodynamic Therapy","Journal of the American Chemical Society","2004","126","","10619","10631","10.1021/ja047649e","","","0.71073","MoKα","","0.0281","0.0266","","","0.0632","0.0639","","","","","","1.062","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112917","11.0558","0.0015","28.104","0.004","11.1187","0.0015","90","","106.96","0.002","90","","3304.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","03277","","","- C24 H52 Si4 Th -","- C24 H52 Si4 Th -","- C96 H208 Si16 Th4 -","4","1","","Christin N. Carlson; Timothy P. Hanusa; William W. Brennessel","Metal Allyl Complexes with Bulky Ligands: Stabilization of Homoleptic Thorium Compounds, [(SiMe3)nC3H5-n]4Th (n= 1, 2)","Journal of the American Chemical Society","2004","126","","10550","10551","10.1021/ja047770l","","","0.71073","MoKα","","0.0339","0.0257","","","0.0537","0.0562","","","","","","1.053","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112918","41.77","0.006","12.227","0.002","20.379","0.003","90","","98.543","0.002","90","","10293","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","03242","","","- C36 H84 Si8 Th -","- C36 H84 Si8 Th -","- C288 H672 Si64 Th8 -","8","1","","Christin N. Carlson; Timothy P. Hanusa; William W. Brennessel","Metal Allyl Complexes with Bulky Ligands: Stabilization of Homoleptic Thorium Compounds, [(SiMe3)nC3H5-n]4Th (n= 1, 2)","Journal of the American Chemical Society","2004","126","","10550","10551","10.1021/ja047770l","","","0.71073","MoKα","","0.0673","0.0412","","","0.0896","0.1","","","","","","1.034","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112919","31.853","0.0003","31.853","0.0003","8.438","0.0002","90","","90","","90","","8561.3","0.2","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C22 H36 U -","- C22 H36 U -","- C352 H576 U16 -","16","1","","Eyal Barnea; Tamer Andrea; Moshe Kapon; Jean-Claude Berthet; Michel Ephritikhine; Moris S. Eisen","Catalytic Coupling of Terminal Alkynes with Isonitriles Promoted by Organoactinide Complexes","Journal of the American Chemical Society","2004","126","","10860","10861","10.1021/ja046604a","","","0.71073","MoKα","","0.0514","0.0288","","","0.0546","0.0575","","","","","","0.909","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112920","8.6475","0.0005","11.3708","0.0007","22.7506","0.0014","102.309","0.001","93.762","0.001","96.21","0.001","2163.7","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H40 F12 N8 O P2 Ru -","- C39 H40 F12 N8 O P2 Ru -","- C78 H80 F24 N16 O2 P4 Ru2 -","2","1","","Ruifa Zong; Randolph P. Thummel","2,9-Di-(2'-pyridyl)-1,10-phenanthroline: A Tetradentate Ligand for Ru(II)","Journal of the American Chemical Society","2004","126","","10800","10801","10.1021/ja047410y","","","0.71073","MoKα","","0.0559","0.0398","","","0.0996","0.1116","","","","","","1.071","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112921","8.9301","","9.493","0.001","9.7181","0.0001","71.094","0.008","82.632","0.0003","73.364","0.0004","746.2","0.09","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 N O3 Ru Si -","- C12 H13 N O3 Ru Si -","- C24 H26 N2 O6 Ru2 Si2 -","2","1","","Kenichiro Itami; Koichi Mitsudo; Kazuyoshi Fujita; Youichi Ohashi; Jun-ichi Yoshida","Catalytic Intermolecular Pauson-Khand-Type Reaction: Strong Directing Effect of Pyridylsilyl and Pyrimidylsilyl Groups and Isolation of Ru Complexes Relevant to Catalytic Reaction","Journal of the American Chemical Society","2004","126","","11058","11066","10.1021/ja047484+","","","0.7107","MoKα","","","0.059","","","","0.066","","","","","","2.255","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112922","8.616","0.002","10.869","0.003","15.068","0.004","102.086","0.009","94.544","0.011","111.186","0.011","1267.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N O Ru2 -","- C27 H35 N O Ru2 -","- C54 H70 N2 O2 Ru4 -","2","1","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.137","0.0599","","","0.1086","0.1295","","","","","","0.925","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112923","16.2289","0.0014","12.5086","0.0013","17.0085","0.0011","90","","90","","90","","3452.7","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H45 N Ru2 -","- C39 H44 N2 Ru2 -","- C156 H176 N8 Ru8 -","4","0.5","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.0885","0.0436","","","0.0878","0.1015","","","","","","0.999","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112924","10.4556","0.0007","20.399","0.003","14.379","0.0014","90","","104.395","0.005","90","","2970.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N2 Ru2 -","- C31 H35 N2 Ru2 -","- C124 H140 N8 Ru8 -","4","1","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.0769","0.0485","","","0.1142","0.1241","","","","","","1.052","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112925","8.621","0.003","11.041","0.004","15.143","0.006","103.82","0.03","89.08","0.03","113.05","0.03","1283.1","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H37 N Ru2 -","- C27 H37 N Ru2 -","- C54 H74 N2 Ru4 -","2","1","","Shin Takemoto; Tomoharu Kobayashi; Hiroyuki Matsuzaka","Reactivity of Amido Ligands on a Dinuclear Ru(II) Center: Formation of Imido Complexes and C-N Coupling Reaction with Alkyne","Journal of the American Chemical Society","2004","126","","10802","10803","10.1021/ja047920s","","","0.71075","MoKα","","0.1062","0.0552","","","0.1077","0.1222","","","","","","0.996","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112926","20.17","0.001","14.898","0.001","23.905","0.001","90","","92.44","0.01","90","","7176.8","0.7","198","2","198","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 B Cl2 F10 N2 Si Zr -","- C35 H27 B Cl2 F10 N2 Si Zr -","- C280 H216 B8 Cl16 F80 N16 Si8 Zr8 -","8","1","","Michael Hill; Gerhard Erker; Gerald Kehr; Roland Fröhlich; Olga Kataeva","Exploring CH-Activation Pathways in Bifunctional Zirconocene/Borane Systems","Journal of the American Chemical Society","2004","126","","11046","11057","10.1021/ja048447l","","","0.71073","MoKα","","0.0911","0.0424","","","0.0917","0.1087","","","","","","1.011","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112927","9.766","0.001","10.662","0.001","18.675","0.001","104.46","0.01","96.15","0.01","109.47","0.01","1736.2","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 B F10 Si Zr -","- C40 H31 B F10 Si Zr -","- C80 H62 B2 F20 Si2 Zr2 -","2","1","","Michael Hill; Gerhard Erker; Gerald Kehr; Roland Fröhlich; Olga Kataeva","Exploring CH-Activation Pathways in Bifunctional Zirconocene/Borane Systems","Journal of the American Chemical Society","2004","126","","11046","11057","10.1021/ja048447l","","","0.71073","MoKα","","0.0437","0.0351","","","0.0863","0.0908","","","","","","1.061","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112928","14.3226","0.0019","22.814","0.003","21.159","0.003","90","","104.85","0.014","90","","6682.9","1.6","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H64 Cl6 Fe Ni2 P4 -","- C67 H64 Cl6 Fe Ni2 P4 -","- C268 H256 Cl24 Fe4 Ni8 P16 -","4","1","","Jean-Cyrille Hierso; Aziz Fihri; Vladimir V. Ivanov; Bernard Hanquet; Nadine Pirio; Bruno Donnadieu; Bertrand Rebière; Régine Amardeil; Philippe Meunier","""Through-Space"" Nuclear Spin-Spin JPP Coupling in Tetraphosphine Ferrocenyl Derivatives: A 31P NMR and X-ray Structure Correlation Study for Coordination Complexes","Journal of the American Chemical Society","2004","126","","11077","11087","10.1021/ja048907a","","","0.71073","MoKα","","0.2044","0.0783","","","0.1718","0.2386","","","","","","0.823","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112929","12.1064","0.0002","40.2368","0.0007","14.5029","0.0003","90","","93.32","0.001","90","","7052.8","0.2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H65 Br2 Cl9 Fe Ni P4 -","- C69 H65 Br2 Cl9 Fe Ni P4 -","- C276 H260 Br8 Cl36 Fe4 Ni4 P16 -","4","1","","Jean-Cyrille Hierso; Aziz Fihri; Vladimir V. Ivanov; Bernard Hanquet; Nadine Pirio; Bruno Donnadieu; Bertrand Rebière; Régine Amardeil; Philippe Meunier","""Through-Space"" Nuclear Spin-Spin JPP Coupling in Tetraphosphine Ferrocenyl Derivatives: A 31P NMR and X-ray Structure Correlation Study for Coordination Complexes","Journal of the American Chemical Society","2004","126","","11077","11087","10.1021/ja048907a","","","0.71073","MoKα","","0.1668","0.0691","","","0.1278","0.1583","","","","","","1.014","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112930","7.7217","0.0008","11.3593","0.0011","15.5075","0.0015","98.959","0.002","97.956","0.002","104.367","0.002","1279.1","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Fe4 N8 O8 S6 -","- C8 H16 Fe4 N8 O8 S6 -","- C16 H32 Fe8 N16 O16 S12 -","2","1","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.0437","0.0408","","","0.108","0.1114","","","","","","1.08","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112931","7.665","0.006","23.861","0.018","7.803","0.006","90","","112.869","0.014","90","","1314.9","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Fe N3 O S2 -","- C10 H20 Fe N3 O S2 -","- C40 H80 Fe4 N12 O4 S8 -","4","1","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.096","0.0717","","","0.1702","0.182","","","","","","1.06","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112932","16.448","0.01","12.384","0.008","28.996","0.017","90","","90","","90","","5906","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H21 Fe N4 O2 S2 -","- C10 H21 Fe N4 O2 S2 -","- C160 H336 Fe16 N64 O32 S32 -","16","2","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.1546","0.0581","","","0.1219","0.1481","","","","","","0.868","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112933","8.5445","0.0008","22.09","0.002","26.409","0.003","85.199","0.003","84.017","0.003","89.845","0.003","4940","0.9","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H37 N O3 S Si -","- C25 H37 N O3 S Si -","- C200 H296 N8 O24 S8 Si8 -","8","4","","P. Andrew Evans; Erich W. Baum","Diastereoselective Intramolecular Temporary Silicon-Tethered Rhodium-Catalyzed [4+2+2] Cycloisomerization Reactions: Regiospecific Incorporation of Substituted 1,3-Butadienes","Journal of the American Chemical Society","2004","126","","11150","11151","10.1021/ja046030+","","","0.71073","MoKα","","0.101","0.0511","","","0.0925","0.1074","","","","","","0.691","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112934","19.1175","0.0017","8.4638","0.0007","17.2327","0.0015","90","","116.296","0.002","90","","2499.8","0.4","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 N O3 S Si -","- C25 H37 N O3 S Si -","- C100 H148 N4 O12 S4 Si4 -","4","1","","P. Andrew Evans; Erich W. Baum","Diastereoselective Intramolecular Temporary Silicon-Tethered Rhodium-Catalyzed [4+2+2] Cycloisomerization Reactions: Regiospecific Incorporation of Substituted 1,3-Butadienes","Journal of the American Chemical Society","2004","126","","11150","11151","10.1021/ja046030+","","","0.71073","MoKα","","0.0784","0.0425","","","0.0763","0.086","","","","","","0.819","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112935","25.4245","0.001","9.5083","0.0004","25.4884","0.001","90","","98.36","0.001","90","","6096.2","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H16 N2 O4 Pt S -","- C13 H16 N2 O4 Pt S -","- C208 H256 N32 O64 Pt16 S16 -","16","2","","Andrei N. Vedernikov; James C. Fettinger; Fabian Mohr","Synthesis and Reactivity of Dimethyl Platinum(IV) Hydrides in Water","Journal of the American Chemical Society","2004","126","","11160","11161","10.1021/ja046310p","","","0.71073","MoKα","","0.0335","0.0263","","","0.0602","0.063","","","","","","1.096","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112936","10.7681","0.0013","8.8122","0.0011","20.104","0.002","90","","104.914","0.002","90","","1843.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17.55 Cl2.11 N2 O3 Pt S -","- C14 H17.56 Cl2.11 N2 O3 Pt S -","- C56 H70.24 Cl8.44 N8 O12 Pt4 S4 -","4","1","","Andrei N. Vedernikov; James C. Fettinger; Fabian Mohr","Synthesis and Reactivity of Dimethyl Platinum(IV) Hydrides in Water","Journal of the American Chemical Society","2004","126","","11160","11161","10.1021/ja046310p","","","0.71073","MoKα","","0.051","0.0411","","","0.1066","0.1121","","","","","","1.074","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112937","15.5738","0.0005","17.2429","0.0008","18.2439","0.0008","90","","90.816","0.002","90","","4898.7","0.4","100","2","100","2","","","","","","","chemical synthesis","2","P 1 21/c 1","-P 2ybc","14","","9,10,11,20,21,22-Hexaphenyltetrabenzo[a,c,l,n]pentacene","","- C74 H46 -","- C74 H46 -","- C296 H184 -","4","1","","Jun Lu; Douglas M. Ho; Nancy J. Vogelaar; Christina M. Kraml; Robert A. Pascal","A Pentacene with a 144° Twist","Journal of the American Chemical Society","2004","126","","11168","11169","10.1021/ja046576w","","","0.97791","Synchrotron","","0.0683","0.0635","","0.1937","","0.1847","","","1.056","","","1.075","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112938","7.161","0.002","28.055","0.006","7.651","0.002","90","","110.3","0.1","90","","1441.6","1.1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Mn N12 O6 -","- C30 H26 Mn N12 O6 -","- C60 H52 Mn2 N24 O12 -","2","0.5","","Danuta Dobrzyńska; Lucjan B. Jerzykiewicz","Adenine Ribbon with Watson-Crick and Hoogsteen Motifs as the ""Double-Sided Adhesive Tape"" in the Supramolecular Structure of Adenine and Metal Carboxylate","Journal of the American Chemical Society","2004","126","","11118","11119","10.1021/ja0470113","","","0.71073","MoKα","","0.0728","0.0454","","","0.131","0.1528","","","","","","1.107","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112939","13.7244","0.001","12.8123","0.0009","21.4443","0.0014","90","","105.997","0.001","90","","3624.8","0.4","193","2","193","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Mo(OC[Ad]Mes)4","","","- C84 H110 Mo O5 -","- C84 H110 Mo O5 -","- C168 H220 Mo2 O10 -","2","0.5","","Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins","A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)","Journal of the American Chemical Society","2004","126","","11370","11376","10.1021/ja0472533","","","0.71073","MoKα","","0.066","0.0584","","","0.1463","0.1503","","","","","","1.056","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112940","13.7807","0.0011","22.8234","0.0017","26.558","0.002","90","","101.402","0.002","90","","8188.2","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(tBuNC)Mo(OC[Ad]Mes)4","","","- C93 H129 Mo N O6 -","- C93 H129 Mo N O6 -","- C372 H516 Mo4 N4 O24 -","4","1","","Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins","A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)","Journal of the American Chemical Society","2004","126","","11370","11376","10.1021/ja0472533","","","0.71073","MoKα","","0.176","0.0862","","","0.1781","0.2065","","","","","","0.964","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112941","34.554","0.004","20.891","0.002","24.73","0.003","90","","99.32","0.002","90","","17616","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(NCN)Mo(OC[Ad]Mes)4","","","- C87 H100 Mo N2 O5.5 -","- C87 H100 Mo N2 O5.5 -","- C696 H800 Mo8 N16 O44 -","8","1","","Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins","A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)","Journal of the American Chemical Society","2004","126","","11370","11376","10.1021/ja0472533","","","0.71073","MoKα","","0.0818","0.0572","","","0.1577","0.1669","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112942","9.4445","0.0016","9.4856","0.0016","12.352","0.002","86.959","0.003","85.645","0.003","89.977","0.003","1101.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H43 N O4 -","- C20 H43 N O4 -","- C40 H86 N2 O8 -","2","1","","Bradley A. Steinhoff; Ilia A. Guzei; Shannon S. Stahl","Mechanistic Characterization of Aerobic Alcohol Oxidation Catalyzed by Pd(OAc)2/Pyridine Including Identification of the Catalyst Resting State and the Origin of Nonlinear [Catalyst] Dependence","Journal of the American Chemical Society","2004","126","","11268","11278","10.1021/ja049962m","","","0.71073","MoKα","","0.0564","0.0498","","","0.1149","0.1175","","","","","","1.164","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112943","10.928","0.002","9.2369","0.0018","11.087","0.002","90","","109.07","0.003","90","","1057.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O4 Pd -","- C24 H20 N2 O4 Pd -","- C48 H40 N4 O8 Pd2 -","2","1","","Bradley A. Steinhoff; Ilia A. Guzei; Shannon S. Stahl","Mechanistic Characterization of Aerobic Alcohol Oxidation Catalyzed by Pd(OAc)2/Pyridine Including Identification of the Catalyst Resting State and the Origin of Nonlinear [Catalyst] Dependence","Journal of the American Chemical Society","2004","126","","11268","11278","10.1021/ja049962m","","","0.71073","MoKα","","0.0468","0.0423","","","0.1017","0.1042","","","","","","1.052","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112944","9.0518","0.0007","12.5611","0.0007","29.0084","0.0015","90","","90","","90","","3298.3","0.4","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br4 Cd2 N3 O4 -","- C27 H27 Br4 Cd2 N3 O4 -","- C108 H108 Br16 Cd8 N12 O16 -","4","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Helical, Nonracemic Inorganic-Organic Hybrid Polymers of Cadmium Halides with Pentadentate Bis(oxazoline) Ligands","Journal of the American Chemical Society","2004","126","","11426","11427","10.1021/ja0469784","","","0.71073","MoKα","","0.0588","0.0344","","","0.0634","0.0684","","","","","","0.82","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112945","8.665","0.0009","12.219","0.0008","29.13","0.003","90","","95.297","0.012","90","","3071","0.5","173","","173","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C27 H27 Cd2 Cl4 N3 O4 -","- C27 H27 Cd2 Cl4 N3 O4 -","- C108 H108 Cd8 Cl16 N12 O16 -","4","2","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Helical, Nonracemic Inorganic-Organic Hybrid Polymers of Cadmium Halides with Pentadentate Bis(oxazoline) Ligands","Journal of the American Chemical Society","2004","126","","11426","11427","10.1021/ja0469784","","","0.71073","MoKα","","0.056","0.0313","","","0.0575","0.062","","","","","","0.826","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112946","16.107","0.0007","15.2446","0.0006","16.2557","0.0007","90","","118.082","0.001","90","","3521.6","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H118 Fe Mg4 N8 Na4 -","- C58 H118 Fe Mg4 N8 Na4 -","- C116 H236 Fe2 Mg8 N16 Na8 -","2","0.5","","Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke","A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base","Journal of the American Chemical Society","2004","126","","11612","11620","10.1021/ja0472230","","","0.71073","MoKα","","0.0502","0.0357","","","0.1043","0.1127","","","","","","1.248","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112947","16.1677","0.0005","15.1615","0.0006","16.1872","0.0006","90","","117.288","0.002","90","","3526.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H118 Mg4 N8 Na4 Ru -","- C58 H118 Mg4 N8 Na4 Ru -","- C116 H236 Mg8 N16 Na8 Ru2 -","2","0.5","","Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke","A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base","Journal of the American Chemical Society","2004","126","","11612","11620","10.1021/ja0472230","","","0.71073","MoKα","","0.1136","0.0529","","","0.0941","0.1103","","","","","","1.019","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112948","16.1472","0.0002","15.1476","0.0002","16.1729","0.0002","90","","117.255","0.001","90","","3516.57","0.08","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H118 Mg4 N8 Na4 Os -","- C58 H118 Mg4 N8 Na4 Os -","- C116 H236 Mg8 N16 Na8 Os2 -","2","0.5","","Prokopis C. Andrikopoulos; David R. Armstrong; William Clegg; Carly J. Gilfillan; Eva Hevia; Alan R. Kennedy; Robert E. Mulvey; Charles T. O'Hara; John A. Parkinson; Duncan M. Tooke","A Homologous Series of Regioselectively Tetradeprotonated Group 8 Metallocenes: New Inverse Crown Ring Compounds Synthesized via a Mixed Sodium-Magnesium Tris(diisopropylamide) Synergic Base","Journal of the American Chemical Society","2004","126","","11612","11620","10.1021/ja0472230","","","0.71073","MoKα","","0.0278","0.0203","","","0.0482","0.0502","","","","","","1.043","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112949","18.6299","0.0007","18.6299","0.0007","14.3535","0.001","90","","90","","90","","4981.7","0.4","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H144 N4 O40 P W12 -","- C64 H144 N4 O40 P W12 -","- C128 H288 N8 O80 P2 W24 -","2","0.25","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0493","0.0429","","","0.115","0.1192","","","","","","1.067","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112950","19.057","0.003","19.057","0.003","12.505","0.003","90","","90","","120","","3933","1.3","295","2","295","2","","","","","","","","7","P 32","P 32","145","","","","- C2 H20 K2 O52 P V2 W10 -","- C K2 O53 P W10.041 -","- C3 K6 O159 P3 W30.123 -","3","1","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0609","0.0478","","","0.1049","0.1118","","","","","","1.02","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112951","17.588","0.003","17.588","0.003","17.588","0.003","90","","90","","90","","5440.6","1.6","150","2","150","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C64 H144 N4 O40 V W12 -","- C69.12 H154.56 N4.08 O40 V W12 -","- C138.24 H309.12 N8.16 O80 V2 W24 -","2","0.0416667","","Wenlin Huang; Louis Todaro; Glenn P. A. Yap; Robert Beer; Lynn C. Francesconi; Tatyana Polenova","51V Magic Angle Spinning NMR Spectroscopy of Keggin Anions [PVnW12-nO40](3+n)-: Effect of Countercation and Vanadium Substitution on Fine Structure Constants","Journal of the American Chemical Society","2004","126","","11564","11573","10.1021/ja0475499","","","0.71073","MoKα","","0.0406","0.0344","","","0.0987","0.1069","","","","","","1.047","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112952","13.37556","0.00024","13.37556","","13.37556","","90","","90","","90","","2392.96","0.04","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C30 Cr N6 O24 Ru6 -","- C30 Cr N6 O24 Ru6 -","- C60 Cr2 N12 O48 Ru12 -","2","0.0208333","","Thomas E. Vos; Yi Liao; William W. Shum; Jae-Hyuk Her; Peter W. Stephens; William M. Reiff; Joel S. Miller","Diruthenium Tetraacetate Monocation, [RuII/III2(O2CMe)4]+, Building Blocks for 3-D Molecule-Based Magnets","Journal of the American Chemical Society","2004","126","","11630","11639","10.1021/ja048135i","powder diffraction","x-ray","0.699471","","","","","","","","","0.05805","","2.06","","","","","","","has coordinates,has Fobs","178900","2020-10-21","18:00:00",""
"4112953","22.6378","0.0002","18.6415","0.0002","37.3315","0.0005","90","","102.007","0.001","90","","15409.3","0.3","115","2","115","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C142.5 H194 Cl F3 N8 O24 S13 -","- C142.5 H188 Cl F3 N8 O24 S13 -","- C570 H752 Cl4 F12 N32 O96 S52 -","4","1","","Clément Bonnot; Jean-Claude Chambron; Enrique Espinosa","Simultaneous Freezing of Chirality and In-Out Conformation of a Macropentacyclic Cryptand by Protonation","Journal of the American Chemical Society","2004","126","","11412","11413","10.1021/ja048441w","","","0.71069","MoKα","","0.2095","0.0807","","","0.1808","0.2312","","","","","","0.953","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112954","11.8502","0.0016","12.4174","0.0018","13.1985","0.0018","90","","94.424","0.008","90","","1936.4","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Fe2 N3 O5 P S2 -","- C14 H18 Fe2 N3 O5 P S2 -","- C56 H72 Fe8 N12 O20 P4 S8 -","4","1","","Rosario Mejia-Rodriguez; Daesung Chong; Joseph H. Reibenspies; Manuel P. Soriaga; Marcetta Y. Darensbourg","The Hydrophilic Phosphatriazaadamantane Ligand in the Development of H2 Production Electrocatalysts: Iron Hydrogenase Model Complexes","Journal of the American Chemical Society","2004","126","","12004","12014","10.1021/ja039394v","","","1.54178","CuKα","","0.1258","0.0657","","","0.1346","0.1542","","","","","","0.907","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112955","12.8193","0.001","24.0187","0.0019","8.433","0.0007","90","","105.569","0.001","90","","2501.3","0.3","383","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Fe2 N6 O4 P2 S2 -","- C19 H30 Fe2 N6 O4 P2 S2 -","- C76 H120 Fe8 N24 O16 P8 S8 -","4","1","","Rosario Mejia-Rodriguez; Daesung Chong; Joseph H. Reibenspies; Manuel P. Soriaga; Marcetta Y. Darensbourg","The Hydrophilic Phosphatriazaadamantane Ligand in the Development of H2 Production Electrocatalysts: Iron Hydrogenase Model Complexes","Journal of the American Chemical Society","2004","126","","12004","12014","10.1021/ja039394v","","","0.71073","MoKα","","0.071","0.0555","","","0.1303","0.1444","","","","","","1.099","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112956","9.8578","0.0002","8.8632","0.0002","19.536","0.002","90","","90.691","0.003","90","","1706.77","0.18","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Kenichiro Itami; Masahiro Mineno; Nobuhiro Muraoka; Jun-ichi Yoshida","Sequential Assembly Strategy for Tetrasubstituted Olefin Synthesis Using Vinyl 2-Pyrimidyl Sulfide as a Platform","Journal of the American Chemical Society","2004","126","","11778","11779","10.1021/ja045858t","","","0.7107","MoKα","","","0.115","","","","0.131","","","","","","2.593","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112957","9.8506","0.0019","11.529","0.002","11.5728","0.0015","85.452","0.004","76.899","0.003","86.067","0.003","1274.3","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H66 N2 O4 P2 Pt -","- C56 H66 N2 O4 P2 Pt -","- C56 H66 N2 O4 P2 Pt -","1","0.5","","Simon C. Jones; Veaceslav Coropceanu; Stephen Barlow; Tiffany Kinnibrugh; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder","Delocalization in Platinum-Alkynyl Systems: A Metal-Bridged Organic Mixed-Valence Compound","Journal of the American Chemical Society","2004","126","","11782","11783","10.1021/ja045869m","","","0.71073","MoKα","","0.0578","0.051","","","0.1102","0.1129","","","","","","0.945","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112958","10.832","0.003","11.866","0.003","11.588","0.003","90","","106.96","0.02","90","","1424.7","0.7","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H22 O4 S2 -","- C34 H24 O4 S2 -","- C68 H48 O8 S4 -","2","1","","Eiko Ichikawa; Masato Suzuki; Kazuo Yabu; Matthias Albert; Motomu Kanai; Masakatsu Shibasaki","New Entries in Lewis Acid-Lewis Base Bifunctional Asymmetric Catalyst: Catalytic Enantioselective Reissert Reaction of Pyridine Derivatives","Journal of the American Chemical Society","2004","126","","11808","11809","10.1021/ja045966f","","","0.7107","MoKα","","","0.035","","","","0.074","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112959","10.393","0.001","10.421","0.001","24.059","0.002","80.009","0.003","78.037","0.006","67.813","0.001","2347.3","0.4","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H86 Ni2 O2 P2 -","- C48 Ni2 O2 P2 -","- C96 Ni4 O4 P4 -","2","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.109","","","","0.218","","","","","","4.932","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112960","11.2613","0.0008","11.348","0.001","12.122","0.001","98.863","0.002","95.684","0.003","95.96","0.004","1511.9","0.2","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H98 Ni2 O2 P2 -","- C68 H98 Ni2 O2 P2 -","- C68 H98 Ni2 O2 P2 -","1","0.5","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.057","","","","0.122","","","","","","0.288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112961","11.2785","0.0004","23.2551","0.0009","14.0961","0.0005","90","","100.417","0.0009","90","","3636.2","0.2","273.1","","","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C32 H52 F3 Ni O4 P S Si -","- C32 H52 F3 Ni O4 P S Si -","- C128 H208 F12 Ni4 O16 P4 S4 Si4 -","4","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.0665","","","","0.137","","","","","","3.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112962","13.8413","0.0008","17.639","0.001","13.8433","0.0008","90","","88.445","0.002","90","","3378.6","0.3","273.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H52 F3 Ni O4 P S Si -","- C27 H52 F3 Ni O4 P S Si -","- C108 H208 F12 Ni4 O16 P4 S4 Si4 -","4","1","","Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa","Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf","Journal of the American Chemical Society","2004","126","","11802","11803","10.1021/ja0460716","","","0.7107","MoKα","","","0.0771","","","","0.0999","","","","","","2.536","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112963","8.5511","0.0009","11.618","0.0013","14.657","0.002","90","","90.712","0.006","90","","1456","0.3","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H54 Al2 O2 -","- C26 H54 Al2 O2 -","- C52 H108 Al4 O4 -","2","0.5","","Mark R. Mason; Bingxu Song; Kristin Kirschbaum","Remarkable Room-Temperature Insertion of Carbon Monoxide into an Aluminum-Carbon Bond of Tri-tert-butylaluminum","Journal of the American Chemical Society","2004","126","","11812","11813","10.1021/ja046411n","","","0.71073","MoKα","","0.0695","0.0612","","","0.1156","0.1186","","","","","","1.322","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112964","13.917","0.006","14.869","0.006","17.83","0.008","111.866","0.012","90.764","0.009","103.946","0.01","3301","2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H100 Sn2 -","- C74 H100 Sn2 -","- C148 H200 Sn4 -","2","1","","Lise Baiget; Henri Ranaivonjatovo; Jean Escudié; Heinz Gornitzka","A Stable Distannirane","Journal of the American Chemical Society","2004","126","","11792","11793","10.1021/ja0464239","","","0.71073","MoKα","","0.1202","0.0679","","","0.1438","0.1651","","","","","","1.022","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112965","11.763","0.002","13.693","0.002","14.138","0.002","67.256","0.003","72.859","0.003","70.282","0.003","1941.3","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 Cl F Sn -","- C44 H54 Cl F Sn -","- C88 H108 Cl2 F2 Sn2 -","2","1","","Lise Baiget; Henri Ranaivonjatovo; Jean Escudié; Heinz Gornitzka","A Stable Distannirane","Journal of the American Chemical Society","2004","126","","11792","11793","10.1021/ja0464239","","","0.71073","MoKα","","0.0639","0.0465","","","0.1126","0.1228","","","","","","1.006","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112966","15.784","0.004","16.137","0.004","16.38","0.004","64.733","0.007","70.887","0.007","76.725","0.007","3545.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H40 Mo3 P2 S22 -","- C57 H40 Mo3 P2 S22 -","- C114 H80 Mo6 P4 S44 -","2","1","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1356","0.0641","","","0.1555","0.1935","","","","","","1.03","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112967","16.135","0.006","24.632","0.008","17.983","0.007","90","","109.177","0.007","90","","6751","4","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H73 Cl Mo3 N2 S22 -","- C41.5 H72 Cl Mo3 N2 S22 -","- C166 H288 Cl4 Mo12 N8 S88 -","4","1","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1328","0.0619","","","0.1318","0.1604","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112968","19.439","0.003","19.439","0.003","6.5573","0.0019","90","","90","","120","","2145.9","0.8","233","2","476","2","","","","","","","","3","P -3","-P 3","147","","","","- C9 Mo3 S22 -","- C9 Mo3 S22 -","- C18 Mo6 S44 -","2","0.333333","","Rosa Llusar; Santiago Uriel; Cristian Vicent; Juan M. Clemente-Juan; Eugenio Coronado; Carlos J. Gómez-García; Benoit Braïda; Enric Canadell","Single-Component Magnetic Conductors Based on Mo3S7 Trinuclear Clusters with Outer Dithiolate Ligands","Journal of the American Chemical Society","2004","126","","12076","12083","10.1021/ja0474244","","","0.71073","MoKα","","0.1189","0.0824","","","0.2412","0.2688","","","","","","1.092","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112969","27.12","0.003","12.5509","0.0012","25.193","0.003","90","","118.94","0.001","90","","7504.4","1.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K6 P5 S20 Yb3 -","- K6 P5 S20 Yb3 -","- K48 P40 S160 Yb24 -","8","1","","Jennifer A. Aitken; Mercouri G. Kanatzidis","Interwoven Pair of Open Frameworks in the Thiosphosphate K6Yb3(PS4)5","Journal of the American Chemical Society","2004","126","","11780","11781","10.1021/ja0474648","","","0.71073","MoKα","","0.1381","0.0676","","","0.1666","0.1894","","","","","","1.067","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112970","12.113","0.008","8.758","0.007","19.98","0.02","90","","97.51","0.04","90","","2101","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","{Me2NN]Ni(CH2CH3)","","","- C23 H30 N2 Ni -","- C23 H30 N2 Ni -","- C92 H120 N8 Ni4 -","4","1","","Elzbieta Kogut; Alexander Zeller; Timothy H. Warren; Thomas Strassner","Structure and Dynamics of Neutral β-H Agostic Nickel Alkyls: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","11984","11994","10.1021/ja0477221","","","0.71073","MoKα","","0.1029","0.0496","","","0.1138","0.1273","","","","","","0.947","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112971","13.7","0.008","12.566","0.006","14.086","0.008","90","","116.2","0.014","90","","2176","2","","","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","{Me2NN]Ni(C3H7)","","","- C24 H32 N2 Ni -","- C24 H32 N2 Ni -","- C96 H128 N8 Ni4 -","4","1","","Elzbieta Kogut; Alexander Zeller; Timothy H. Warren; Thomas Strassner","Structure and Dynamics of Neutral β-H Agostic Nickel Alkyls: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","11984","11994","10.1021/ja0477221","","","0.71073","MoKα","","0.1057","0.0429","","","0.0885","0.0962","","","","","","0.808","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112972","9.695","0.001","26.7","0.003","8.864","0.001","90","","90","","90","","2294.5","0.4","173","","173","","","","","","","","?","6","P c c n","-P 2ab 2ac","56","","","","- C10 H12 Fe O4 P Zn0.5 -","- C10 H12 Fe O4 P Zn0.5 -","- C80 H96 Fe8 O32 P8 Zn4 -","8","1","","Olivier Oms; Jean Le Bideau; Fabrice Leroux; Arie van der Lee; Dominique Leclercq; André Vioux","Mixed 1D-2D Inorganic Polymeric Zinc Ferrocenylphosphonate: Crystal Structure and Electrochemical Study","Journal of the American Chemical Society","2004","126","","12090","12096","10.1021/ja049457p","","","0.71073","MoKα","","0.1969","0.0385","","0.0625","0.0419","0.0419","","","","","","1.1356","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112973","28.9132","0.0007","7.8898","0.0002","9.5349","0.0002","90","","90","","90","","2175.1","0.09","100","","100","","","","","","","","see paper","4","P n a 21","P 2c -2n","33","","","","- C28 H31 Nd O -","- C28 H31 Nd O -","- C112 H124 Nd4 O4 -","4","1","","Evgueni Kirillov; Christian W. Lehmann; Abbas Razavi; Jean-François Carpentier","Highly Syndiospecific Polymerization of Styrene Catalyzed by Allyl Lanthanide Complexes","Journal of the American Chemical Society","2004","126","","12240","12241","10.1021/ja0455695","","","0.71073","MoKα","","0.0779","0.0503","","","0.1074","0.1362","","","","","","1.144","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112974","7.4661","0.0012","11.4751","0.0017","28.238","0.004","90","","90","","90","","2419.3","0.6","115","2","115","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N3 -","- C30 H37 N3 -","- C120 H148 N12 -","4","1","","Steven A. Raw; Richard J. K. Taylor","Cascade Reactions of Substituted 1,2,4-Triazines: Rapid Access to Nitrogen-Containing Polycycles","Journal of the American Chemical Society","2004","126","","12260","12261","10.1021/ja045780g","","","0.71073","MoKα","","0.051","0.0351","","","0.0745","0.0807","","","","","","1","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112975","10.1626","0.0009","21.9774","0.0019","34.178","0.003","90","","90","","90","","7633.6","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-tert-Butyldiphenylsilyloxy-3-(3'-methyl-3'H-imidazol-4'-yl)- 2-(2"",4"",6""-triisopropylbenzenesulfonylamino)propane","","- C38 H53 N3 O3 S Si -","- C38 H53 N3 O3 S Si -","- C304 H424 N24 O24 S8 Si8 -","8","2","","Kazuaki Ishihara; Yuji Kosugi; Matsujiro Akakura","Rational Design of anl-Histidine-Derived Minimal Artificial Acylase for the Kinetic Resolution of Racemic Alcohols","Journal of the American Chemical Society","2004","126","","12212","12213","10.1021/ja045850j","","","0.71073","MoKα","","0.0878","0.0627","","","0.1565","0.1716","","","","","","1.079","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112976","12.8098","0.0007","28.259","0.002","19.154","0.001","90","","103.45","0.001","90","","6743.4","0.7","100","1","100","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H65 B F24 N2 O2 Pd -","- C66 H65 B F24 N2 O2 Pd -","- C264 H260 B4 F96 N8 O8 Pd4 -","4","1","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.1071","0.0726","","","0.1866","0.2107","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112977","21.9494","0.0009","12.8691","0.0005","25.207","0.001","90","","115.522","0.001","90","","6425.4","0.4","100","1","100","1","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H59 B F24 N2 O Pd -","- C64 H59 B F24 N2 O Pd -","- C256 H236 B4 F96 N8 O4 Pd4 -","4","0.5","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.0822","0.0675","","","0.1757","0.1874","","","","","","1.036","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112978","12.6191","0.0005","14.6417","0.0006","18.3813","0.0008","108.59","0.001","95.619","0.001","94.228","0.001","3183.7","0.2","100","1","100","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C65.5 H63 B F24 N2 Pd -","- C63 H57 B F24 N2 Pd -","- C126 H114 B2 F48 N4 Pd2 -","2","1","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.0682","0.0554","","","0.155","0.1609","","","","","","1.101","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112979","12.5293","0.0008","15.592","0.001","18.468","0.001","77.686","0.001","70.452","0.001","82.915","0.001","3316.4","0.4","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C66 H65 B F24 N2 O Pd -","- C66 H65 B F24.03 N2 O Pd -","- C132 H130 B2 F48.06 N4 O2 Pd2 -","2","1","","Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen","Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation","Journal of the American Chemical Society","2004","126","","12246","12247","10.1021/ja045948y","","","0.71073","MoKα","","0.1599","0.0786","","","0.2001","0.2318","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112980","23.374","0.002","19.273","0.002","25.05","0.002","90","","90","","90","","11284.7","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54.5 H82.5 Cl1.5 F N9 O7 -","- C52 H78 F N9 O6 -","- C416 H624 F8 N72 O48 -","8","1","","Sung Ok Kang; David VanderVelde; Douglas Powell; Kristin Bowman-James","Fluoride-Facilitated Deuterium Exchange from DMSO-d6 to Polyamide-Based Cryptands","Journal of the American Chemical Society","2004","126","","12272","12273","10.1021/ja046078n","","","0.71073","MoKα","","0.0644","0.0533","","","0.1468","0.1543","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112981","18.37","0.03","16.2","0.02","25.17","0.04","90","","113.52","0.09","90","","6868","18","123.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H15 Cl7 Cu2 F30 N6 O1.62 -","- C68 H15 Cl7 Cu2 F30 N6 O1.62 -","- C272 H60 Cl28 Cu8 F120 N24 O6.48 -","4","0.5","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.7107","MoKα","","","0.095","","","","0.135","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112982","13.979","0.003","15.646","0.003","15.932","0.004","78.753","0.004","73.062","0.004","74.027","0.004","3179.6","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H12 Cl2 Cu2 F30 N6 O4 -","- C67 H12 Cl2 Cu2 F30 N6 O4 -","- C134 H24 Cl4 Cu4 F60 N12 O8 -","2","1","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.71069","MoKα","","0.2275","0.1043","","","0.2147","0.2652","","","","","","1.097","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112983","22.598","0.01","13.063","0.005","25.05","0.011","90","","109.73","0.03","90","","6961","5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 Cl6 Cu2 F42 N6 O -","- C69 Cl6 Cu2 F42 N6 O -","- C276 Cl24 Cu8 F168 N24 O4 -","4","1","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.71075","MoKα","","0.1132","0.0921","","","0.2885","0.3097","","","","","","1.269","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112984","13.964","0.006","16.264","0.007","16.295","0.008","86.66","0.04","74.89","0.04","84.63","0.04","3555","3","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H3 Cl5 Cu2 F42 N6 O3 -","- C69 H3 Cl5 Cu2 F42 N6 O3 -","- C138 H6 Cl10 Cu4 F84 N12 O6 -","2","1","","Soji Shimizu; Venkataramanarao G. Anand; Ryuichiro Taniguchi; Ko Furukawa; Tatsuhisa Kato; Toshihiko Yokoyama; Atsuhiro Osuka","Biscopper Complexes of meso-Aryl-Substituted Hexaphyrin: Gable Structures and Varying Antiferromagnetic Coupling","Journal of the American Chemical Society","2004","126","","12280","12281","10.1021/ja046102x","","","0.7107","MoKα","","","0.065","","","","0.076","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112985","9.961","0.004","8.022","0.003","12.274","0.005","90","","106.993","0.006","90","","938","0.6","250","0.2","250","0.2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","diphenyl ether","diphenyl ether","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Angshuman R. Choudhury; Kabirul Islam; Michael T. Kirchner; Goverdhan Mehta; Tayur N. Guru Row","In Situ Cryocrystallization of Diphenyl Ether: C-H...π Mediated Polymorphic Forms","Journal of the American Chemical Society","2004","126","","12274","12275","10.1021/ja046134k","","","0.71073","MoKα","","0.0677","0.0538","","","0.1164","0.1229","","","","","","1.171","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112986","5.7405","0.0018","7.694","0.002","21.165","0.006","90","","90","","90","","934.8","0.5","240","0.2","240","0.2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","Diphenyl ether","Diphenyl ether","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Angshuman R. Choudhury; Kabirul Islam; Michael T. Kirchner; Goverdhan Mehta; Tayur N. Guru Row","In Situ Cryocrystallization of Diphenyl Ether: C-H...π Mediated Polymorphic Forms","Journal of the American Chemical Society","2004","126","","12274","12275","10.1021/ja046134k","","","0.71073","MoKα","","0.0356","0.0318","","","0.077","0.0793","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112987","4.3898","0.0018","5.694","0.002","9.023","0.004","105.192","0.006","93.81","0.006","111.102","0.006","199.79","0.14","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- B6 Cr H16 -","- B6 Cr H16 -","- B6 Cr H16 -","1","0.5","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0638","0.0514","","","0.1139","0.1198","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112988","9.2238","0.0016","8.7248","0.0015","11.0292","0.0019","90","","102.597","0.003","90","","866.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H32 B6 Cr O2 -","- C8 H32 B6 Cr O2 -","- C16 H64 B12 Cr2 O4 -","2","0.5","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0588","0.0421","","","0.1163","0.1254","","","","","","1.072","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112989","16.404","0.003","13.744","0.003","16.728","0.003","90","","90","","90","","3771.4","1.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H34 B6 Cr P2 -","- C6 H34 B6 Cr P2 -","- C48 H272 B48 Cr8 P16 -","8","1","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0735","0.0349","","","0.074","0.0842","","","","","","0.936","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112990","7.0764","0.0017","16.985","0.004","7.985","0.002","90","","110.589","0.004","90","","898.4","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H36 B6 Cr O2 -","- C8 H36 B6 Cr O2 -","- C16 H72 B12 Cr2 O4 -","2","0.5","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0871","0.0401","","","0.0733","0.0841","","","","","","0.924","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112991","11.106","0.001","14.117","0.001","13.274","0.001","90","","98.934","0.003","90","","2055.9","0.3","90","1","90","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-Pt(propylene)Cl2PPh3","cis-PtCl2(PPh3)(C3H6)","","- C21 H21 Cl2 P Pt -","- C21 H21 Cl2 P Pt -","- C84 H84 Cl8 P4 Pt4 -","4","1","","Ruslan Pryadun; Dinesh Sukumaran; Robert Bogadi; Jim D. Atwood","Amine Attack on Coordinated Alkenes: An Interconversion from Anti-Markovnikoff to Markovnikoff Products","Journal of the American Chemical Society","2004","126","","12414","12420","10.1021/ja0469939","","","0.71073","MoKα","","0.028","0.022","","","0.0507","0.0529","","","","","","1.031","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112992","8.8157","0.0004","9.5186","0.0004","14.6356","0.0006","90.426","0.001","106.265","0.001","102.784","0.001","1146.58","0.09","90","1","90","1","","","","","","","","5","P -1","-P 1","2","cis-PtCl2(PPh3)(C6H12)","cis-PtCl2(PPh3)(C6H12)","","- C24 H27 Cl2 P Pt -","- C24 H27 Cl2 P Pt -","- C48 H54 Cl4 P2 Pt2 -","2","1","","Ruslan Pryadun; Dinesh Sukumaran; Robert Bogadi; Jim D. Atwood","Amine Attack on Coordinated Alkenes: An Interconversion from Anti-Markovnikoff to Markovnikoff Products","Journal of the American Chemical Society","2004","126","","12414","12420","10.1021/ja0469939","","","0.71073","MoKα","","0.0338","0.0307","","","0.0712","0.0729","","","","","","1.039","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112993","14.0345","0.0009","15.9137","0.001","17.6318","0.0011","90","","96.2392","0.0045","90","","3914.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H65 F14 N7 O7 Si2 -","- C24 H61 F14 N7 O7 Si2 -","- C96 H244 F56 N28 O28 Si8 -","4","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.1252","0.055","","","0.119","0.1405","","","","","","1.006","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112994","11.4033","0.0012","11.5662","0.0012","21.966","0.002","85.67","0.002","83.181","0.002","61.557","0.002","2528.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H51 I14 N7 -","- C24 H51 I14 N7 -","- C48 H102 I28 N14 -","2","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.0849","0.0756","","","0.189","0.1956","","","","","","1.083","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112995","11.2494","0.0008","16.2958","0.0012","21.1945","0.0019","78.3122","0.0027","85.1281","0.0032","82.6143","0.004","3766.3","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H120 Cl12 N14 O9 -","- C48 H101 Cl12 N14 O9 -","- C96 H202 Cl24 N28 O18 -","2","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.2643","0.142","","","0.3129","0.3553","","","","","","1.57","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112996","11.2538","0.0004","18.0137","0.0008","20.9088","0.0008","74.548","0.003","82.221","0.002","73.058","0.003","3900.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H116 Br14 N14 O6 -","- C48 H104 Br14 N14 O6 -","- C96 H208 Br28 N28 O12 -","2","1","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.219","0.1031","","","0.2198","0.2753","","","","","","1.231","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112997","16.3404","0.0023","16.3404","0.0023","28.0178","0.0027","90","","90","","120","","6478.7","1.4","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C69 H87 Cl6 N7 O12 S6 -","- C69 H81 Cl6 N7 O12 S6 -","- C207 H243 Cl18 N21 O36 S18 -","3","0.333333","","Christos A. Ilioudis; Derek A. Tocher; Jonathan W. Steed","A Highly Efficient, Preorganized Macrobicyclic Receptor for Halides Based on CH... and NH...Anion Interactions","Journal of the American Chemical Society","2004","126","","12395","12402","10.1021/ja047070g","","","0.71073","MoKα","","0.2773","0.2118","","","0.3166","0.3388","","","","","","1.498","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112998","8.974","0.002","12.086","0.002","17.068","0.003","68.88","0.05","80.04","0.05","79.18","0.05","1684.9","0.8","100","2","100","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","mesomorphic phenanthroline derivative","","","- C40 H36 N4 O8 -","- C40 H36 N4 O8 -","- C80 H72 N8 O16 -","2","1","","Raymond Ziessel; Guillaume Pickaert; Franck Camerel; Bertrand Donnio; Daniel Guillon; Michèle Cesario; Thierry Prangé","Tuning Organogels and Mesophases with Phenanthroline Ligands and Their Copper Complexes by Inter- to Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","12403","12413","10.1021/ja047091a","","","0.966","synchrotron","","0.0564","0.0556","","0.1495","","0.1465","","","1.032","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112999","15.89","0.003","16.327","0.003","17.777","0.003","79.5","0.05","72.02","0.05","73.9","0.05","4191","2","450","2","177","2","","","","","","","synthetic","6","P -1","-P 1","2","metallomesogen","","","- C88 H84 Cl Cu N12 O20 -","- C88 H84 Cl Cu N12 O20 -","- C176 H168 Cl2 Cu2 N24 O40 -","2","1","","Raymond Ziessel; Guillaume Pickaert; Franck Camerel; Bertrand Donnio; Daniel Guillon; Michèle Cesario; Thierry Prangé","Tuning Organogels and Mesophases with Phenanthroline Ligands and Their Copper Complexes by Inter- to Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2004","126","","12403","12413","10.1021/ja047091a","","","0.982","synchrotron","","0.1121","0.0992","","0.2659","","0.2417","","","1.089","","","1.135","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113000","9.2876","0.0009","19.4342","0.0019","13.2672","0.0014","90","","100.707","0.002","90","","2353","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H23 B11 Br6 -","- C9 H23 B11 Br6 -","- C36 H92 B44 Br24 -","4","1","","Tsuyoshi Kato; Evgenii Stoyanov; Jens Geier; Hansjörg Grützmacher; Christopher A. Reed","Alkylating Agents Stronger than Alkyl Triflates","Journal of the American Chemical Society","2004","126","","12451","12457","10.1021/ja047357d","","","0.71073","MoKα","","0.0496","0.0323","","","0.0716","0.0775","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113001","15.099","0.001","15.099","0.001","14.607","0.001","90","","90","","90","","3330.1","0.4","296.2","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H44 I N8 O14 Rh4 -","- C16 H40 I N8 O14 Rh4 -","- C64 H160 I4 N32 O56 Rh16 -","4","0.25","","Yasuhiro Fuma; Masahiro Ebihara; Shoichi Kutsumizu; Takashi Kawamura","A Diamondoid Network of Tetrakis(acetamidato)dirhodium in Mixed Oxidation States Linked by μ4-Iodide Having a 105 Enhancement of Its Electrical Conductivity by Water Molecules of Hydration","Journal of the American Chemical Society","2004","126","","12238","12239","10.1021/ja047421r","","","0.7107","MoKα","","","0.0279","","","","0.0547","","","","","","0.586","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113002","13.811","0.002","7.1564","0.0011","15.092","0.002","90","","90","","90","","1491.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.1227","0.0482","","","0.0818","0.0954","","","","","","0.79","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113003","7.5458","0.0007","20.8818","0.0019","15.2117","0.0014","90","","99.233","0.003","90","","2365.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N4 O7 -","- C25 H24 N4 O7 -","- C100 H96 N16 O28 -","4","1","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.2459","0.0681","","","0.0905","0.1378","","","","","","0.831","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113004","13.6912","0.0017","14.5859","0.0018","22.778","0.003","90","","98.165","0.002","90","","4502.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N4 O12 -","- C44 H58 N4 O12 -","- C176 H232 N16 O48 -","4","1","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.2541","0.0676","","","0.1673","0.21","","","","","","0.707","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113005","39.105","0.008","5.615","0.001","16.609","0.003","90","","97.007","0.005","90","","3619.7","1.2","120","","120","","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl-3,6-anhydro-2,4-di-O-benzyl-α-D-glucopyranoside","","- C21 H24 O5 -","- C21 H24 O5 -","- C168 H192 O40 -","8","2","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.035","","","","0.036","","","","","","0.92","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113006","13.295","0.002","5.6635","0.0008","14.117","0.002","90","","99.446","0.005","90","","1048.5","0.3","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","Pent-4'-enyl-3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside","","- C25 H30 O5 -","- C25 H30 O5 -","- C50 H60 O10 -","2","1","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.044","","","","0.041","","","","","","0.89","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113007","10.168","0.003","8.673","0.003","23.85","0.007","90","","100.382","0.005","90","","2068.8","1.1","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl-O-(3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside)-(1-6)-2,3,4-tri -O-benzyl-α-D-glucopyranoside","","- C48 H52 O10 -","- C48 H52 O10 -","- C96 H104 O20 -","2","1","","Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols","Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose","Journal of the American Chemical Society","2004","126","","12374","12385","10.1021/ja047476t","","","0.71073","MoKα","","","0.066","","","","0.068","","","","","","0.99","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113008","10.3733","0.0011","26.427","0.003","5.8341","0.0006","90","","90","","90","","1599.3","0.3","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.1056","0.0442","","","0.0732","0.0856","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113009","9.6247","0.0007","9.7637","0.0007","18.7912","0.0014","85.592","0.001","81.797","0.001","74.061","0.001","1679.3","0.2","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","2","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.201","0.1328","","","0.2251","0.2533","","","","","","1.22","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113010","38.704","0.004","7.4399","0.0008","5.9673","0.0006","90","","92.97","0.002","90","","1716","0.3","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H19 N O2 -","- C22.008 H19 N O2 -","- C88.032 H76 N4 O8 -","4","1","","Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang","Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes","Journal of the American Chemical Society","2004","126","","12325","12335","10.1021/ja047604d","","","0.71073","MoKα","","0.0511","0.0396","","","0.1094","0.1269","","","","","","1.08","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113011","12.0307","0.0007","12.9556","0.0007","13.9502","0.0008","90","","90","","90","","2174.3","0.2","156.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl2 N2 O2 Rh -","- C20 H29 Cl2 N2 O2 Rh -","- C80 H116 Cl8 N8 O8 Rh4 -","4","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0.0204","","","","0.0219","","","","","","0.795","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113012","9.0724","0.0007","12.273","0.001","9.8953","0.0008","90","","95.35","0.001","90","","1097","0.15","131.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl2 N2 O2 Rh -","- C20 H28 Cl2 N2 O2 Rh -","- C40 H56 Cl4 N4 O4 Rh2 -","2","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0.0376","","","","0.044","","","","","","1.303","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113013","20.69","0.003","8.419","0.001","16.06","0.002","90","","106.887","0.002","90","","2676.8","0.6","146.2","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H41 Cl2 N2 O2 Rh -","- C25.5 H37 Cl2 N2 O2 Rh -","- C102 H148 Cl8 N8 O8 Rh4 -","4","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0","","","","0.03","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113014","11.931","0.003","11.152","0.002","12.3422","0.0013","90","","90","","90","","1642.2","0.5","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl2 -","- C20 H24 Cl2 -","- C80 H96 Cl8 -","4","0.5","","Aswini K. Dash; Tryg R. Jensen; Charlotte L. Stern; Tobin J. Marks","Frustrated β-Chloride Elimination. Selective Arene Alkylation by α-Chloronorbornene Catalyzed by Electrophilic Metallocenium Ion Pairs","Journal of the American Chemical Society","2004","126","","12528","12540","10.1021/ja047828w","","","0.71073","MoKα","","0.0438","0.0381","","","0.1071","0.1134","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113015","17.53","0.03","17.53","0.03","8.28","0.01","90","","90","","90","","2544","7","107.1","","","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C20 H32 Br3 N2 O4 Sc -","- C20 H26 Br3 N2 O4 Sc -","- C80 H104 Br12 N8 O16 Sc4 -","4","0.5","","Shunpei Ishikawa; Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Catalytic Asymmetric Hydroxymethylation of Silicon Enolates Using an Aqueous Solution of Formaldehyde with a Chiral Scandium Complex","Journal of the American Chemical Society","2004","126","","12236","12237","10.1021/ja047896i","","","0.7107","MoKα","","","0.036","","","","0.103","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113016","15.195","0.003","12.41","0.003","12.884","0.003","90","","90","","90","","2429.5","0.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H18 N4 O6 -","- C30 H18 N4 O6 -","- C120 H72 N16 O24 -","4","0.5","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0944","0.0372","","","0.0494","0.0531","","","","","","0.937","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113017","9.7993","0.0002","11.1782","0.0002","11.544","0.0003","65.8541","0.0009","66.0412","0.0009","84.3268","0.0009","1051.02","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N3 O4 -","- C26 H17 N3 O4 -","- C52 H34 N6 O8 -","2","1","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0879","0.0418","","","0.1","0.1111","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113018","9.9786","0.0005","11.2659","0.0006","11.726","0.0007","66.493","0.004","64.985","0.003","85.724","0.003","1088.38","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O4 -","- C26 H21 N3 O4 -","- C52 H42 N6 O8 -","2","1","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.1816","0.0759","","","0.1691","0.2149","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113019","14.892","0.003","12.445","0.003","13.425","0.003","90","","90","","90","","2488.1","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H24 N4 O6 -","- C30 H24 N4 O6 -","- C120 H96 N16 O24 -","4","0.5","","Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li","Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior","Journal of the American Chemical Society","2004","126","","12200","12201","10.1021/ja0487527","","","0.71073","MoKα","","0.0858","0.0371","","","0.074","0.0798","","","","","","0.808","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113020","13.0374","0.0006","17.7859","0.0008","21.103","0.001","90","","93.38","0.001","90","","4884.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Na10 O64 Ru W9 Zn4 -","- Na10 O114.46 Ru1.22 W18.758 Zn4 -","- Na20 O228.92 Ru2.44 W37.516 Zn8 -","2","0.5","","Annette R. Howells; Anand Sankarraj; Curtis Shannon","A Diruthenium-Substituted Polyoxometalate as an Electrocatalyst for Oxygen Generation","Journal of the American Chemical Society","2004","126","","12258","12259","10.1021/ja0495821","","","0.71073","MoKα","","0.0475","0.038","","","0.0893","0.0918","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113021","16.517","0.005","6.0509","0.0016","9.311","0.003","90","","94.738","0.005","90","","927.4","0.5","93","1","93","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 N3 O2 -","- C7 H15 N3 O2 -","- C28 H60 N12 O8 -","4","1","","Joseph E. Saavedra; D. Scott Bohle; Kamilah N. Smith; Clifford George; Jeffrey R. Deschamps; Damon Parrish; Joseph Ivanic; Yan-Ni Wang; Michael L. Citro; Larry K. Keefer","Chemistry of the Diazeniumdiolates. O- versus N-Alkylation of the RNH[N(O)NO]- Ion","Journal of the American Chemical Society","2004","126","","12880","12887","10.1021/ja031538i","","","0.71073","MoKα","","0.0858","0.0425","","","0.094","0.1317","","","","","","0.921","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113022","11.491","0.0003","14.915","0.0007","15.127","0.0008","75.323","0.0016","79.813","0.0014","74.796","0.003","2403.22","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","IJR-I-97","IJR-I-97","","- C57 H73 N2 O2 -","- C57 H73 N2 O2 -","- C114 H146 N4 O4 -","2","1","","Ian J. Rhile; James M. Mayer","One-Electron Oxidation of a Hydrogen-Bonded Phenol Occurs by Concerted Proton-Coupled Electron Transfer","Journal of the American Chemical Society","2004","126","","12718","12719","10.1021/ja031583q","","","0.71073","MoKα","","0.1067","0.0585","","","0.1233","0.1414","","","","","","1.003","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113023","8.5795","0.0012","9.5772","0.0014","13.1432","0.0019","103.121","0.002","108.284","0.002","102.713","0.002","947.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C38 H46 N2 O12 -","2","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.053","0.043","","","0.1189","0.1276","","","","","","1.05","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113024","6.7048","0.0013","13.522","0.003","19.685","0.004","90","","90","","90","","1784.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.055","0.0383","","","0.1027","0.1149","","","","","","0.833","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4113025","8.9567","0.0018","10.444","0.002","11.475","0.002","99.06","0.03","104.61","0.03","99.54","0.03","1001.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.0667","0.0422","","","0.1134","0.1264","","","","","","0.823","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113026","12.0473","0.0002","12.7355","0.0004","20.3952","0.0001","76.653","0.008","71.024","0.007","85.812","0.009","2879.21","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H100 P Pd Si6 -","- C49 H93 P Pd Si6 -","- C98 H186 P2 Pd2 Si12 -","2","1","","Mitsuo Kira; Yumiko Sekiguchi; Takeaki Iwamoto; Chizuko Kabuto","14-Electron Disilene Palladium Complex Having Strong π-Complex Character","Journal of the American Chemical Society","2004","126","","12778","12779","10.1021/ja046354y","","","0.7107","MoKα","","0.062","0.0463","","","0.0903","0.0962","","","","","","1.07","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113027","16.051","0.003","10.755","0.002","27.697","0.006","90","","90.38","0.03","90","","4781.2","1.6","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 F18 O6 -","- C54 H24 F18 O6 -","- C216 H96 F72 O24 -","4","1","","Bryan K. Spraul; S. Suresh; Sibylle Glaser; Dvora Perahia; John Ballato; Dennis W. Smith","Perfluorocyclobutyl-Linked Hexa-peri-hexabenzocoronene Networks","Journal of the American Chemical Society","2004","126","","12772","12773","10.1021/ja046855j","","","0.71073","MoKα","","0.1016","0.0758","","","0.2107","0.2374","","","","","","1.019","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113028","12.3741","0.001","48.753","0.004","24.198","0.002","90","","93.262","0.002","90","","14574","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H62 N12 O15.75 Re4 -","- C75 H62 N12 O15.75 Re4 -","- C600 H496 N96 O126 Re32 -","8","2","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.1801","0.0783","","","0.1222","0.149","","","","","","0.968","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113029","13.83","0.003","13.299","0.003","19.931","0.005","90","","101.335","0.004","90","","3594.3","1.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H14 Cl N6 O6 Re2 -","- C27.5 H14 Cl N6 O6 Re2 -","- C110 H56 Cl4 N24 O24 Re8 -","4","1","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.0855","0.0527","","","0.1426","0.1654","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113030","30.8925","0.0011","30.8925","0.0011","26.6992","0.0013","90","","90","","90","","25480.3","1.8","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C64 H32 N20 O12 Re4 -","- C64 H32 N20 O12 Re4 -","- C512 H256 N160 O96 Re32 -","8","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71069","MoKα","","0.1555","0.0655","","","0.2085","0.2873","","","","","","1.027","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113031","12.401","0.004","11.578","0.003","26.649","0.008","90","","97.184","0.005","90","","3796.2","1.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H47 Cl4 N12 O14 Re4 -","- C78 H48 Cl4 N12 O14 Re4 -","- C156 H96 Cl8 N24 O28 Re8 -","2","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.0811","0.0496","","","0.1236","0.1451","","","","","","1.065","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113032","10.9266","0.0019","22.014","0.004","29.322","0.005","90","","91.42","0.003","90","","7051","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C135.5 H36 N16 O20 Re4 -","- C135.57 H36 N16 O20 Re4 -","- C271.14 H72 N32 O40 Re8 -","2","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71069","MoKα","","0.0884","0.0508","","","0.1376","0.1604","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113033","11","0.003","22.681","0.007","19.552","0.006","90","","94.151","0.005","90","","4865","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H52 N16 O24 Re4 S2 -","- C94.15 H52 N16 O24.15 Re4 S2 -","- C188.3 H104 N32 O48.3 Re8 S4 -","2","0.5","","Peter H. Dinolfo; Mary Elizabeth Williams; Charlotte L. Stern; Joseph T. Hupp","Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer","Journal of the American Chemical Society","2004","126","","12989","13001","10.1021/ja0473182","","","0.71073","MoKα","","0.1538","0.064","","","0.1535","0.1795","","","","","","0.875","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113034","9.321","0.002","10.154","0.002","14.304","0.002","71.15","0.03","80.85","0.03","73.12","0.03","1222.8","0.5","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl3 N2 S2 -","- C25 H21 Cl3 N2 S2 -","- C50 H42 Cl6 N4 S4 -","2","1","","Vivian Wing-Wah Yam; Chi-Chiu Ko; Nianyong Zhu","Photochromic and Luminescence Switching Properties of a Versatile Diarylethene-Containing 1,10-Phenanthroline Ligand and Its Rhenium(I) Complex","Journal of the American Chemical Society","2004","126","","12734","12735","10.1021/ja047446q","","","0.71069","MoKα","","0.0568","0.0462","","","0.1406","0.146","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113035","17.061","0.0015","11.299","0.001","8.3845","0.0007","90","","110.078","0.001","90","","1518.1","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H5 Cu N2 -","- C4 H5 Cu N2 -","- C48 H60 Cu12 N24 -","12","1.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0349","0.0314","","","0.0808","0.0829","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113036","20.76","0.0014","10.8497","0.0007","21.0042","0.0014","90","","90","","90","","4731","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C39 H48 Cu8 N16 -","- C39 H48 Cu8 N16 -","- C156 H192 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0531","0.0431","","","0.0936","0.0978","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113037","14.4446","0.0011","27.559","0.002","11.9914","0.0009","90","","126.775","0.001","90","","3823.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C56 H70 Cu10 N20 -","- C56 H70 Cu10 N20 -","- C112 H140 Cu20 N40 -","2","0.25","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.102","0.0592","","","0.1596","0.1869","","","","","","0.994","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113038","20.8478","0.0014","10.8591","0.0007","20.9398","0.0014","90","","90","","90","","4740.5","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H46 Cu8 N16 -","- C38 H46 Cu8 N16 -","- C152 H184 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0377","0.0339","","","0.0796","0.0813","","","","","","1.05","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113039","20.8445","0.0013","10.8978","0.0007","20.9081","0.0013","90","","90","","90","","4749.5","0.5","123","2","123","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C38 H52 Cu8 N16 -","- C38 H52 Cu8 N16 -","- C152 H208 Cu32 N64 -","4","0.5","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0304","0.0285","","","0.0797","0.0805","","","","","","1.085","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113040","14.8055","0.0014","27.853","0.003","11.4508","0.0011","90","","126.013","0.002","90","","3819.6","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C60 H66 Cu10 N20 -","- C60.17 H66.14 Cu10 N20 -","- C120.34 H132.28 Cu20 N40 -","2","0.25","","Xiao-Chun Huang; Jie-Peng Zhang; Xiao-Ming Chen","A New Route to Supramolecular Isomers via Molecular Templating: Nanosized Molecular Polygons of Copper(I) 2-Methylimidazolates","Journal of the American Chemical Society","2004","126","","13218","13219","10.1021/ja045249l","","","0.71073","MoKα","","0.0656","0.0512","","","0.1623","0.173","","","","","","1.08","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113041","10.947","0.003","20.288","0.005","23.757","0.006","105.772","0.004","96.529","0.004","90.526","0.004","5040","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H48 Br0 Cl Cr N2 O4 -","- C50 H48 Cl Cr N2 O4 -","- C200 H192 Cl4 Cr4 N8 O16 -","4","2","","Norito Takenaka; Guoyao Xia; Hisashi Yamamoto","Catalytic, Highly Enantio- and Diastereoselective Pinacol Coupling Reaction with a New Tethered Bis(8-quinolinolato) Ligand","Journal of the American Chemical Society","2004","126","","13198","13199","10.1021/ja045430u","","","0.71073","MoKα","","0.1535","0.0831","","","0.2102","0.2314","","","","","","0.931","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113042","20.723","0.006","15.213","0.004","28.909","0.008","90","","90","","90","","9114","4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H72 O4 P2 Ru2 S2 -","- C43 H72 O4 P2 Ru2 S2 -","- C344 H576 O32 P16 Ru16 S16 -","8","1","","Aaron K. Justice; Rachel C. Linck; Thomas B. Rauchfuss; Scott R. Wilson","Dihydrogen Activation by a Diruthenium Analogue of the Fe-Only Hydrogenase Active Site","Journal of the American Chemical Society","2004","126","","13214","13215","10.1021/ja0455594","","","0.71073","MoKα","","0.0623","0.0324","","","0.0625","0.068","","","","","","0.925","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113043","15.304","0.004","18.602","0.004","19.048","0.004","75.717","0.004","86.966","0.005","89.78","0.004","5247","2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 O3 P2 Ru2 S2 -","- C48 H88 O3 P2 Ru2 S2 -","- C192 H352 O12 P8 Ru8 S8 -","4","2","","Aaron K. Justice; Rachel C. Linck; Thomas B. Rauchfuss; Scott R. Wilson","Dihydrogen Activation by a Diruthenium Analogue of the Fe-Only Hydrogenase Active Site","Journal of the American Chemical Society","2004","126","","13214","13215","10.1021/ja0455594","","","0.71073","MoKα","","0.1727","0.0603","","","0.0998","0.1222","","","","","","0.853","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113044","14.157","0.007","15.14","0.007","16.707","0.008","70.865","0.016","87.95","0.02","69.166","0.013","3149","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","BpqSeNO","","","- C72 H83 N O Se -","- C72 H83 N O Se -","- C144 H166 N2 O2 Se2 -","2","1","","Keiichi Shimada; Kei Goto; Takayuki Kawashima; Nozomi Takagi; Yoong-Kee Choe; Shigeru Nagase","Isolation of a Se-Nitrososelenol: A New Class of Reactive Nitrogen Species Relevant to Protein Se-Nitrosation","Journal of the American Chemical Society","2004","126","","13238","13239","10.1021/ja0457009","","","0.7107","MoKα","","0.0721","0.0572","","","0.1433","0.1546","","","","","","1.074","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113045","10.5775","0.0009","10.6288","0.0009","21.2014","0.0018","94.24","0.001","93","0.001","119.206","0.001","2064.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H51 Cl Co N9 O -","- C44 H51 Cl Co N9 O -","- C88 H102 Cl2 Co2 N18 O2 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.0429","0.0367","","","0.0903","0.0939","","","","","","1.033","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113046","10.667","0.002","10.702","0.002","20.707","0.004","87.212","0.003","83.314","0.003","60.477","0.003","2042.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H45 Cl2 Co N7 O S -","- C41 H45 Cl2 Co N7 O S -","- C82 H90 Cl4 Co2 N14 O2 S2 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.0732","0.0618","","","0.1654","0.1724","","","","","","1.071","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113047","23.7912","0.0019","11.5916","0.0009","27.394","0.002","90","","94.84","0.001","90","","7527.7","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C91 H91 B2 Co N9 -","- C91 H91 B2 Co N9 -","- C364 H364 B8 Co4 N36 -","4","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.0736","0.0491","","","0.1065","0.1155","","","","","","1.049","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113048","13.6","0.002","14.788","0.003","16.356","0.003","95.254","0.003","109.027","0.003","106.392","0.003","2921.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H65 B Co N7 O2 -","- C63 H65 B Co N7 O2 -","- C126 H130 B2 Co2 N14 O4 -","2","1","","Xile Hu; Ingrid Castro-Rodriguez; Karsten Meyer","Dioxygen Activation by a Low-Valent Cobalt Complex Employing a Flexible Tripodal N-Heterocyclic Carbene Ligand","Journal of the American Chemical Society","2004","126","","13464","13473","10.1021/ja046048k","","","0.71073","MoKα","","0.1071","0.065","","","0.1356","0.1483","","","","","","0.953","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113049","11.1582","0.0002","10.6203","0.0002","17.8002","0.0003","90","","90","","90","","2109.38","0.07","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0684","0.0464","","","0.1001","0.1059","","","","","","1.062","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113050","11.1678","0.0002","10.6508","0.0002","17.8355","0.0003","90","","90","","90","","2121.46","0.07","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0784","0.047","","","0.096","0.1037","","","","","","1.057","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113051","11.1782","0.0002","10.6868","0.0003","17.8841","0.0003","90","","90","","90","","2136.42","0.08","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.0925","0.0482","","","0.0943","0.1047","","","","","","1.041","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113052","11.1901","0.0002","10.7272","0.0002","17.9468","0.0003","90","","90","","90","","2154.31","0.07","250","2","250","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1089","0.05","","","0.0959","0.1088","","","","","","1.027","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113053","11.1993","0.0002","10.7714","0.0004","18.0199","0.0003","90","","90","","90","","2173.78","0.1","300","2","300","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1322","0.0528","","","0.0973","0.1149","","","","","","0.979","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113054","11.2122","0.0003","10.8006","0.0003","18.0743","0.0005","90","","90","","90","","2188.77","0.1","330","2","330","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Oded Godsi; Boaz Turner; Kinga Suwinska; Uri Peskin; Yoav Eichen","Enol-Enamine Tautomerism in Crystals of 1,3-Bis(pyridin-2-yl) Propan-2-one: A Combined Crystallographic and Quantum-Chemical Investigation of the Effect of Packing on Tautomerization Processes","Journal of the American Chemical Society","2004","126","","13519","13525","10.1021/ja046311h","","","0.71073","MoKα","","0.1548","0.0539","","","0.0949","0.1177","","","","","","0.942","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113055","6.6426","0.0002","11.3188","0.0004","22.6559","0.001","90","","92.6239","0.0015","90","","1701.63","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co3 N2 O12 -","- C14 H12 Co3 N2 O12 -","- C56 H48 Co12 N8 O48 -","4","1","","Simon M. Humphrey; Paul T. Wood","Multiple Areas of Magnetic Bistability in the Topological Ferrimagnet [Co3(NC5H3(CO2)2-2,5)2(μ3-OH)2(OH2)2]","Journal of the American Chemical Society","2004","126","","13236","13237","10.1021/ja046351l","","","0.71073","MoKα","","0.0941","0.072","","","0.158","0.1696","","","","","","1.077","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113056","16.0055","0.0009","11.2575","0.0006","34.1472","0.0019","90","","101.152","0.001","90","","6036.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Ir N O2 P2 -","- C30 H48 Ir N O2 P2 -","- C240 H384 Ir8 N8 O16 P16 -","8","2","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0303","0.0253","","","0.0543","0.0559","","","","","","1.003","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113057","12.3806","0.0011","17.1783","0.0016","14.0018","0.0013","90","","94.535","0.002","90","","2968.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H48 Ir N O2 P2 -","- C30 H48 Ir N O2 P2 -","- C120 H192 Ir4 N4 O8 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0808","0.0452","","","0.097","0.111","","","","","","1.008","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113058","19.4491","0.0009","10.485","0.0005","15.5406","0.0007","90","","100.886","0.001","90","","3112.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir O P2 -","- C32 H51 Ir O P2 -","- C128 H204 Ir4 O4 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0227","0.0198","","","0.0471","0.0482","","","","","","1.035","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113059","16.0141","0.0008","13.3238","0.0006","14.9154","0.0007","90","","105.463","0.001","90","","3067.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir O P2 -","- C32 H51 Ir O P2 -","- C128 H204 Ir4 O4 P8 -","4","1","","Xiawei Zhang; Mira Kanzelberger; Thomas J. Emge; Alan S. Goldman","Selective Addition to Iridium of Aryl C-H Bonds Ortho to Coordinating Groups. Not Chelation-Assisted","Journal of the American Chemical Society","2004","126","","13192","13193","10.1021/ja046476q","","","0.71073","MoKα","","0.0274","0.0233","","","0.0564","0.0584","","","","","","1.038","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113060","6.469","0.004","10.934","0.006","13.371","0.009","73.9","0.02","88.25","0.03","76.29","0.02","882.1","0.9","193.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 F3 O2 -","- C20 H21 F3 O2 -","- C40 H42 F6 O4 -","2","1","","Yoshimitsu Itoh; Masahiro Yamanaka; Koichi Mikami","Direct Generation of Ti-Enolate of α-CF3 Ketone: Theoretical Study and High-Yielding and Diastereoselective Aldol Reaction","Journal of the American Chemical Society","2004","126","","13174","13175","10.1021/ja046518a","","","0.7107","MoKα","","","0.096","","","","0.162","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113061","9.7983","0.001","9.4257","0.001","17.9186","0.0019","90","","92.743","0.002","90","","1653","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H48 Cl N4 O2 Rh -","- C35 H48 Cl N4 O2 Rh -","- C70 H96 Cl2 N8 O4 Rh2 -","2","1","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0322","0.0297","","","0.0707","0.0725","","","","","","1.042","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113062","8.0332","0.0002","13.2741","0.0003","9.5148","0.0002","90","","107.835","0.001","90","","965.84","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H29 F6 N4 P -","- C15 H29 F6 N4 P -","- C30 H58 F12 N8 P2 -","2","1","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0266","0.0257","","","0.0688","0.0697","","","","","","1.033","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113063","13.2635","0.001","17.8218","0.0014","21.0178","0.0017","90","","90","","90","","4968.2","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Cl N4 Rh -","- C23 H40 Cl N4 Rh -","- C184 H320 Cl8 N32 Rh8 -","8","2","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0434","0.0308","","","0.0762","0.0825","","","","","","1.023","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113064","13.691","0.002","13.691","0.002","13.691","0.002","90","","90","","90","","2566.3","0.6","293","2","293","2","","","","","","","synthesis","3","P m -3 m","-P 4 2 3","221","itq21_calcined","structure solved from laboratory powder diffraction data","","- Ge14.83 O71.64 Si20.82 -","- Ge14.832 O71.64 Si20.816 -","- Ge14.832 O71.64 Si20.816 -","1","0.0208333","","Teresa Blasco; Avelino Corma; Maria José Díaz-Cabañas; Fernando Rey; Jordi Rius; German Sastre; José A. Vidal-Moya","Synthesis, Characterization, and Framework Heteroatom Localization in ITQ-21","Journal of the American Chemical Society","2004","126","","13414","13423","10.1021/ja047990z","","x-ray","1.54059","CuKa12","","0.059","0.059","","0.073","0.073","","","","2.7","2.7","2.7","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113065","27.696","","27.696","","27.696","","90","","90","","90","","21244.7","","293","2","293","2","","","","","","","synthesis","7","F m -3 c","-F 4a 2 3","226","itq21_as-synthesised","ITQ-21 as synthesised, ref. number: itq21-653","","- C384 H696 F24 Ge120 N48 O576 Si168 -","- F23.616 Ge288.192 O573.12 Si19.456 -","- F23.616 Ge288.192 O573.12 Si19.456 -","1","0.00520833","","Teresa Blasco; Avelino Corma; Maria José Díaz-Cabañas; Fernando Rey; Jordi Rius; German Sastre; José A. Vidal-Moya","Synthesis, Characterization, and Framework Heteroatom Localization in ITQ-21","Journal of the American Chemical Society","2004","126","","13414","13423","10.1021/ja047990z","","","0.9611","monochromatic","","0.07","0.07","","0.0912","0.0912","","","","1.008","1.008","1.008","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113066","30.052","0.004","30.052","0.004","42.551","0.009","90","","90","","90","","38429","11","100","2","100","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","Cuboctahedron","","","- C66 H100 O40 Pr3.75 S6 -","- C48 H26.6667 O34.3911 Pr2.22222 S6.22222 -","- C864 H480 O619.04 Pr40 S112 -","18","1.125","","Jerry L. Atwood; Leonard J. Barbour; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston; Helen R. Webb","Toward Mimicking Viral Geometry with Metal-Organic Systems","Journal of the American Chemical Society","2004","126","","13170","13171","10.1021/ja048058r","","","0.71073","MoKα","","0.3276","0.291","","","0.6052","0.6174","","","","","","4.674","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113067","14.806","0.005","13.179","0.004","24.417","0.007","90","","97.738","0.013","90","","4721","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Fluoxetine hydrochloride:benzoic acid cocrystal (1:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride benzoic acid","","- C24 H25 Cl F3 N O3 -","- C24 H25 Cl F3 N O3 -","- C192 H200 Cl8 F24 N8 O24 -","8","2","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","0.71073","MoKα","","0.133","0.0852","","","0.193","0.2165","","","","","","1.052","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113068","26.6914","0.0008","7.1807","0.0003","20.6546","0.0007","90","","90","","90","","3958.7","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Fluoxetine hydrochloride:fumaric acid cocrystal (2:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride fumaric acid","","- C38 H42 Cl2 F6 N2 O6 -","- C38 H42 Cl2 F6 N2 O6 -","- C152 H168 Cl8 F24 N8 O24 -","4","0.5","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","1.54178","CuKα","","0.0941","0.047","","","0.0927","0.1202","","","","","","1.004","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113069","26.62","0.002","7.2147","0.0007","20.8315","0.0019","90","","90","","90","","4000.8","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Fluoxetine hydrochloride:succinic acid cocrystal (2:1)","N-Methyl-g-((4-trifluoromethyl)phenoxy)-benzenepropanamine hydrochloride succinic acid","","- C38 H44 Cl2 F6 N2 O6 -","- C38 H44 Cl2 F6 N2 O6 -","- C152 H176 Cl8 F24 N8 O24 -","4","0.5","","Scott L. Childs; Leonard J. Chyall; Jeanette T. Dunlap; Valeriya N. Smolenskaya; Barbara C. Stahly; G. Patrick Stahly","Crystal Engineering Approach To Forming Cocrystals of Amine Hydrochlorides with Organic Acids. Molecular Complexes of Fluoxetine Hydrochloride with Benzoic, Succinic, and Fumaric Acids","Journal of the American Chemical Society","2004","126","","13335","13342","10.1021/ja048114o","","","0.71073","MoKα","","0.0892","0.0767","","","0.1855","0.1928","","","","","","1.195","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113070","8.1571","0.00013","8.1571","","8.1571","","90","","90","","90","","542.759","0.009","","","","","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- Li0.25 Mg0.03 Mn0.39 Ni0.09 O -","- Li0.246248 Mg0.025 Mn0.385456 Ni0.0895438 O -","- Li7.87992 Mg0.8 Mn12.3346 Ni2.8654 O32 -","32","1.33333","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113071","5.7375","0.0003","5.7375","","8.6575","0.0014","90","","90","","90","","285","0.05","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Li0.6 Mg0.03 Mn0.44 Ni0.03 O -","- Li0.59903 Mg0.025 Mn0.443845 Ni0.031155 O -","- Li9.58448 Mg0.4 Mn7.10152 Ni0.49848 O16 -","16","0.5","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113072","5.7175","0.0005","5.7175","","8.9936","0.0011","90","","90","","90","","294","0.04","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Li0.45 Mg0.03 Mn0.34 Ni0.14 O -","- Li0.451555 Mg0.025 Mn0.33928 Ni0.13572 O -","- Li7.22488 Mg0.4 Mn5.42848 Ni2.17152 O16 -","16","0.5","","Marnix Wagemaker; Frans G. B. Ooms; Erik M. Kelder; Joop Schoonman; Fokko M. Mulder","Extensive Migration of Ni and Mn by Lithiation of Ordered LiMg0.1Ni0.4Mn1.5O4 Spinel","Journal of the American Chemical Society","2004","126","","13526","13533","10.1021/ja048319x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113073","35.876","0.009","6.019","0.001","20.131","0.005","90","","94.495","0.004","90","","4333.7","1.7","153.2","","153.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 F26 S4 Si2 -","- C34 H24 F26 S4 Si2 -","- C136 H96 F104 S16 Si8 -","4","0.5","","Antonio Facchetti; Myung-Han Yoon; Charlotte L. Stern; Geoffrey R. Hutchison; Mark A. Ratner; Tobin J. Marks","Building Blocks for N-Type Molecular and Polymeric Electronics. Perfluoroalkyl- versus Alkyl-Functionalized Oligothiophenes (nTs; n= 2-6). Systematic Synthesis, Spectroscopy, Electrochemistry, and Solid-State Organization","Journal of the American Chemical Society","2004","126","","13480","13501","10.1021/ja048988a","","","0.7107","MoKα","","0.069","0.059","","0.2004","","0.143","","","1.285","","","1.86","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113074","12.027","0.002","27.228","0.005","12.927","0.002","90","","95.966","0.004","90","","4210.3","1.2","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H43 Br O6 -","- C50 H43 Br O6 -","- C200 H172 Br4 O24 -","4","1","","Baudouin Gerard; Guilford Jones; John A. Porco","A Biomimetic Approach to the Rocaglamides Employing Photogeneration of Oxidopyryliums Derived from 3-Hydroxyflavones","Journal of the American Chemical Society","2004","126","","13620","13621","10.1021/ja044798o","","","0.71073","MoKα","","0.2038","0.0655","","","0.1101","0.1455","","","","","","0.998","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113075","25.4111","0.001","16.5031","0.0006","16.4599","0.0006","90","","106.677","0.001","90","","6612.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Br2 O6 -","- C38 H28 Br2 O6 -","- C304 H224 Br16 O48 -","8","2","","Baudouin Gerard; Guilford Jones; John A. Porco","A Biomimetic Approach to the Rocaglamides Employing Photogeneration of Oxidopyryliums Derived from 3-Hydroxyflavones","Journal of the American Chemical Society","2004","126","","13620","13621","10.1021/ja044798o","","","0.71073","MoKα","","0.094","0.0459","","","0.1001","0.1169","","","","","","1.022","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113076","6.6701","0.0007","12.0093","0.0016","21.684","0.003","90","","92.974","0.009","90","","1734.6","0.4","210","2","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,15-Bis(1,3-dithanyl)-10,20-diphenylporphyrin","","- C40 H34 N4 S4 -","- C40 H34 N4 S4 -","- C80 H68 N8 S8 -","2","0.5","","Mathias O. Senge; Sabine S. Hatscher; Arno Wiehe; Katja Dahms; Andrea Kelling","The Dithianyl Group as a Synthon in Porphyrin Chemistry: Condensation Reactions and Preparation of Formylporphyrins under Basic Conditions","Journal of the American Chemical Society","2004","126","","13634","13635","10.1021/ja045223u","","","0.71073","MoKα","","0.125","0.0581","","","0.0994","0.1166","","","","","","0.891","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113077","9.5709","0.0015","17.391","0.003","20.501","0.003","90","","90","","90","","3412.3","0.9","173.5","","173.5","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H51 Mo N2 O3 P -","- C34 H51 Mo N2 O3 P -","- C136 H204 Mo4 N8 O12 P4 -","4","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.0904","0.0442","","","0.0735","0.0846","","","","","","0.933","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113078","17.1829","0.0015","13.0958","0.0011","27.663","0.002","90","","90","","90","","6224.8","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Mo O4 P -","- C32 H39 Mo O4 P -","- C256 H312 Mo8 O32 P8 -","8","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.1836","0.0651","","","0.1084","0.1428","","","","","","0.944","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113079","20.947","0.002","10.4889","0.001","11.5591","0.0012","90","","102.708","0.002","90","","2477.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 F Mo O2 P -","- C25 H34 F Mo O2 P -","- C100 H136 F4 Mo4 O8 P4 -","4","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.1285","0.0567","","","0.0852","0.1031","","","","","","0.969","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113080","9.2708","0.0003","12.0224","0.0004","14.3208","0.0005","84.894","0.001","77.062","0.001","75.535","0.001","1505.4","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H43 Mo O3 P -","- C31.5 H39 Mo O3 P -","- C63 H78 Mo2 O6 P2 -","2","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.0286","0.0241","","","0.0594","0.0602","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113081","12.8595","0.0007","16.945","0.001","17.3999","0.001","94.467","0.001","92.188","0.001","107.83","0.001","3590.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H90 Cl2 O12 -","- C76 H88 O12 -","- C152 H176 O24 -","2","1","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis of a Calix[4]arene Derivative for Isolation of a Stable Cation Radical Salt for Use as a Colorimetric Sensor of Nitric Oxide","Journal of the American Chemical Society","2004","126","","13582","13583","10.1021/ja0454900","","","0.71073","MoKα","","0.0866","0.0586","","","0.1454","0.1565","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113082","17.7568","0.0006","19.4998","0.0007","22.7932","0.0008","90","","90","","90","","7892.2","0.5","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C78 H92 Cl10 N O13 Sb -","- C76 H88 Cl6 N O13 Sb -","- C304 H352 Cl24 N4 O52 Sb4 -","4","0.5","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis of a Calix[4]arene Derivative for Isolation of a Stable Cation Radical Salt for Use as a Colorimetric Sensor of Nitric Oxide","Journal of the American Chemical Society","2004","126","","13582","13583","10.1021/ja0454900","","","0.71073","MoKα","","0.033","0.0313","","","0.0732","0.0738","","","","","","1.051","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113083","7.5396","0.0016","13.197","0.003","14.701","0.003","92.045","0.004","93.378","0.004","98.745","0.004","1441.8","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 O8 -","- C34 H36 O8 -","- C68 H72 O16 -","2","1","","James B. Beil; N. Gabriel Lemcoff; Steven C. Zimmerman","On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis","Journal of the American Chemical Society","2004","126","","13576","13577","10.1021/ja045885j","","","0.71073","MoKα","","0.1036","0.0516","","","0.1304","0.1433","","","","","","1.036","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113084","8.557","0.0017","13.017","0.003","14.182","0.003","95.851","0.004","94.257","0.004","103.649","0.004","1519.2","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 O8 -","- C34 H36 O8 -","- C68 H72 O16 -","2","1","","James B. Beil; N. Gabriel Lemcoff; Steven C. Zimmerman","On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis","Journal of the American Chemical Society","2004","126","","13576","13577","10.1021/ja045885j","","","0.71073","MoKα","","0.1061","0.0397","","","0.0693","0.0818","","","","","","0.833","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113085","11.6076","0.0005","17.6809","0.0007","27.2021","0.0011","90","","90","","90","","5582.8","0.4","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H20 Cl3 N3 O3 Ru -","- C31 H20 Cl3 N3 O3 Ru -","- C248 H160 Cl24 N24 O24 Ru8 -","8","1","","Howard Bregman; Douglas S. Williams; G. Ekin Atilla; Patrick J. Carroll; Eric Meggers","An Organometallic Inhibitor for Glycogen Synthase Kinase 3","Journal of the American Chemical Society","2004","126","","13594","13595","10.1021/ja046049c","","","0.71069","MoKα","","0.0508","0.0461","","","0.1225","0.1278","","","","","","1.042","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113086","6.2223","0.0013","11.473","0.003","24.811","0.006","90","","90","","90","","1771.2","0.7","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Qi-Ying Hu; Gang Zhou; E. J. Corey","Application of Chiral Cationic Catalysts to Several Classical Syntheses of Racemic Natural Products Transforms Them into Highly Enantioselective Pathways","Journal of the American Chemical Society","2004","126","","13708","13713","10.1021/ja046154m","","","0.71073","MoKα","","0.0607","0.0517","","","0.112","0.1159","","","","","","1.13","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113087","9.743","0.002","10.973","0.002","11.164","0.002","82.128","0.003","82.136","0.003","83.161","0.003","1165","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","03046","","","- C26 H24 Co O4 P -","- C26 H24 Co O4 P -","- C52 H48 Co2 O8 P2 -","2","1","","Donald J. Darensbourg; Andrea L. Phelps; Nathalie Le Gall; Li Jia","Mechanistic Studies of the Copolymerization Reaction of Aziridines and Carbon Monoxide to Produce Poly-β-peptoids","Journal of the American Chemical Society","2004","126","","13808","13815","10.1021/ja046225h","","","0.71073","MoKα","","0.0436","0.0353","","","0.0932","0.0987","","","","","","1.017","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113088","9.41","0.03","9.43","0.03","11.98","0.03","88.45","0.05","76.11","0.05","84.76","0.05","1028","5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Co O4 P -","- C23 H18 Co O4 P -","- C46 H36 Co2 O8 P2 -","2","1","","Donald J. Darensbourg; Andrea L. Phelps; Nathalie Le Gall; Li Jia","Mechanistic Studies of the Copolymerization Reaction of Aziridines and Carbon Monoxide to Produce Poly-β-peptoids","Journal of the American Chemical Society","2004","126","","13808","13815","10.1021/ja046225h","","","0.71073","MoKα","","0.0925","0.0784","","","0.2387","0.2645","","","","","","1.055","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113089","8.8433","0.0009","19.2251","0.0019","5.7426","0.0005","90","","90","","90","","976.32","0.16","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","","Alice E. Lurain; Aaron Maestri; Ann Rowley Kelly; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Synthesis of Acyclic Epoxy Alcohols with Three Contiguous Stereocenters","Journal of the American Chemical Society","2004","126","","13608","13609","10.1021/ja046750g","","","0.71069","MoKα","","0.0302","0.0292","","","0.0718","0.0728","","","","","","1.12","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113090","43.276","0.002","43.276","0.002","12.6051","0.001","90","","90","","120","","20444","2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C52 H65 Fe N3 -","- C52 H65 Fe N3 -","- C936 H1170 Fe18 N54 -","18","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1136","0.0616","","","0.1605","0.187","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113091","18.3719","0.0018","16.5295","0.0014","37.716","0.004","90","","95.918","0.004","90","","11392.5","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C103 H137 Cl17 N9 Sc3 -","- C34.3333 H45 Cl5.66667 N3 Sc -","- C412 H540 Cl68 N36 Sc12 -","12","3","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1388","0.0683","","","0.1448","0.1721","","","","","","0.991","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113092","13.618","0.0006","12.4246","0.0005","26.3319","0.001","90","","102.024","0.001","90","","4357.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H59 Fe N3 Si2 -","- C46.5 H59 Fe N3 Si2 -","- C186 H236 Fe4 N12 Si8 -","4","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.092","0.0481","","","0.1013","0.1167","","","","","","1.024","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113093","8.5667","0.0011","8.8933","0.0011","22.409","0.003","86.353","0.003","84.933","0.003","70.398","0.003","1601","0.4","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H43 Fe N7 -","- C33 H43 Fe N7 -","- C66 H86 Fe2 N14 -","2","1","","Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik","Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation","Journal of the American Chemical Society","2004","126","","13794","13807","10.1021/ja046753t","","","0.71073","MoKα","","0.1031","0.0546","","","0.0995","0.114","","","","","","0.995","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113094","10.1598","0.0003","11.7014","0.0004","15.3667","0.0005","75.595","0.002","78.587","0.002","67.167","0.002","1620.22","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H41 N2 O P Sn -","- C35 H41 N2 O P Sn -","- C70 H82 N4 O2 P2 Sn2 -","2","1","","Nonsee Nimitsiriwat; Edward L. Marshall; Vernon C. Gibson; Mark R. J. Elsegood; Sophie H. Dale","Unprecedented Reversible Migration of Amide to Schiff Base Ligands Attached to Tin: Latent Single-Site Initiators for Lactide Polymerization","Journal of the American Chemical Society","2004","126","","13598","13599","10.1021/ja0470315","","","0.71073","MoKα","","0.0206","0.019","","","0.0484","0.0493","","","","","","1.044","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113095","12.442","0.0001","19.8595","0.0002","35.8872","0.0004","90","","97.661","0.001","90","","8788.29","0.15","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C113 H82 Cl2 N8 -","- C113 H82 Cl2 N8 -","- C452 H328 Cl8 N32 -","4","1","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.1619","0.0778","","","0.1571","0.1925","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113096","15.0933","0.0002","24.4686","0.0003","13.2314","0.0002","90","","107.054","0.001","90","","4671.65","0.11","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H27 Cl3 F10 N4 -","- C57 H26 Cl3.01 F10 N4 -","- C228 H104 Cl12.04 F40 N16 -","4","1","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.0847","0.0546","","","0.1209","0.1335","","","","","","1.198","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113097","25.0385","0.0003","7.6843","0.0001","19.3335","0.0002","90","","112.494","0.001","90","","3436.82","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 F10 N4 -","- C42 H30 F10 N4 -","- C168 H120 F40 N16 -","4","0.5","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.0336","0.0306","","","0.0765","0.078","","","","","","1.043","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113098","14.2116","0.0003","11.8259","0.0003","11.5544","0.0002","90","","111.306","0.001","90","","1809.17","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 F10 N4 -","- C46 H26 F10 N4 -","- C92 H52 F20 N8 -","2","0.5","","Bohumil Dolenský; Jiří Kroulík; Vladimír Král; Jonathan L. Sessler; Hana Dvořáková; Petr Bouř; Markéta Bernátková; Christophe Bucher; Vincent Lynch","Calix[4]phyrins. Effect of Peripheral Substituents on Conformational Mobility and Structure within a Series of Related Systems","Journal of the American Chemical Society","2004","126","","13714","13722","10.1021/ja048075g","","","0.71073","MoKα","","0.2066","0.0751","","","0.1565","0.1781","","","","","","1.255","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113099","15.376","0.003","11.174","0.002","18.51","0.003","90","","100.535","0.002","90","","3126.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Cl2 Fe O4 Si4 -","- C22 H42 Cl2 Fe O4 Si4 -","- C88 H168 Cl8 Fe4 O16 Si16 -","4","1","","Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira","Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes","Journal of the American Chemical Society","2004","126","","13628","13629","10.1021/ja048100i","","","0.7107","MoKα","","0.0403","0.0353","","","0.1105","0.1184","","","","","","0.919","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113100","14.774","0.004","15.521","0.005","27.909","0.008","90","","90","","90","","6400","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 Cl2 Fe O4 Si4 -","- C22 H42 Cl2 Fe O4 Si4 -","- C176 H336 Cl16 Fe8 O32 Si32 -","8","1","","Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira","Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes","Journal of the American Chemical Society","2004","126","","13628","13629","10.1021/ja048100i","","","0.7107","MoKα","","0.1744","0.1494","","","0.3007","0.3165","","","","","","1.178","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113101","5.057","0.002","5.057","0.002","5.42","0.003","90","","90","","120","","120.04","0.09","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Pt -","- Ba Pt -","- Ba2 Pt2 -","2","0.0833333","","Andrey Karpov; Jürgen Nuss; Ulrich Wedig; Martin Jansen","Covalently Bonded [Pt]-Chains in BaPt: Extension of the Zintl-Klemm Concept to Anionic Transition Metals?","Journal of the American Chemical Society","2004","126","","14123","14128","10.1021/ja0401186","","","0.71073","MoKα","","0.0319","0.0297","","","0.0787","0.0794","","","","","","1.372","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113102","6.8198","0.0003","9.4658","0.0007","11.7016","0.0008","91.077","0.003","103.919","0.004","104.246","0.004","708.22","0.08","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 Br2 Zr -","- C13 H16 Br2 Zr -","- C26 H32 Br4 Zr2 -","2","1","","Asha Rajapakshe; Nadine E. Gruhn; Dennis L. Lichtenberger; Rehan Basta; Atta M. Arif; Richard D. Ernst","Pentadienyls vs Cyclopentadienyls and Reversal of Metal-Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes","Journal of the American Chemical Society","2004","126","","14105","14116","10.1021/ja040123+","","","0.71073","MoKα","","0.0766","0.0573","","","0.1539","0.1683","","","","","","1.088","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113103","17.5859","0.0007","6.6451","0.0001","24.7237","0.001","90","","107.946","0.0012","90","","2748.65","0.16","150","1","150","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H16 Cl2 Zr -","- C13 H16 Cl2 Zr -","- C104 H128 Cl16 Zr8 -","8","2","","Asha Rajapakshe; Nadine E. Gruhn; Dennis L. Lichtenberger; Rehan Basta; Atta M. Arif; Richard D. Ernst","Pentadienyls vs Cyclopentadienyls and Reversal of Metal-Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes","Journal of the American Chemical Society","2004","126","","14105","14116","10.1021/ja040123+","","","0.71073","MoKα","","0.0579","0.0376","","","0.0684","0.075","","","","","","1.082","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113104","8.73","0.0002","13.1929","0.0003","13.0595","0.0004","90","","95.298","0.0011","90","","1497.69","0.07","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 I2 Zr -","- C13 H16 I2 Zr -","- C52 H64 I8 Zr4 -","4","1","","Asha Rajapakshe; Nadine E. Gruhn; Dennis L. Lichtenberger; Rehan Basta; Atta M. Arif; Richard D. Ernst","Pentadienyls vs Cyclopentadienyls and Reversal of Metal-Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes","Journal of the American Chemical Society","2004","126","","14105","14116","10.1021/ja040123+","","","0.71073","MoKα","","0.052","0.039","","","0.0871","0.0948","","","","","","1.022","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113105","26.777","0.012","8.697","0.004","22.295","0.01","90","","99.105","0.007","90","","5127","4","138","2","138","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C63 H69 N4 Zr2 -","- C63 H69 N4 Zr2 -","- C252 H276 N16 Zr8 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0268","0.0251","","","0.0659","0.0673","","","","","","0.605","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113106","10.3941","0.0019","12.017","0.002","21.372","0.004","90","","90","","90","","2669.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(2R,4R)-N,N'-Diphenyl-(2,4)-pentanediamine]ZrCl2(THF2)","","","- C25 H36 Cl2 N2 O2 Zr -","- C25 H36 Cl2 N2 O2 Zr -","- C100 H144 Cl8 N8 O8 Zr4 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0332","0.0298","","","0.0515","0.0524","","","","","","1.006","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113107","15.041","0.003","11.401","0.002","11.289","0.002","90","","117.92","0.03","90","","1710.5","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C37 H38 N2 Si Zr -","- C37 H38 N2 Si Zr -","- C74 H76 N4 Si2 Zr2 -","2","0.5","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0396","0.039","","","0.0891","0.0895","","","","","","1.062","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113108","7.1767","0.0012","13.512","0.002","16.907","0.003","90","","90","","90","","1639.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-[CH2CH2(Indnyl)2]ZrCl2","","","- C20 H16 Cl2 Zr -","- C20 H16 Cl2 Zr -","- C80 H64 Cl8 Zr4 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0248","0.0235","","","0.052","0.0524","","","","","","1.143","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113109","15.699","0.002","15.699","0.002","16.214","0.003","90","","90","","90","","3996.1","1","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H40 O4 -","- C44 H40 O4 -","- C176 H160 O16 -","4","0.5","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.4427","0.1882","","","0.3515","0.4135","","","","","","1.491","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113110","12.899","0.003","16.405","0.003","15.888","0.003","90","","97.61","0.03","90","","3332.4","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 O4 -","- C44 H40 O4 -","- C176 H160 O16 -","4","1","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.1374","0.054","","","0.089","0.1111","","","","","","0.997","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113111","10.817","0.002","10.839","0.002","13.945","0.003","104.68","0.03","101.53","0.03","92.22","0.03","1542.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 N O6 -","- C36 H39 N O6 -","- C72 H78 N2 O12 -","2","1","","Vijay Gopalsamuthiram; William D. Wulff","A New Convergent Strategy for the Synthesis of Calixarenes via a Triple Annulation of Fischer Carbene Complexes","Journal of the American Chemical Society","2004","126","","13936","13937","10.1021/ja0454236","","","0.71073","MoKα","","0.0603","0.0499","","","0.1618","0.1671","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113112","15.3195","0.0013","7.0515","0.0006","21.4677","0.0019","90","","106.239","0.002","90","","2226.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Douglass F. Taber; Yigang He; Ming Xu","Enantioselective Construction of Carbobicyclic Scaffolds","Journal of the American Chemical Society","2004","126","","13900","13901","10.1021/ja045849k","","","0.71073","MoKα","","0.1104","0.0862","","","0.1623","0.1702","","","","","","1.294","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113113","10.376","0.002","10.376","0.002","10.376","0.002","90","","90","","90","","1117.1","0.4","100","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 Ce -","- Be13 Ce -","- Be104 Ce8 -","8","0.0416667","","Zakiya S. Wilson; Robin T. Macaluso; E. D. Bauer; J. L. Smith; J. D. Thompson; Z. Fisk; George G. Stanley; Julia Y. Chan","Rare Beryllium Icosahedra in the Intermediate Valence Compound CeBe13","Journal of the American Chemical Society","2004","126","","13926","13927","10.1021/ja045861c","","","0.71073","MoKα","","0.0219","0.0192","","","0.0464","0.0484","","","","","","1.159","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113114","11.923","0.0007","13.1067","0.0008","16.6412","0.001","74.251","0.001","72.965","0.001","67.582","0.001","2260.7","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","(t-BuC(P)O)Nb(N[Np]Ar)3","","","- C44 H63 N3 Nb O P -","- C44 H63 N3 Nb O P -","- C88 H126 N6 Nb2 O2 P2 -","2","1","","Joshua S. Figueroa; Christopher C. Cummins","Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation","Journal of the American Chemical Society","2004","126","","13916","13917","10.1021/ja0461522","","","0.71073","MoKα","","0.0819","0.0661","","","0.154","0.1599","","","","","","1.014","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113115","12.7695","0.0009","16.2045","0.0011","22.624","0.0015","90","","91.802","0.001","90","","4679.1","0.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(F3CSO3)2Nb(N[Np]Ar)3","","","- C41 H47 F6 N3 Nb O6 S2 -","- C41 H47 F6 N3 Nb O6 S2 -","- C164 H188 F24 N12 Nb4 O24 S8 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation","Journal of the American Chemical Society","2004","126","","13916","13917","10.1021/ja0461522","","","0.71073","MoKα","","0.063","0.0461","","","0.1381","0.1446","","","","","","1.071","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113116","12.5441","0.001","34.834","0.003","12.2793","0.001","90","","115.995","0.001","90","","4822.8","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(1-AdC(P)O)Nb(N[Np]Ar)3","","","- C50 H75 N3 Nb O P -","- C50 H75 N3 Nb O P -","- C200 H300 N12 Nb4 O4 P4 -","4","1","","Joshua S. Figueroa; Christopher C. Cummins","Phosphaalkynes from Acid Chlorides via P for O(Cl) Metathesis: A Recyclable Niobium Phosphide (P3-) Reagent that Effects C-P Triple-Bond Formation","Journal of the American Chemical Society","2004","126","","13916","13917","10.1021/ja0461522","","","0.71073","MoKα","","0.1362","0.0906","","","0.1833","0.2001","","","","","","1.102","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113117","14.457","0.003","14.65","0.003","16.026","0.003","73.246","0.004","67.638","0.004","69.852","0.004","2898.2","1","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H74 B2 N4 O2 -","- C70 H74 B2 N4 O2 -","- C140 H148 B4 N8 O4 -","2","1","","Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer","Journal of the American Chemical Society","2004","126","","14297","14302","10.1021/ja046243z","","","0.71073","MoKα","","0.084","0.0531","","","0.1369","0.1631","","","","","","1.027","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113118","17.323","0.003","20.281","0.005","9.7394","0.0017","90","","93.74","0.006","90","","3414.4","1.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B N2 O2 -","- C42 H48 B N2 O2 -","- C168 H192 B4 N8 O8 -","4","1","","Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer","Journal of the American Chemical Society","2004","126","","14297","14302","10.1021/ja046243z","","","0.71073","MoKα","","0.1166","0.0671","","","0.1777","0.2084","","","","","","1.027","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113119","9.135","0.0015","12.826","0.002","15.925","0.003","103.674","0.004","98.411","0.004","103.936","0.004","1718.3","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H96 B2 N4 O4 -","- C84 H96 B2 N4 O4 -","- C84 H96 B2 N4 O4 -","1","0.5","","Puhong Liao; Mikhail E. Itkis; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","Light-Mediated C-C σ-Bond Driven Crystallization of a Phenalenyl Radical Dimer","Journal of the American Chemical Society","2004","126","","14297","14302","10.1021/ja046243z","","","0.71073","MoKα","","0.0821","0.0506","","","0.1249","0.1468","","","","","","1.019","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113120","27.6536","0.0012","35.0945","0.0013","20.6","0.0008","90","","90","","90","","19992.1","1.4","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Compound DL098","","","- C54 H198 K N9 Na2 O168 W36 -","- C51 H115.5 K N8.5 Na2 O167.8 W36 -","- C204 H462 K4 N34 Na8 O671.2 W144 -","4","0.5","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.1475","0.0571","","","0.0988","0.122","","","","","","0.989","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113121","17.2213","0.0005","17.2213","0.0005","10.7164","0.0004","90","","90","","90","","3178.2","0.18","150","2","150","2","","","","","","","","6","I -4","I -4","82","Compound DL121","","","- C24 H66 K2 N4 O52 W12 -","- C24 H66 K2 N4 O52 W12 -","- C48 H132 K4 N8 O104 W24 -","2","0.25","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.0252","0.0222","","","0.0425","0.0432","","","","","","1.061","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113122","22.9618","0.0003","14.7301","0.0002","22.6265","0.0004","90","","90","","90","","7653","0.2","120","2","120","2","","","","","","","","5","C m c 21","C 2c -2","36","Compound HA162","","","- C36 H98 N6 O58 W12 -","- C36 H60 N6 O58 W12 -","- C144 H240 N24 O232 W48 -","4","0.5","","De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin","A High-Nuclearity ""Celtic-Ring"" Isopolyoxotungstate, [H12W36O120]12-, That Captures Trace Potassium Ions","Journal of the American Chemical Society","2004","126","","13880","13881","10.1021/ja046410v","","","0.71073","MoKα","","0.041","0.0297","","","0.0638","0.0667","","","","","","1.027","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113123","10.411","0.002","17.363","0.004","13.854","0.002","90","","92.125","0.015","90","","2502.6","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N3 Te -","- C30 H25 N3 Te -","- C120 H100 N12 Te4 -","4","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab","Organotellurium(VI) Azides and Halides","Journal of the American Chemical Society","2004","126","","14166","14175","10.1021/ja046637q","","","0.71073","MoKα","","0.0403","0.0309","","0.0848","0.0796","","","","1.165","1.189","1.189","","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113124","8.35","0.0015","27.805","0.006","9.803","0.002","90","","114.597","0.013","90","","2069.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 Te -","- C24 H16 N6 Te -","- C96 H64 N24 Te4 -","4","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab","Organotellurium(VI) Azides and Halides","Journal of the American Chemical Society","2004","126","","14166","14175","10.1021/ja046637q","","","0.71073","MoKα","","0.0398","0.0267","","0.0627","0.0575","","","","1.111","1.142","1.142","","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113125","6.6539","0.0009","7.2989","0.001","7.8195","0.0011","60.502","0.013","66.843","0.012","69.29","0.011","297.77","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 F4 Te -","- C12 H10 F4 Te -","- C12 H10 F4 Te -","1","0.5","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn; Ingo Schwab","Organotellurium(VI) Azides and Halides","Journal of the American Chemical Society","2004","126","","14166","14175","10.1021/ja046637q","","","0.71073","MoKα","","0.022","0.022","","0.054","0.054","","","","1.168","1.168","1.168","","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113126","9.5099","0.0004","9.5868","0.0004","9.5449","0.0004","90","","114.459","0.001","90","","792.11","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C36 H38 I2 N4 -","2","1","","Audris Huang; Jeremy J. Kodanko; Larry E. Overman","Asymmetric Synthesis of Pyrrolidinoindolines. Application for the Practical Total Synthesis of (-)-Phenserine","Journal of the American Chemical Society","2004","126","","14043","14053","10.1021/ja046690e","","","0.71073","MoKα","","0.0154","0.0151","","","0.0384","0.0386","","","","","","1.034","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113127","11.0019","0.0019","22.129","0.004","12.341","0.002","90","","91.705","0.003","90","","3003.2","0.9","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Br2 N2 O4 -","- C31 H38 Br2 N2 O4 -","- C124 H152 Br8 N8 O16 -","4","1","","Audris Huang; Jeremy J. Kodanko; Larry E. Overman","Asymmetric Synthesis of Pyrrolidinoindolines. Application for the Practical Total Synthesis of (-)-Phenserine","Journal of the American Chemical Society","2004","126","","14043","14053","10.1021/ja046690e","","","0.71073","MoKα","","0.0836","0.0479","","","0.111","0.1253","","","","","","1.027","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113128","25.169","0.003","15.018","0.003","19.429","0.004","90","","93.3","0.02","90","","7332","2","100","","100","","","","","","","","synthetic","5","C 1 2 1","C 2y","5","Ba@C74","endohedral Barium fullerene [74]","","- C122 H56 Ba Co N4 -","- C122 Ba Co N4 -","- C488 Ba4 Co4 N16 -","4","1","","Andreas Reich; Martin Panthöfer; Hartwig Modrow; Ulrich Wedig; Martin Jansen","The Structure of Ba@C74","Journal of the American Chemical Society","2004","126","","14428","14434","10.1021/ja0401693","","x-ray","0.643","synchrotron","","0.265","0.1309","","","0.1455","0.1862","","","","2.93","2.93","2.44","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113129","9.725","0.005","10.608","0.005","11.225","0.005","79.6","0.005","67.79","0.005","71.001","0.005","1011.5","0.8","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H35 B O3 -","- C18 H35 B O3 -","- C36 H70 B2 O6 -","2","1","","Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura","Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers","Journal of the American Chemical Society","2004","126","","14344","14345","10.1021/ja044878s","","x-ray","0.71069","MoKα","","0.2049","0.1816","","","0.441","0.5057","","","","","","1.816","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113130","6.891","0.0004","16.614","0.0012","24.756","0.0017","90","","95.8","0.004","90","","2819.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B N2 O3 -","- C26 H47 B N2 O3 -","- C104 H188 B4 N8 O12 -","4","1","","Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura","Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers","Journal of the American Chemical Society","2004","126","","14344","14345","10.1021/ja044878s","","x-ray","0.71073","MoKα","","0.0939","0.0762","","","0.2186","0.2461","","","","","","1.052","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113131","9.744","0.001","12.409","0.0008","15.523","0.0015","91.937","0.005","105.989","0.004","107.197","0.005","1710","0.3","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C40 H44 O4 -","- C40 H44 O4 -","- C80 H88 O8 -","2","1","","Masaharu Nakamura; Takuji Hatakeyama; Kenji Hara; Hiroki Fukudome; Eiichi Nakamura","Sequential Coupling of Zincated Hydrazone, Alkenylboronate, and Electrophile That Creates Several Contiguous Stereogenic Centers","Journal of the American Chemical Society","2004","126","","14344","14345","10.1021/ja044878s","","x-ray","0.71073","MoKα","","0.1042","0.0864","","","0.2585","0.283","","","","","","1.083","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113132","11.2403","0.0013","14.5902","0.001","13.2472","0.0009","90","","98.325","0.007","90","","2149.6","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu(I)PETAEA","","","- C23 H27 Cu N4 O2 S -","- C23 H27 Cu N4 O2 S -","- C92 H108 Cu4 N16 O8 S4 -","4","1","","Jocelyn M. Goodwin; Marilyn M. Olmstead; Timothy E. Patten","Identification and Characterization of Monoanionic Tripodal Tetradentate Ligand Complexes of Copper(I) and Copper(II) Involved in Halogen Atom Transfer Reactions","Journal of the American Chemical Society","2004","126","","14352","14353","10.1021/ja045003g","","","1.54178","CuKα","","0.0747","0.0506","","","0.1104","0.1241","","","","","","1.022","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113133","9.156","0.002","10.049","0.003","30.571","0.008","90","","96.566","0.006","90","","2794.3","1.3","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BrCu(PETAEA)^.^THF","","","- C27 H35 Br Cu N4 O3 S -","- C27 H35 Br Cu N4 O3 S -","- C108 H140 Br4 Cu4 N16 O12 S4 -","4","1","","Jocelyn M. Goodwin; Marilyn M. Olmstead; Timothy E. Patten","Identification and Characterization of Monoanionic Tripodal Tetradentate Ligand Complexes of Copper(I) and Copper(II) Involved in Halogen Atom Transfer Reactions","Journal of the American Chemical Society","2004","126","","14352","14353","10.1021/ja045003g","","","0.71073","MoKα","","0.1517","0.0561","","","0.1038","0.1266","","","","","","0.811","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113134","9.021","0.001","11.1799","0.0008","13.772","0.002","104.489","0.004","106.513","0.001","102.553","0.002","1225.5","0.2","294.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O6 -","- C26 H25 N3 O6 -","- C52 H50 N6 O12 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.0681","","","","0.2053","","","","","","2.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113135","9.321","0.001","10.529","0.002","13.773","0.002","101.263","0.001","102.727","0.001","109.344","0.004","1190","0.3","295.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N3 O7 -","- C24 H23 N3 O7 -","- C48 H46 N6 O14 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.0546","","","","0.1166","","","","","","1.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113136","9.87","0.001","11.484","0.001","11.648","0.001","81.769","0.003","79.671","0.002","65.0219","0.0008","1174.01","0.19","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N3 O6 -","- C23 H27 N3 O6 -","- C46 H54 N6 O12 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.054","","","","0.1724","","","","","","2.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113137","9.4444","0.0004","10.749","0.001","13.384","0.002","100.714","0.004","100.568","0.003","109.558","0.002","1212.9","0.2","297.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N3 O7 -","- C25 H25 N3 O7 -","- C50 H50 N6 O14 -","2","1","","Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru","Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc","Journal of the American Chemical Society","2004","126","","14360","14361","10.1021/ja0450354","","","0.7107","MoKα","","","0.0612","","","","0.1882","","","","","","1.616","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113138","11.536","0.002","14.0279","0.0017","14.279","0.003","94.746","0.018","111.785","0.015","108.13","0.012","1987.1","0.7","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2 -","- C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2 -","- C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2 -","1","0.5","","Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin","Halide-Induced Supramolecular Ligand Rearrangement","Journal of the American Chemical Society","2004","126","","14316","14317","10.1021/ja045316b","","","0.71073","MoKα","","0.0642","0.0497","","","0.1329","0.1443","","","","","","1.105","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113139","9.8954","0.0006","12.8828","0.0008","17.6478","0.0011","68.85","0.001","89.356","0.001","81.645","0.001","2073.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H80 Cl10 O2 P4 Rh2 S2 -","- C84 H80 Cl10 O2 P4 Rh2 S2 -","- C84 H80 Cl10 O2 P4 Rh2 S2 -","1","0.5","","Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin","Halide-Induced Supramolecular Ligand Rearrangement","Journal of the American Chemical Society","2004","126","","14316","14317","10.1021/ja045316b","","","0.71073","MoKα","","0.0508","0.0439","","","0.1199","0.1262","","","","","","1.063","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113140","32.486","0.006","32.486","0.006","12.05","0.003","90","","90","","90","","12717","5","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C68 H64 Cl2 O4 P4 Rh2 S2 -","- C68 H64 Cl2 O4 P4 Rh2 S2 -","- C544 H512 Cl16 O32 P32 Rh16 S16 -","8","0.5","","Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin","Halide-Induced Supramolecular Ligand Rearrangement","Journal of the American Chemical Society","2004","126","","14316","14317","10.1021/ja045316b","","","0.71073","MoKα","","0.2825","0.1324","","","0.2799","0.3427","","","","","","1.006","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113141","6.968","0.0002","10.4305","0.0002","11.6086","0.0003","90","","91.368","0.002","90","","843.47","0.04","100","2","100","2","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","3,4-diisopropylidene-6-(4-methoxyphenyl)cycloheptanone","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","","José Barluenga; Rubén Vicente; Pablo Barrio; Luis A. López; Miguel Tomás; Javier Borge","Specific Synthesis of 1,2- and 1,3-Dialkylidenecycloheptanes by [3+2+2] Cyclization of Alkenyl Fischer Carbene Complexes and Allenes","Journal of the American Chemical Society","2004","126","","14354","14355","10.1021/ja045459y","","","1.54184","CuKα","","0.059","0.0563","","","0.1574","0.1614","","","","","","1.085","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113142","21.563","0.0002","9.077","0.0002","10.099","0.0007","90","","101.49","0.0011","90","","1937.04","0.14","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","6-ferrocenyl-2-4-diisopropylidenecycloheptanone","","- C23 H28 Fe O -","- C23 H28 Fe O -","- C92 H112 Fe4 O4 -","4","1","","José Barluenga; Rubén Vicente; Pablo Barrio; Luis A. López; Miguel Tomás; Javier Borge","Specific Synthesis of 1,2- and 1,3-Dialkylidenecycloheptanes by [3+2+2] Cyclization of Alkenyl Fischer Carbene Complexes and Allenes","Journal of the American Chemical Society","2004","126","","14354","14355","10.1021/ja045459y","","","0.71073","MoKα","","0.0897","0.0583","","","0.1525","0.1777","","","","","","1.056","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113143","10.7711","0.0012","23.42","0.003","11.5021","0.0012","90","","112.638","0.002","90","","2678","0.5","168","2","168","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Er2 N6 O2 Si8 -","- C32 H88 Er2 N6 O2 Si8 -","- C64 H176 Er4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0361","0.0315","","","0.0789","0.0817","","","","","","1.089","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113144","10.8206","0.0008","23.4274","0.0016","11.5654","0.0008","90","","112.641","0.001","90","","2705.9","0.3","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 N6 O2 Si8 Tb2 -","- C32 H88 N6 O2 Si8 Tb2 -","- C64 H176 N12 O4 Si16 Tb4 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0251","0.0234","","","0.0502","0.0507","","","","","","1.159","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113145","10.8414","0.0018","23.469","0.004","11.5946","0.0019","90","","112.585","0.003","90","","2723.9","0.8","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 Gd2 N6 O2 Si8 -","- C32 H88 Gd2 N6 O2 Si8 -","- C64 H176 Gd4 N12 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0312","0.0223","","","0.047","0.05","","","","","","1.068","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113146","47.804","0.005","23.067","0.002","24.033","0.003","90","","90","","90","","26501","5","163","2","163","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H114 Ce N4 Na O5 Si8 -","- C44 H72 Ce N4 Na O5 Si8 -","- C704 H1152 Ce16 N64 Na16 O80 Si128 -","16","2","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0941","0.0608","","","0.1411","0.1657","","","","","","1.065","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113147","26.627","0.003","30.59","0.003","17.3452","0.0019","90","","91.169","0.002","90","","14125","3","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 K N4 O6 Pr Si8 -","- C48 H120 K N4 O6 Pr Si8 -","- C384 H960 K8 N32 O48 Pr8 Si64 -","8","1","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.126","0.0904","","","0.2576","0.2878","","","","","","1.071","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113148","26.623","0.003","30.624","0.003","17.3572","0.0017","90","","91.339","0.002","90","","14148","3","163","2","163","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 K La N4 O6 Si8 -","- C48 H120 K La N4 O6 Si8 -","- C384 H960 K8 La8 N32 O48 Si64 -","8","1","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0987","0.0662","","","0.1806","0.2144","","","","","","1.06","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113149","10.897","0.0005","23.5933","0.001","11.687","0.0005","90","","112.687","0.001","90","","2772.2","0.2","175","2","175","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H88 N6 Nd2 O2 Si8 -","- C32 H88 N6 Nd2 O2 Si8 -","- C64 H176 N12 Nd4 O4 Si16 -","2","0.5","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.0202","0.0186","","","0.0454","0.0461","","","","","","1.1","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113150","26.63","0.005","30.601","0.005","17.379","0.003","90","","91.613","0.003","90","","14157","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 K N4 O6 Si8 U -","- C48 H120 K N4 O6 Si8 U -","- C384 H960 K8 N32 O48 Si64 U8 -","8","1","","William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller","Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K","Journal of the American Chemical Society","2004","126","","14574","14582","10.1021/ja046047s","","","0.71073","MoKα","","0.1083","0.0578","","","0.1446","0.1785","","","","","","1.05","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113151","17.3074","0.0016","10.7815","0.001","23.129","0.002","90","","94.617","0.002","90","","4301.9","0.7","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H73 U2 -","- C49 H73 U2 -","- C196 H292 U8 -","4","1","","William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Nikolas Kaltsoyannis","Structure, Reactivity, and Density Functional Theory Analysis of the Six-Electron Reductant, [(C5Me5)2U]2(μ-η6:η6-C6H6), Synthesized via a New Mode of (C5Me5)3M Reactivity","Journal of the American Chemical Society","2004","126","","14533","14547","10.1021/ja0463886","","","0.71073","MoKα","","0.0925","0.0646","","","0.165","0.191","","","","","","1.088","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113152","8.603","0.0016","11.624","0.002","13.269","0.003","107.46","0.003","99.515","0.003","90.328","0.003","1246.2","0.4","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H86 N2 Si4 U2 -","- C44 H86 N2 Si4 U2 -","- C44 H86 N2 Si4 U2 -","1","0.5","","William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Nikolas Kaltsoyannis","Structure, Reactivity, and Density Functional Theory Analysis of the Six-Electron Reductant, [(C5Me5)2U]2(μ-η6:η6-C6H6), Synthesized via a New Mode of (C5Me5)3M Reactivity","Journal of the American Chemical Society","2004","126","","14533","14547","10.1021/ja0463886","","","0.71073","MoKα","","0.0186","0.0168","","","0.0432","0.052","","","","","","1.174","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113153","12.932","0.002","17.383","0.002","19.398","0.002","90","","90","","90","","4360.6","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C192 H208 N16 O24 -","8","2","","Klas Källström; Christian Hedberg; Peter Brandt; Annette Bayer; Pher G. Andersson","Rationally Designed Ligands for Asymmetric Iridium-Catalyzed Hydrogenation of Olefins","Journal of the American Chemical Society","2004","126","","14308","14309","10.1021/ja0464241","","","0.71069","MoKα","","0.0907","0.0355","","","0.0814","0.0954","","","","","","0.989","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113154","14.244","0.007","19.825","0.01","19.945","0.01","90","","90","","90","","5632","5","100","2","273","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C248 H260 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.0418","0.0385","","","0.0926","0.0941","","","","","","1.092","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113155","8.9815","0.0006","15.1441","0.0011","19.2553","0.0014","90","","90","","90","","2619","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl N2 P Pd -","- C26 H40 Cl N2 P Pd -","- C104 H160 Cl4 N8 P4 Pd4 -","4","1","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.0356","0.0342","","","0.0826","0.0831","","","","","","1.052","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113156","11.44","0.002","16.326","0.003","41.174","0.008","90","","90","","90","","7690","2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H57 Cl N2 P Pd -","- C44 H57 Cl N2 P Pd -","- C352 H456 Cl8 N16 P8 Pd8 -","8","2","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.1526","0.09","","","0.1237","0.1431","","","","","","0.983","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113157","20.526","0.014","3.718","0.003","15.506","0.01","90","","106.681","0.01","90","","1133.6","1.4","323","2","323","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","PDTA","1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C32 H16 N24 S16 -","8","1","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistability and the Phase Transition in 1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","Journal of the American Chemical Society","2004","126","","14692","14693","10.1021/ja044979q","","","0.71073","MoKα","","0.1927","0.0792","","","0.1566","0.1913","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113158","7.052","0.0013","7.9277","0.0013","11.4931","0.0014","69.953","0.002","75.202","0.011","76.34","0.01","575.72","0.16","323","2","323","2","","","","","","","","4","P -1","-P 1","2","PDTA","1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","","- C4 H2 N3 S2 -","- C4 H2 N3 S2 -","- C16 H8 N12 S8 -","4","2","","Jaclyn L. Brusso; Owen P. Clements; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; John F. Richardson","Bistability and the Phase Transition in 1,3,2-Dithiazolo[4,5-b]pyrazin-2-yl","Journal of the American Chemical Society","2004","126","","14692","14693","10.1021/ja044979q","","","0.71073","MoKα","","0.1139","0.0565","","","0.0993","0.1124","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113159","12.4276","0.0018","17.482","0.002","22.792","0.003","108.535","0.004","93.198","0.006","110.092","0.006","4332.8","1","93","2","93","2","","","","","","","","7","P -1","-P 1","2","(Et4N)[Ni(NpPepS)Cu(neo)].0.5Et2O.0.5H2O","","","- C48 H49.5 Cu N5 Ni O3 S2 -","- C48 H48.5 Cu N5 Ni O3 S2 -","- C192 H194 Cu4 N20 Ni4 O12 S8 -","4","2","","Todd C. Harrop; Marilyn M. Olmstead; Pradip K. Mascharak","Structural Models of the Bimetallic Subunit at the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Binuclear Sulfur-Bridged Ni-Cu and Ni-Ni Complexes and Their Reactions with CO","Journal of the American Chemical Society","2004","126","","14714","14715","10.1021/ja045284s","","","0.71073","MoKα","","0.1228","0.0573","","","0.1332","0.1705","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113160","14.0656","0.0005","17.3249","0.0006","17.537","0.0006","90","","90.61","0.003","90","","4273.3","0.3","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ni(PhPepS)Ni(dppe)].CH2Cl2","","","- C47 H38 Cl2 N2 Ni2 O2 P2 S2 -","- C47 H38 Cl2 N2 Ni2 O2 P2 S2 -","- C188 H152 Cl8 N8 Ni8 O8 P8 S8 -","4","1","","Todd C. Harrop; Marilyn M. Olmstead; Pradip K. Mascharak","Structural Models of the Bimetallic Subunit at the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Binuclear Sulfur-Bridged Ni-Cu and Ni-Ni Complexes and Their Reactions with CO","Journal of the American Chemical Society","2004","126","","14714","14715","10.1021/ja045284s","","","0.71073","MoKα","","0.0461","0.0312","","","0.0723","0.0793","","","","","","1.001","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113161","12.6126","0.0009","19.7239","0.0014","14.6251","0.001","90","","109.9","0.006","90","","3421","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Et4N)2[Ni(PhPepS)]","","","- C36 H52 N4 Ni O2 S2 -","- C36 H52 N4 Ni O2 S2 -","- C144 H208 N16 Ni4 O8 S8 -","4","1","","Todd C. Harrop; Marilyn M. Olmstead; Pradip K. Mascharak","Structural Models of the Bimetallic Subunit at the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Binuclear Sulfur-Bridged Ni-Cu and Ni-Ni Complexes and Their Reactions with CO","Journal of the American Chemical Society","2004","126","","14714","14715","10.1021/ja045284s","","","0.71073","MoKα","","0.078","0.0449","","","0.1029","0.1164","","","","","","1.01","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113162","9.1642","0.0018","15.136","0.003","20.242","0.004","90","","96.767","0.004","90","","2788.2","1","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 Cl6 Cr2 N2 P4 -","- C60 H50 Cl6 Cr2 N2 P4 -","- C120 H100 Cl12 Cr4 N4 P8 -","2","0.5","","Annette Bollmann; Kevin Blann; John T. Dixon; Fiona M. Hess; Esna Killian; Hulisani Maumela; David S. McGuinness; David H. Morgan; Arno Neveling; Stefanus Otto; Matthew Overett; Alexandra M. Z. Slawin; Peter Wasserscheid; Sven Kuhlmann","Ethylene Tetramerization: A New Route to Produce 1-Octene in Exceptionally High Selectivities","Journal of the American Chemical Society","2004","126","","14712","14713","10.1021/ja045602n","","","0.71073","MoKα","","0.2176","0.0711","","","0.1012","0.1366","","","","","","0.867","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113163","16.4403","0.0013","8.5815","0.0007","17.9757","0.0014","90","","112.649","0.002","90","","2340.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 N4 Ti -","- C24 H38 N4 Ti -","- C96 H152 N16 Ti4 -","4","0.5","","Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Activation by Titanium Sandwich Complexes","Journal of the American Chemical Society","2004","126","","14688","14689","10.1021/ja045884r","","","0.71073","MoKα","","0.0675","0.0428","","","0.0983","0.1077","","","","","","1.03","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113164","16.1895","0.0013","10.3998","0.0009","21.2941","0.0018","90","","92.68","0.002","90","","3581.3","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","CP3","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene","","- C52 H38 N2 -","- C52 H38 N2 -","- C208 H152 N8 -","4","0.5","","Xuefeng Mei; Christian Wolf","Enantioselective Sensing of Chiral Carboxylic Acids","Journal of the American Chemical Society","2004","126","","14736","14737","10.1021/ja0459781","","","0.71073","MoKα","","0.0697","0.0485","","","0.1122","0.119","","","","","","1.087","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113165","30.8915","0.0015","13.9299","0.0007","26.4715","0.0013","90","","107.957","0.001","90","","10836.2","0.9","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mo2(DAniF)3]2(C4H6N2O2),4(ClCH2CH2Cl)","","","- C102 H112 Cl8 Mo4 N14 O14 -","- C102 H112 Cl8 Mo4 N14 O14 -","- C408 H448 Cl32 Mo16 N56 O56 -","4","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure","Journal of the American Chemical Society","2004","126","","14822","14831","10.1021/ja046775f","","","0.71073","MoKα","","0.0584","0.0443","","","0.0999","0.1096","","","","","","1.113","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113166","14.3138","0.0012","15.6456","0.0014","29.435","0.003","74.917","0.0017","77.5606","0.0019","80.3525","0.0018","6171.8","1","213","2","213","2","","","","","","","","7","P -1","-P 1","2","[Mo2(DAniF)3]2(C4H6N2O2)(PF6),6(THF)","","","- C118 H144 F6 Mo4 N14 O20 P -","- C118 H144 F6 Mo4 N14 O20 P -","- C236 H288 F12 Mo8 N28 O40 P2 -","2","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure","Journal of the American Chemical Society","2004","126","","14822","14831","10.1021/ja046775f","","","0.71073","MoKα","","0.1505","0.0888","","","0.1783","0.2032","","","","","","1.104","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113167","12.4174","0.0012","15.1905","0.0015","15.8439","0.0016","103.991","0.002","90.298","0.002","109.837","0.002","2715.4","0.5","213","2","213","2","","","","","","","","8","P -1","-P 1","2","[Mo2(DAniF)3]2(dimethyloxamidate)(PF6)2,3(CH2Cl2)","","","- C97 H102 Cl6 F12 Mo4 N14 O14 P2 -","- C97 H96 Cl6 F12 Mo4 N14 O14 P2 -","- C97 H96 Cl6 F12 Mo4 N14 O14 P2 -","1","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Strong Electronic Coupling between Dimolybdenum Units Linked by the N,N'-Dimethyloxamidate Anion in a Molecule Having a Heteronaphthalene-like Structure","Journal of the American Chemical Society","2004","126","","14822","14831","10.1021/ja046775f","","","0.71073","MoKα","","0.0368","0.0305","","","0.0775","0.0834","","","","","","1.049","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113168","14.6308","0.0003","17.4197","0.0004","32.8142","0.0003","90","","90","","90","","8363.2","0.3","163.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 P2 Re -","- C18 H39 P2 Re -","- C288 H624 P32 Re16 -","16","2","","Jennifer R. Krumper; Richard L. Martin; P. Jeffrey Hay; Cathleen M. Yung; John Veltheer; Robert G. Bergman","Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)","Journal of the American Chemical Society","2004","126","","14804","14815","10.1021/ja0468877","","","0.7107","MoKα","","","0.0326","","","","0.0394","","","","","","1.559","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113169","12.2338","0.0003","12.9077","0.0003","18.1496","0.0004","102.179","0.001","93.149","0.001","96.009","0.001","2777.35","0.11","170.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 B F24 P2 Re -","- C50 H50 B F24 P2 Re -","- C100 H100 B2 F48 P4 Re2 -","2","1","","Jennifer R. Krumper; Richard L. Martin; P. Jeffrey Hay; Cathleen M. Yung; John Veltheer; Robert G. Bergman","Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)","Journal of the American Chemical Society","2004","126","","14804","14815","10.1021/ja0468877","","","0.7107","MoKα","","","0","","","","0.047","","","","","","1.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113170","13.614","0.007","14.605","0.007","19.985","0.01","89.78","0.01","88.377","0.009","87.122","0.01","3967","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H126 O2 -","- C86 H126 O2 -","- C172 H252 O4 -","2","1","","Tinh-Alfredo V. Khuong; Gerardo Zepeda; Carlos N. Sanrame; Hung Dang; Michael D. Bartberger; K. N. Houk; Miguel A. Garcia-Garibay","Crankshaft Motion in a Highly Congested Bis(triarylmethyl)peroxide","Journal of the American Chemical Society","2004","126","","14778","14786","10.1021/ja046987c","","","0.71073","MoKα","","0.1021","0.0476","","","0.1077","0.1274","","","","","","0.912","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113171","23.117","0.0016","13.6467","0.0009","13.206","0.0009","90","","90.396","0.002","90","","4166","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H35 N3 O -","- C21 H35 N3 O -","- C168 H280 N24 O8 -","8","2","","Douglas C. Behenna; Brian M. Stoltz","The Enantioselective Tsuji Allylation","Journal of the American Chemical Society","2004","126","","15044","15045","10.1021/ja044812x","","","0.71073","MoKα","","0.1657","0.0873","","","0.149","0.1573","","","","","","1.972","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113172","13.4105","0.0011","13.4433","0.0011","24.353","0.002","90","","90","","90","","4390.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 N3 O -","- C22 H37 N3 O -","- C176 H296 N24 O8 -","8","2","","Douglas C. Behenna; Brian M. Stoltz","The Enantioselective Tsuji Allylation","Journal of the American Chemical Society","2004","126","","15044","15045","10.1021/ja044812x","","","0.71073","MoKα","","0.133","0.0842","","","0.1195","0.1224","","","","","","2.208","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113173","10.4025","0.0012","10.4025","0.0012","55.489","0.009","90","","90","","90","","6004.6","1.4","98","2","98","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C30 H36 B F4 N3 Pt -","- C30 H36 B F4 N3 Pt -","- C240 H288 B8 F32 N24 Pt8 -","8","1","","Alan F. Heyduk; Tom G. Driver; Jay A. Labinger; John E. Bercaw","Kinetic and Thermodynamic Preferences in Aryl vs Benzylic C-H Bond Activation with Cationic Pt(II) Complexes","Journal of the American Chemical Society","2004","126","","15034","15035","10.1021/ja045078k","","","0.71073","MoKα","","0.0318","0.0296","","","0.0629","0.0635","","","","","","1.227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113174","15.2398","0.0003","11.5499","0.0002","20.1497","0.0004","90","","90","","90","","3546.71","0.12","100","","100","","","","","","","","dichloromethane/diethylether","6","P b c a","-P 2ac 2ab","61","IBiox5.HOTf","Dispiro(cyclopentane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclopentane) trifluoromethylsulfonate","","- C16 H21 F3 N2 O5 S -","- C16 H21 F3 N2 O5 S -","- C128 H168 F24 N16 O40 S8 -","8","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0879","0.0591","","","0.1162","0.127","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113175","10.1279","0.0002","11.7194","0.0002","18.5299","0.0003","97.467","0.001","94.902","0.001","97.53","0.001","2150.13","0.07","100","","100","","","","","","","","dichloromethane/diethylether","6","P -1","-P 1","2","IBiox7.HOTf","cycloheptane-1,3'-(1,3)oxazolo(3',2':3,4)imidazoliumo(5,1-b)(1,3) oxazole-7',1""-cycloheptane trifluoromethylsulphonate","","- C20 H29 F3 N2 O5 S -","- C20 H28.773 F3 N2 O5 S -","- C80 H115.092 F12 N8 O20 S4 -","4","2","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1373","0.078","","","0.1685","0.1968","","","","","","1.013","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113176","10.5042","0.0001","21.4698","0.0003","10.3191","0.0001","90","","96.415","0.001","90","","2312.62","0.05","100","","100","","","","","","","","dichloromethane/hexane/diethylether","6","P 1 21/c 1","-P 2ybc","14","IBiox8.HOTf","Dispiro(cyclooctanane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclooctane) trifluoromethylsulfonate","","- C22 H33 F3 N2 O5 S -","- C22 H33 F3 N2 O5 S -","- C88 H132 F12 N8 O20 S4 -","4","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0567","0.0448","","","0.1232","0.1333","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113177","14.6777","0.0004","25.7698","0.0007","9.1906","0.0002","90","","90","","90","","3476.27","0.15","150","","150","","","","","","","","dichloromethane / heptane","7","P n m a","-P 2ac 2n","62","IBiox12.HOTf","4,7-di(spiro-cyclododecane)-6,9-dioxa-1,3-diazatricyclo[6.3.0.0^3,7^]- unadeca-7-ene-2-ium trifluoromethanesulfonate dichloromethane solvate","","- C31 H51 Cl2 F3 N2 O5 S -","- C31 H49 Cl1.98 F3 N2 O5 S -","- C124 H196 Cl7.92 F12 N8 O20 S4 -","4","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1128","0.064","","","0.1455","0.1701","","","","","","1.041","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113178","13.1029","0.0002","9.5315","0.0001","16.4726","0.0002","90","","105.399","0.001","90","","1983.41","0.04","100","","100","","","","","","","","d6-benzene","6","P 1 21/n 1","-P 2yn","14","(IBiox6)Ir(CO)2Cl","Dispiro(cyclohexane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclohexane-5'-ylidine))-dicarbonyl-chloro-iridium","","- C19 H24 Cl Ir N2 O4 -","- C19 H24 Cl Ir N2 O4 -","- C76 H96 Cl4 Ir4 N8 O16 -","4","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0305","0.0226","","","0.0569","0.0685","","","","","","1.177","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113179","13.2368","0.0002","11.6748","0.0001","13.6306","0.0001","90","","97.3395","0.0004","90","","2089.17","0.04","100","","100","","","","","","","","dichloromethane/hexane/ethylacetate","6","P 1 21/n 1","-P 2yn","14","((Ibiox7)PdCl2)2","Bis[Dispiro(cycloheptane-1,3'-(1,3)oxazolo(3',2':3,4)- imidazolo(5,1-b)(1,3)oxazole-7',1""-cycloheptane-5'-ylidine)-dichloro- palladium]","","- C38 H56 Cl4 N4 O4 Pd2 -","- C38 H56 Cl4 N4 O4 Pd2 -","- C76 H112 Cl8 N8 O8 Pd4 -","2","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0317","0.0282","","","0.0668","0.0687","","","","","","1.053","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113180","31.189","0.0017","8.7086","0.0004","23.9041","0.0011","90","","94.711","0.002","90","","6470.7","0.5","100","","100","","","","","","","","dichloromethane/hexane","6","C 1 2/c 1","-C 2yc","15","((Ibiox12)PdCl2)2 hexane sovate","Bis[dispiro(cyclododecane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclododecane-5'-ylidine)-dichloro-palladium] hexane solvate","","- C66 H114.75 Cl4 N4 O4 Pd2 -","- C65.96 Cl4 N4 O4 Pd2 -","- C263.84 Cl16 N16 O16 Pd8 -","4","0.5","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.1362","0.082","","","0.191","0.2211","","","","","","1.044","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113181","9.2288","0.0002","9.9771","0.0002","17.2853","0.0003","90","","93.873","0.001","90","","1587.94","0.05","100","","100","","","","","","","","dichloromethane/pentane","6","P 1 21/c 1","-P 2ybc","14","IBiox(Me)4.HOTf","4,4,11,11-tetramethyl-6,9-dioxa-1,3-diazatricyclo[6.3.0.0^3,7^]undeca- 7-ene-2-onium trifluoromethanesulfonate","","- C12 H17 F3 N2 O5 S -","- C12 H17 F3 N2 O5 S -","- C48 H68 F12 N8 O20 S4 -","4","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0893","0.0552","","","0.1599","0.1878","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113182","19.699","0.002","13.0798","0.0015","17.734","0.002","90","","90","","90","","4569.3","0.9","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","01013b","","","- C29 H37 Br4 Cl3 S6 Si4 -","- C29 H37 Br4 Cl3 S6 Si4 -","- C116 H148 Br16 Cl12 S24 Si16 -","4","0.5","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0796","0.0488","","","0.1113","0.133","","","","","","1.02","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113183","18.6063","0.0006","23.7325","0.0008","18.6074","0.0006","90","","90","","90","","8216.5","0.5","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Br4 S6 Si4 -","- C28 H36 Br4 S6 Si4 -","- C224 H288 Br32 S48 Si32 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.039","0.0303","","","0.0676","0.0716","","","","","","1.031","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113184","8.1993","0.0003","10.5684","0.0004","18.3955","0.0007","91.34","0.001","92.771","0.001","110.617","0.001","1488.81","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Br4 S14 Si4 -","- C50 H42 Br4 S14 Si4 -","- C50 H42 Br4 S14 Si4 -","1","0.5","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0401","0.0295","","","0.0698","0.0736","","","","","","1.029","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113185","12.471","0.003","13.846","0.003","31.152","0.007","90","","90","","90","","5379","2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Br2 S7 Si2 -","- C22 H18 Br2 S7 Si2 -","- C176 H144 Br16 S56 Si16 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.082","0.0678","","","0.1379","0.1421","","","","","","1.31","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113186","9.7758","0.0002","26.2874","0.0006","26.0709","0.0006","90","","100.202","0.001","90","","6593.8","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H55 Br6 Cl3 S9 Si6 -","- C43 H55 Br6 Cl3 S9 Si6 -","- C172 H220 Br24 Cl12 S36 Si24 -","4","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.0511","0.0326","","","0.0663","0.0713","","","","","","1.01","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113187","15.6127","0.0008","23.0208","0.0011","24.1039","0.0012","90","","105.807","0.001","90","","8335.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl6 N4 O2 Zr2 -","- C37 H46 Cl6 N4 O2 Zr2 -","- C296 H368 Cl48 N32 O16 Zr16 -","8","2","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0655","0.0349","","","0.0796","0.0901","","","","","","1.007","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113188","17.627","0.003","7.7849","0.0012","14.749","0.002","90","","90","","90","","2023.9","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","[Cp2]Zr{PhN(CH2)3NPh}","","","- C25 H26 N2 Zr -","- C25 H26 N2 Zr -","- C100 H104 N8 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0267","0.0265","","","0.064","0.0642","","","","","","1.146","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113189","43.912","0.007","16.786","0.003","11.467","0.002","90","","96.99","0.02","90","","8390","3","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106 H102 N4 Si2 Zr2 -","- C106 H102 N4 Si2 Zr2 -","- C424 H408 N16 Si8 Zr8 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0792","0.0397","","","0.1023","0.122","","","","","","1.167","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113190","11.7007","0.0006","12.3073","0.0007","13.5053","0.0007","72.136","0.001","75.959","0.001","67.825","0.001","1696.3","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 N2 Si Zr -","- C44 H40 N2 Si Zr -","- C88 H80 N4 Si2 Zr2 -","2","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0476","0.0319","","","0.0678","0.0712","","","","","","1.011","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113191","21.165","0.008","15.453","0.004","11.026","0.003","90","","99.97","0.03","90","","3551.7","1.9","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N2 Si Zr -","- C44 H42 N2 Si Zr -","- C176 H168 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0865","0.0545","","0.1636","","0.1334","","","1.1","","","1.058","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113192","12.8839","0.0009","14.7635","0.0009","17.5727","0.0012","90","","90","","90","","3342.5","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N2 Si Zr -","- C44 H40 N2 Si Zr -","- C176 H160 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0687","0.041","","","0.0527","0.0567","","","","","","0.916","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113193","10.3355","0.0006","12.1037","0.0007","14.8777","0.0008","93.503","0.001","97.219","0.001","107.125","0.001","1755.08","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 N2 Si Zr -","- C45 H42 N2 Si Zr -","- C90 H84 N4 Si2 Zr2 -","2","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0808","0.0453","","","0.0751","0.0814","","","","","","1.01","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113194","11.972","0.002","19.648","0.004","15.091","0.003","90","","109.265","0.003","90","","3351","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","rac-[Me2Si(indenyl)2]Zr{PhN(CH2)3NPh}","","","- C42 H42 N2 Si Zr -","- C42 H42 N2 Si Zr -","- C168 H168 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0464","0.0408","","","0.0923","0.0954","","","","","","1.101","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113195","31.469","0.006","10.855","0.002","14.079","0.004","90","","90","","90","","4809.3","1.9","213","2","213","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H32 Cl2 N2 O2 Zr -","- C22 H32 Cl2 N2 O2 Zr -","- C176 H256 Cl16 N16 O16 Zr8 -","8","0.5","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0283","0.023","","0.0597","","0.058","","","1.065","","","1.074","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113196","24.9766","0.0011","24.9766","0.0011","7.8479","0.0004","90","","90","","90","","4895.8","0.4","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C23 H32 Cl2 N2 O2 Zr -","- C23 H32 Cl2 N2 O2 Zr -","- C184 H256 Cl16 N16 O16 Zr8 -","8","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0365","0.0248","","","0.0708","0.0755","","","","","","0.997","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113197","12.7695","0.0013","8.9459","0.0008","15.7581","0.0016","90","","92.497","0.001","90","","1798.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 N8 Ni O8 -","- C28 H44 Cl2 N8 Ni O8 -","- C56 H88 Cl4 N16 Ni2 O16 -","2","0.5","","Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; Konstantin V. Luzyanin; Armando J. L. Pombeiro","An Efficient Synthesis of Phthalocyanines Based on an Unprecedented Double-Addition of Oximes to Phthalonitriles","Journal of the American Chemical Society","2004","126","","15040","15041","10.1021/ja046759i","","","0.71073","MoKα","","0.0901","0.0732","","","0.2161","0.2301","","","","","","1.095","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113198","10.6235","0.0011","9.2927","0.0006","17.5169","0.0015","90","","95.82","0.008","90","","1720.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cl2 N8 Ni O4 -","- C32 H44 Cl2 N8 Ni O4 -","- C64 H88 Cl4 N16 Ni2 O8 -","2","0.5","","Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; Konstantin V. Luzyanin; Armando J. L. Pombeiro","An Efficient Synthesis of Phthalocyanines Based on an Unprecedented Double-Addition of Oximes to Phthalonitriles","Journal of the American Chemical Society","2004","126","","15040","15041","10.1021/ja046759i","","","0.71073","MoKα","","0.0791","0.0516","","","0.1335","0.1519","","","","","","1.079","","","","has coordinates,has disorder","178902","2020-10-21","18:00:00",""
"4113199","10.4825","0.0008","11.3345","0.0009","11.5961","0.0008","106.522","0.004","109.206","0.004","110.491","0.004","1087.37","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl12 N8 Ni O4 -","- C30 H34 Cl12 N8 Ni O4 -","- C30 H34 Cl12 N8 Ni O4 -","1","0.5","","Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; Konstantin V. Luzyanin; Armando J. L. Pombeiro","An Efficient Synthesis of Phthalocyanines Based on an Unprecedented Double-Addition of Oximes to Phthalonitriles","Journal of the American Chemical Society","2004","126","","15040","15041","10.1021/ja046759i","","","0.71073","MoKα","","0.0576","0.0406","","","0.0954","0.1063","","","","","","1.12","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113200","66.959","0.013","18.977","0.004","32.682","0.007","90","","106.92","0.03","90","","39731","16","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C191.25 H179.25 Cl4 Mn4 N18 O1.75 P12 Re4 -","- C191.25 H179.25 Cl4 Mn4 N18 O1.75 P12 Re4 -","- C1530 H1434 Cl32 Mn32 N144 O14 P96 Re32 -","8","1","","Eric J. Schelter; Andrey V. Prosvirin; Kim R. Dunbar","Molecular Cube of ReII and MnII That Exhibits Single-Molecule Magnetism","Journal of the American Chemical Society","2004","126","","15004","15005","10.1021/ja047088r","","","0.71073","MoKα","","0.115","0.0651","","","0.154","0.1765","","","","","","1.025","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113201","8.205","0.002","10.282","0.002","34.245","0.008","90","","93.1","0.01","90","","2884.8","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Cl N O3 Pd0.5 -","- C28 H41 Cl N O3 Pd0.5 -","- C112 H164 Cl4 N4 O12 Pd2 -","4","1","","Bertrand Donnio; Benoît Heinrich; Hassan Allouchi; Jens Kain; Siegmar Diele; Daniel Guillon; Duncan W. Bruce","A Generalized Model for the Molecular Arrangement in the Columnar Mesophases of Polycatenar Mesogens. Crystal and Molecular Structure of Two Hexacatenar Mesogens","Journal of the American Chemical Society","2004","126","","15258","15268","10.1021/ja0471673","","","0.71069","MoKα","","0.1384","0.1049","","","0.2046","0.2216","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113202","8.9605","0.0003","9.0629","0.0003","23.428","0.0008","85.958","0.001","89.673","0.001","85.248","0.002","1891.29","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H59 Cl N O3 Pd0.5 -","- C37 H59 Cl N O3 Pd0.5 -","- C74 H118 Cl2 N2 O6 Pd -","2","1","","Bertrand Donnio; Benoît Heinrich; Hassan Allouchi; Jens Kain; Siegmar Diele; Daniel Guillon; Duncan W. Bruce","A Generalized Model for the Molecular Arrangement in the Columnar Mesophases of Polycatenar Mesogens. Crystal and Molecular Structure of Two Hexacatenar Mesogens","Journal of the American Chemical Society","2004","126","","15258","15268","10.1021/ja0471673","","","0.71069","MoKα","","0.1005","0.0523","","","0.1","0.1162","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113203","6.2902","0.001","8.6138","0.0011","29.089","0.004","90","","94.301","0.006","90","","1571.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30.8 Br0.24 N4 S4 -","- C34 H30.796 Br0.24 N4 S4 -","- C68 H61.592 Br0.48 N8 S8 -","2","0.5","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.55","synchrotron","","0.0939","0.0725","","","0.1943","0.2092","","","","","","1.21","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113204","5.6513","0.0009","15.832","0.003","19.096","0.003","98.562","0.007","90.409","0.007","93.139","0.007","1686.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","CMC165b","","","- C36 H42 N4 S3 -","- C36 H42 N4 S3 -","- C72 H84 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.55","synchrotron","","0.0606","0.0466","","","0.1295","0.1387","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113205","8.467","0.0014","12.873","0.002","19.364","0.005","104.072","0.015","102.56","0.014","96.391","0.014","1968","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H50 N4 S3 -","- C43 H50 N4 S3 -","- C86 H100 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.71073","MoKα","","0.088","0.056","","","0.1175","0.127","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113206","6.555","0.002","14.858","0.007","18.269","0.008","93.214","0.016","96.441","0.017","94.512","0.017","1758.8","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 N4 S3 -","- C36 H42 N4 S3 -","- C72 H84 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.55936","synchrotron","","0.1082","0.0789","","","0.215","0.2388","","","","","","1.104","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113207","7.951","0.003","13.212","0.004","13.936","0.004","95.876","0.006","98.489","0.006","97.492","0.006","1424.5","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","03138","","","- C30 H30 N4 S3 -","- C30 H30 N4 S3 -","- C60 H60 N8 S6 -","2","1","","Daron E. Janzen; Michael W. Burand; Paul C. Ewbank; Ted M. Pappenfus; Hiroyuki Higuchi; Demetrio A. da Silva Filho; Victor G. Young; Jean-Luc Brédas; Kent R. Mann","Preparation and Characterization of π-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations","Journal of the American Chemical Society","2004","126","","15295","15308","10.1021/ja0484597","","","0.71073","MoKα","","0.1434","0.0503","","","0.0947","0.1215","","","","","","0.963","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113208","11.761","0.005","12.343","0.006","13.096","0.006","115.826","0.007","108.787","0.007","96.105","0.008","1550.7","1.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H25 F12 Fe2 N7 O P2 S2 -","- C17 H25 F12 Fe2 N7 O P2 S2 -","- C34 H50 F24 Fe4 N14 O2 P4 S4 -","2","1","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.086","0.0465","","","0.0924","0.1027","","","","","","0.936","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113209","14.343","0.008","14.66","0.009","14.927","0.009","85.149","0.01","63.442","0.009","69.038","0.009","2611","3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H119 F24 Fe4 N13 O2 P4 S4 -","- C68 H119 F24 Fe4 N13 O2 P4 S4 -","- C68 H119 F24 Fe4 N13 O2 P4 S4 -","1","0.5","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.0485","0.0367","","","0.0928","0.0988","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113210","11.926","0.008","12.433","0.008","13.286","0.009","116.384","0.009","110.444","0.01","95.077","0.011","1582.4","1.8","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H27 F12 Fe2 N7 O P2 S2 -","- C18 H27 F12 Fe2 N7 O P2 S2 -","- C36 H54 F24 Fe4 N14 O2 P4 S4 -","2","1","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.0653","0.0428","","","0.1006","0.1091","","","","","","1.019","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113211","13.345","0.003","12.306","0.003","19.82","0.005","90","","95.253","0.004","90","","3241.2","1.4","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 F12 Fe2 N7 O P2 S2 -","- C16 H24 F12 Fe2 N6 O P2 S2 -","- C64 H96 F48 Fe8 N24 O4 P8 S8 -","4","1","","Christine A. Boyke; Thomas B. Rauchfuss; Scott R. Wilson; Marie-Madeleine Rohmer; Marc Bénard","[Fe2(SR)2(μ-CO)(CNMe)6]2+ and Analogues: A New Class of Diiron Dithiolates as Structural Models for the Hox Air State of the Fe-Only Hydrogenase","Journal of the American Chemical Society","2004","126","","15151","15160","10.1021/ja049050k","","","0.71073","MoKα","","0.0807","0.0528","","","0.1254","0.1358","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113212","12.3478","0.0019","22.777","0.004","16.82","0.003","90","","108.576","0.002","90","","4484.1","1.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H29 B Cl F20 Zr -","- C50 H29 B Cl F20 Zr -","- C200 H116 B4 Cl4 F80 Zr4 -","4","1","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0501","0.0472","","","0.1305","0.1327","","","","","","1.076","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113213","12.9049","0.0019","13.95","0.002","15.185","0.002","68.011","0.003","72.658","0.003","63.847","0.003","2246","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H34 B Cl F20 Zr -","- C50 H34 B Cl F20 Zr -","- C100 H68 B2 Cl2 F40 Zr2 -","2","1","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0448","0.0413","","","0.1018","0.1044","","","","","","1.088","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113214","10.782","0.002","15.153","0.003","15.649","0.003","71.731","0.003","79.008","0.003","78.605","0.003","2357.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H35 B Cl2 F20 Zr -","- C50 H35 B Cl2 F20 Zr -","- C100 H70 B2 Cl4 F40 Zr2 -","2","1","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0648","0.0618","","","0.1621","0.1647","","","","","","1.087","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113215","10.892","0.002","13.812","0.003","32.591","0.006","78.354","0.003","82.377","0.003","83.618","0.003","4741.6","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H37 B Cl F20 N Zr -","- C52 H37 B Cl F20 N Zr -","- C208 H148 B4 Cl4 F80 N4 Zr4 -","4","2","","Fan Wu; Aswini K. Dash; Richard F. Jordan","Structures and Reactivity of Zr(IV) Chlorobenzene Complexes","Journal of the American Chemical Society","2004","126","","15360","15361","10.1021/ja044303v","","","0.71073","MoKα","","0.0572","0.0492","","","0.1031","0.1067","","","","","","1.19","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113216","9.731","0.004","9.878","0.004","11.256","0.005","66.441","0.006","84.297","0.007","73.066","0.007","948.6","0.7","159","","159","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 O10 Rh2 -","- C38 H52 O10 Rh2 -","- C38 H52 O10 Rh2 -","1","0.5","","Christine G. Espino; Kristin Williams Fiori; Mihyong Kim; J. Du Bois","Expanding the Scope of C-H Amination through Catalyst Design","Journal of the American Chemical Society","2004","126","","15378","15379","10.1021/ja0446294","","","0.71073","MoKα","","0.0375","0.0268","","","0.0554","0.0567","","","","","","0.947","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113217","10.9113","0.0002","17.3319","0.0002","19.6884","0.0004","64.4415","0.0005","90.0332","0.0006","78.416","0.0011","3274.52","0.1","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C64 H76 Cl N5 O17 -","- C64 H76 Cl N5 O17 -","- C128 H152 Cl2 N10 O34 -","2","1","","Mark R. Sambrook; Paul D. Beer; James A. Wisner; Rowena L. Paul; Andrew R. Cowley","Anion-Templated Assembly of a [2]Catenane","Journal of the American Chemical Society","2004","126","","15364","15365","10.1021/ja045080b","","","0.71073","MoKα","","0.1821","0.1082","","0.1448","0.1181","0.1181","","","","","","1.0644","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113218","10.7752","0.0015","14.371","0.002","8.067","0.0012","90","","93.868","0.011","90","","1246.3","0.3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl -","- C18 H11 Cl -","- C72 H44 Cl4 -","4","1","","Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao","Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives","Journal of the American Chemical Society","2004","126","","15322","15323","10.1021/ja045208p","","","0.71073","MoKα","","0.2112","0.039","","0.144","0.0418","0.0418","","","","","","1.1525","","","","has coordinates","209444","2020-10-21","18:00:00",""
"4113219","3.8607","0.0012","8.664","0.003","19.686","0.005","93.37","0.03","92.02","0.02","99.47","0.03","647.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","trans di-chloro tetracene","","","- C18 H10 Cl2 -","- C18 H10 Cl2 -","- C36 H20 Cl4 -","2","1","","Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao","Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives","Journal of the American Chemical Society","2004","126","","15322","15323","10.1021/ja045208p","","","0.71073","MoKα","","0.2283","0.0534","","","0.1136","0.1925","","","","","","0.713","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4113220","10.8526","0.0015","14.396","0.002","8.177","0.0012","90","","93.091","0.011","90","","1275.7","0.3","293","","293","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br -","- C18 H11 Br -","- C72 H44 Br4 -","4","1","","Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao","Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives","Journal of the American Chemical Society","2004","126","","15322","15323","10.1021/ja045208p","","","0.71073","MoKα","","0.1705","0.0483","","0.142","0.1132","0.1132","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113221","9.2912","0.0001","19.79","0.0002","17.9581","0.0002","90","","96.8958","0.0008","90","","3278.12","0.06","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 F6 N4 O2 P Ru -","- C31 H38 F6 N4 O2 P Ru -","- C124 H152 F24 N16 O8 P4 Ru4 -","4","1","","Wai-Lun Man; William W. Y. Lam; Shek-Man Yiu; Tai-Chu Lau; Shie-Ming Peng","Direct Aziridination of Alkenes by a Cationic (Salen)ruthenium(VI) Nitrido Complex","Journal of the American Chemical Society","2004","126","","15336","15337","10.1021/ja045845f","","","0.71073","MoKα","","0.0595","0.0366","","","0.0838","0.091","","","","","","1.021","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113222","10.7773","0.0008","11.4121","0.0009","14.2929","0.0011","107.279","0.002","96.02","0.002","98.386","0.002","1640.1","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H37 F6 N5 O2 P Ru -","- C33 H37 F6 N5 O2 P Ru -","- C66 H74 F12 N10 O4 P2 Ru2 -","2","1","","Wai-Lun Man; William W. Y. Lam; Shek-Man Yiu; Tai-Chu Lau; Shie-Ming Peng","Direct Aziridination of Alkenes by a Cationic (Salen)ruthenium(VI) Nitrido Complex","Journal of the American Chemical Society","2004","126","","15336","15337","10.1021/ja045845f","","","0.71073","MoKα","","0.0911","0.0752","","","0.1805","0.1903","","","","","","1.155","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113223","6.486","0.0004","28.861","0.002","10.7107","0.0009","90","","90","","90","","2005","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O2 -","- C23 H30 N2 O2 -","- C92 H120 N8 O8 -","4","1","","Puay-Wah Phuan; James C. Ianni; Marisa C. Kozlowski","Is the A-Ring of Sparteine Essential for High Enantioselectivity in the Asymmetric Lithiation-Substitution of N-Boc-pyrrolidine?","Journal of the American Chemical Society","2004","126","","15473","15479","10.1021/ja046321i","","","0.71073","MoKα","","0.0818","0.0627","","","0.1528","0.1661","","","","","","1.218","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113224","10.6236","0.0013","10.7904","0.0011","11.9528","0.0014","90","","91.771","0.001","90","","1369.5","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H23 I N2 -","- C11 H23 I N2 -","- C44 H92 I4 N8 -","4","2","","Puay-Wah Phuan; James C. Ianni; Marisa C. Kozlowski","Is the A-Ring of Sparteine Essential for High Enantioselectivity in the Asymmetric Lithiation-Substitution of N-Boc-pyrrolidine?","Journal of the American Chemical Society","2004","126","","15473","15479","10.1021/ja046321i","","","0.71069","MoKα","","0.0329","0.0305","","","0.0725","0.074","","","","","","1.035","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113225","15.288","0.003","15.288","0.003","15.663","0.006","90","","90","","120","","3170.3","1.5","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C21 H21.5 Eu Mn1.5 N3 O18.25 -","- C21 H9 Eu Mn1.5 N3 O18.25 -","- C84 H36 Eu4 Mn6 N12 O73 -","4","0.166667","","Bin Zhao; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Coordination Polymers Containing 1D Channels as Selective Luminescent Probes","Journal of the American Chemical Society","2004","126","","15394","15395","10.1021/ja047141b","","","0.71073","MoKα","","0.0584","0.0283","","","0.065","0.0765","","","","","","0.997","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113226","15.351","0.004","15.351","0.004","15.812","0.008","90","","90","","120","","3227","2","273","2","273","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C21 H21.5 Mn1.5 N3 O18.25 Tb -","- C21 H9 Mn1.5 N3 O18.25 Tb -","- C84 H36 Mn6 N12 O73 Tb4 -","4","0.166667","","Bin Zhao; Xiao-Yan Chen; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Coordination Polymers Containing 1D Channels as Selective Luminescent Probes","Journal of the American Chemical Society","2004","126","","15394","15395","10.1021/ja047141b","","","0.71073","MoKα","","0.0717","0.0341","","","0.0959","0.1162","","","","","","1.146","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113227","11.939","0.008","23.478","0.005","11.471","0.004","91.86","0.02","112.61","0.03","97.45","0.04","2931","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","stannaneselone","","","- C51 H84 Se Si6 Sn -","- C51 H84 Se Si6 Sn -","- C102 H168 Se2 Si12 Sn2 -","2","1","","Masaichi Saito; Norihiro Tokitoh; Renji Okazaki","Tin-Chalcogen Double-Bond Compounds, Stannanethione and Stannaneselone: Synthesis, Structure, and Reactivities","Journal of the American Chemical Society","2004","126","","15572","15582","10.1021/ja048453h","","","0.71069","MoKα","","0.3159","0.1037","","","0.2125","0.3177","","","","","","1.011","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113228","11.316","0.009","6.229","0.005","15.518","0.013","90","","97.375","0.014","90","","1084.8","1.5","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Vincent Mascitti; E. J. Corey","Total Synthesis of (\±)-Pentacycloanammoxic Acid","Journal of the American Chemical Society","2004","126","","15664","15665","10.1021/ja044089a","","","0.71073","MoKα","","0.0554","0.0471","","","0.1203","0.1265","","","","","","1.034","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113229","11.59","0.007","7.564","0.005","25.78","0.02","90","","97.05","0.04","90","","2243","3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br2 N2 O4 -","- C24 H22 Br2 N2 O4 -","- C96 H88 Br8 N8 O16 -","4","1","","Vincent Mascitti; E. J. Corey","Total Synthesis of (\±)-Pentacycloanammoxic Acid","Journal of the American Chemical Society","2004","126","","15664","15665","10.1021/ja044089a","","","0.71073","MoKα","","0.0851","0.0665","","","0.108","0.1129","","","","","","1.29","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113230","10.911","0.001","5.8659","0.0007","11.923","0.001","90","","96.868","0.002","90","","757.63","0.13","173.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N O S -","- C15 H25 N O S -","- C30 H50 N2 O2 S2 -","2","1","","Takuya Kochi; Jonathan A. Ellman","Asymmetric α-Alkylation of N'-tert-Butanesulfinyl Amidines. Application to the Total Synthesis of (6R,7S)-7-Amino-7,8-dihydro-α-bisabolene","Journal of the American Chemical Society","2004","126","","15652","15653","10.1021/ja044753n","","","0.7107","MoKα","","","0.0616","","","","0.0647","","","","","","1.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113231","16.5705","0.0011","17.2926","0.0011","18.6213","0.0012","64.97","0.001","67.295","0.001","65.611","0.001","4256.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H139 Dy4 Mn11 N20 O66 -","- C141 H127 Dy4 Mn11 N19 O66 -","- C141 H127 Dy4 Mn11 N19 O66 -","1","0.5","","Abhudaya Mishra; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Initial Observation of Magnetization Hysteresis and Quantum Tunneling in Mixed Manganese-Lanthanide Single-Molecule Magnets","Journal of the American Chemical Society","2004","126","","15648","15649","10.1021/ja0452727","","","0.71073","MoKα","","0.0773","0.0425","","","0.1006","0.1099","","","","","","0.926","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113232","8.484","0.0001","12.8058","0.0002","9.7203","0.0002","90","","115.088","0.0007","90","","956.43","0.03","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 P2 -","- C10 H10 P2 -","- C40 H40 P8 -","4","1","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0395","0.0391","","","0.0986","0.099","","","","","","1.082","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113233","14.1998","0.0002","13.4147","0.0001","21.2357","0.0003","90","","98.0005","0.0005","90","","4005.73","0.09","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 F6 O7 P2 S2 -","- C12 H14 F6 O7 P2 S2 -","- C96 H112 F48 O56 P16 S16 -","8","2","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0437","0.0389","","","0.0916","0.095","","","","","","1.05","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113234","10.5319","0.0002","18.005","0.0005","7.3227","0.0001","90","","90","","90","","1388.58","0.05","143","2","143","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C11 H11 F3 O3 P2 S -","- C11 H11 F3 O3 P2 S -","- C44 H44 F12 O12 P8 S4 -","4","0.5","","Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur","Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene","Journal of the American Chemical Society","2004","126","","15833","15843","10.1021/ja045460x","","","0.71073","MoKα","","0.0394","0.0374","","","0.0934","0.0947","","","","","","1.06","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113235","21.247","0.003","18.09","0.002","20.065","0.002","90","","90","","90","","7712.1","1.6","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Au2(PAnP)(NO3)2+0.5Et2O","","","- C40 H33 Au2 N2 O6.5 P2 -","- C40 H33 Au2 N2 O6.5 P2 -","- C320 H264 Au16 N16 O52 P16 -","8","1","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.0753","0.053","","","0.1215","0.1323","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113236","28.309","0.0013","24.2881","0.0011","10.6225","0.0005","90","","95.253","0.001","90","","7273.1","0.6","295","2","295","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","(1+An)(OTf)4","","","- C114 H82 Au4 F12 N4 O12 P4 S4 -","- C114 H82 Au4 F12 N4 O12 P4 S4 -","- C228 H164 Au8 F24 N8 O24 P8 S8 -","2","0.25","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.0945","0.0659","","","0.2158","0.2375","","","","","","1.04","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113237","27.4266","0.0017","21.6592","0.0015","23.647","0.0016","90","","90","","90","","14047.2","1.6","295","2","295","2","","","","","","","","9","P n n m","-P 2 2n","58","(1+Br-An)(OTf)4+Et2O","","","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C118 H90 Au4 Br F12 N4 O13 P4 S4 -","- C472 H360 Au16 Br4 F48 N16 O52 P16 S16 -","4","0.5","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1191","0.066","","","0.2076","0.2444","","","","","","1.047","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113238","28.406","0.002","24.235","0.0016","10.7465","0.0008","90","","94.496","0.002","90","","7375.3","0.9","295","2","295","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","(1+Py)(OTf)4+CH2Cl2","","","- C117 H84 Au4 Cl2 F12 N4 O12 P4 S4 -","- C117 H80.6 Au4 Cl2 F12 N4 O12 P4 S4 -","- C234 H161.2 Au8 Cl4 F24 N8 O24 P8 S8 -","2","0.25","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1452","0.0705","","","0.1948","0.2321","","","","","","0.941","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113239","28.242","0.004","24.405","0.004","10.3082","0.0016","90","","96.392","0.003","90","","7060.7","1.9","193","2","193","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","1(OTf)4+4.8H2O","","","- C100 H72 Au4 F12 N4 O16.8 P4 S4 -","- C100 H72 Au4 F12 N4 O16.8 P4 S4 -","- C200 H144 Au8 F24 N8 O33.6 P8 S8 -","2","0.25","","Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho","Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle","Journal of the American Chemical Society","2004","126","","15852","15869","10.1021/ja0456508","","","0.71073","MoKα","","0.1365","0.0748","","","0.2187","0.2426","","","","","","0.968","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113240","8.074","0.003","12.108","0.004","10.5053","0.0016","90","","112.46","0.02","90","","949.1","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl N2 -","- C9 H11 Cl N2 -","- C36 H44 Cl4 N8 -","4","1","","Dongbin Zhao; Zhaofu Fei; Tilmann J. Geldbach; Rosario Scopelliti; Paul J. Dyson","Nitrile-Functionalized Pyridinium Ionic Liquids: Synthesis, Characterization, and Their Application in Carbon-Carbon Coupling Reactions","Journal of the American Chemical Society","2004","126","","15876","15882","10.1021/ja0463482","","","0.71073","MoKα","","0.0604","0.0528","","","0.1301","0.1398","","","","","","1.093","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113241","14.142","0.007","10.421","0.005","15.367","0.003","90","","104.78","0.03","90","","2189.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl4 N4 Pd -","- C18 H22 Cl4 N4 Pd -","- C72 H88 Cl16 N16 Pd4 -","4","1","","Dongbin Zhao; Zhaofu Fei; Tilmann J. Geldbach; Rosario Scopelliti; Paul J. Dyson","Nitrile-Functionalized Pyridinium Ionic Liquids: Synthesis, Characterization, and Their Application in Carbon-Carbon Coupling Reactions","Journal of the American Chemical Society","2004","126","","15876","15882","10.1021/ja0463482","","","0.71073","MoKα","","0.082","0.0436","","","0.0951","0.1108","","","","","","0.944","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113242","13.2666","0.0007","17.4832","0.001","19.2115","0.001","90","","95.855","0.001","90","","4432.7","0.4","98","2","98","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H50 B F3 O5 P2 Pd S -","- C47 H50 B F3 O5 P2 Pd S -","- C188 H200 B4 F12 O20 P8 Pd4 S4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.0805","0.0478","","","0.0701","0.0728","","","","","","1.743","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113243","16.3584","0.0011","17.415","0.0012","19.5418","0.0013","90","","112.188","0.001","90","","5154.9","0.6","98","2","98","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 B Cl4 F3 N O3 P2 Pd S -","- C52 H47 B Cl4 F3 N O3 P2 Pd S -","- C208 H188 B4 Cl16 F12 N4 O12 P8 Pd4 S4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.082","0.0489","","","0.0802","0.083","","","","","","1.94","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4113244","12.9776","0.0011","19.4418","0.0016","18.1205","0.0015","90","","107.57","0.001","90","","4358.7","0.6","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 B N P2 Pd -","- C52 H60 B N P2 Pd -","- C208 H240 B4 N4 P8 Pd4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.0777","0.0497","","","0.0953","0.0987","","","","","","1.745","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113245","11.6163","0.001","29.268","0.002","11.5305","0.0009","90","","113.573","0.001","90","","3593.1","0.5","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 B N P2 Pd -","- C43 H44 B N P2 Pd -","- C172 H176 B4 N4 P8 Pd4 -","4","1","","Connie C. Lu; Jonas C. Peters","Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center","Journal of the American Chemical Society","2004","126","","15818","15832","10.1021/ja046415s","","","0.71073","MoKα","","0.0806","0.0485","","","0.087","0.09","","","","","","1.607","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113246","16.434","0.0014","19.9138","0.0018","20.3375","0.0018","71.255","0.002","70.065","0.002","74.827","0.002","5837.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","triclinic","","- C114 H202 I14 N30 Ni6 O41 -","- C114 H168 I14.004 N30 Ni6 O41 -","- C114 H168 I14.004 N30 Ni6 O41 -","1","0.5","","Hye Jin Choi; Myunghyun Paik Suh","Dynamic and Redox Active Pillared Bilayer Open Framework: Single-Crystal-to-Single-Crystal Transformations upon Guest Removal, Guest Exchange, and Framework Oxidation","Journal of the American Chemical Society","2004","126","","15844","15851","10.1021/ja0466715","","","0.71073","MoKα","","0.4654","0.1547","","","0.3337","0.496","","","","","","0.922","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113247","22.367","0.005","14.922","0.003","11.941","0.002","90","","100.33","0.03","90","","3920.8","1.4","253","2","253","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C160 H240 N16 O24 -","8","1","","Fei Chen; Nian-Yong Zhu; Dan Yang","γ4-Aminoxy Peptides as New Peptidomimetic Foldamers","Journal of the American Chemical Society","2004","126","","15980","15981","10.1021/ja044493+","","","0.71073","MoKα","","0.0544","0.0358","","","0.0865","0.0905","","","","","","0.939","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113248","12.8646","0.0001","15.9762","0.0002","32.8003","0.0005","90.708","0.001","95.949","0.001","97.278","0.001","6648.81","0.14","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H58 N6 -","- C55 H58 N6 -","- C330 H348 N36 -","6","3","","Piotr Piątek; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole[2]carbazole: A New Kind of Expanded Calixpyrrole","Journal of the American Chemical Society","2004","126","","16073","16076","10.1021/ja045218q","","","0.71073","MoKα","","0.1784","0.0749","","","0.1503","0.1803","","","","","","1.131","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113249","12.763","0.0002","15.757","0.0003","35.14","0.0007","90","","99.712","0.001","90","","6965.6","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H89 Cl2 N7 O2 -","- C73 H87 N7 O2 -","- C292 H348 N28 O8 -","4","1","","Piotr Piątek; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole[2]carbazole: A New Kind of Expanded Calixpyrrole","Journal of the American Chemical Society","2004","126","","16073","16076","10.1021/ja045218q","","","0.71073","MoKα","","0.193","0.1038","","","0.2047","0.2126","","","","","","2.623","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113250","12.5767","0.0005","13.2311","0.0006","17.2462","0.0008","90","","101.968","0.001","90","","2807.4","0.2","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O -","- C18 H20 O -","- C144 H160 O8 -","8","2","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium- and Platinum-Catalyzed Sequential Reactions: Selective Synthesis of Fused Polycyclic Compounds from Propargylic Alcohols and Alkenes","Journal of the American Chemical Society","2004","126","","16066","16072","10.1021/ja045532k","","","0.7107","MoKα","","","0.046","","","","0.1","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113251","9.9986","0.0001","11.8266","0.0001","13.6183","0.0002","90","","113.437","0.0005","90","","1477.5","0.03","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Li2 N4 -","- C30 H50 Li2 N4 -","- C60 H100 Li4 N8 -","2","0.5","","Anne M. Arink; Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Martin Lutz; Anthony L. Spek; Robert A. Gossage; Gerard van Koten","Diastereoselective Self-Assembly of Chiral Diamine-Chelated Aryllithiums to Dimeric Aggregates","Journal of the American Chemical Society","2004","126","","16249","16258","10.1021/ja045914q","","","0.71073","MoKα","","0.0524","0.0364","","","0.0902","0.0993","","","","","","0.955","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113252","9.6895","0.0001","17.262","0.0002","16.2017","0.0002","90","","94.7843","0.0005","90","","2700.46","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H42 Li2 N4 -","- C26 H42 Li2 N4 -","- C104 H168 Li8 N16 -","4","2","","Anne M. Arink; Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Martin Lutz; Anthony L. Spek; Robert A. Gossage; Gerard van Koten","Diastereoselective Self-Assembly of Chiral Diamine-Chelated Aryllithiums to Dimeric Aggregates","Journal of the American Chemical Society","2004","126","","16249","16258","10.1021/ja045914q","","","0.71073","MoKα","","0.0438","0.0365","","","0.0855","0.0904","","","","","","1.041","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4113253","19.4347","0.0003","19.4347","0.0003","30.1815","0.0005","90","","90","","120","","9872.5","0.3","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C53 H56 B2 N2 O9 -","- C53 H56 B2 N2 O9 -","- C318 H336 B12 N12 O54 -","6","1","","Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James","An Enantioselective Fluorescent Sensor for Sugar Acids","Journal of the American Chemical Society","2004","126","","16179","16186","10.1021/ja046289s","","","0.7107","MoKα","","0.0843","0.069","","","0.1822","0.1927","","","","","","1.025","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113254","12.425","0.0003","25.943","0.0006","14.708","0.0005","90","","114.259","0.001","90","","4322.4","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92.5 H93 B4 Cl N4 O8 -","- C92.5 H93 B4 Cl N4 O8 -","- C185 H186 B8 Cl2 N8 O16 -","2","1","","Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James","An Enantioselective Fluorescent Sensor for Sugar Acids","Journal of the American Chemical Society","2004","126","","16179","16186","10.1021/ja046289s","","","0.71073","MoKα","","0.137","0.0627","","","0.1265","0.1493","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113255","6.9969","0.0004","11.1153","0.0006","18.5163","0.001","90","","90","","90","","1440.06","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0359","0.0319","","","0.0862","0.0886","","","","","","1.047","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113256","12.531","0.003","16.867","0.005","25.965","0.007","90","","90","","90","","5488","3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C26 H39 N O8 -","- C26 H39 N O8 -","- C208 H312 N8 O64 -","8","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0751","0.0525","","","0.1308","0.1439","","","","","","1.026","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113257","10.73","0.005","10.766","0.005","52.83","0.02","90","","90","","90","","6103","5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C13 H20 Cl N O5 -","- C13 H20 Cl N O5 -","- C208 H320 Cl16 N16 O80 -","16","2","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0612","0.0523","","","0.1403","0.145","","","","","","1.075","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113258","5.5129","0.0015","9.654","0.003","13","0.004","90","","90.156","0.006","90","","691.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 Cl O4 -","- C13 H19 Cl O4 -","- C26 H38 Cl2 O8 -","2","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.1098","0.0587","","","0.1164","0.1406","","","","","","1.062","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113259","12.8412","0.001","14.5056","0.0008","13.9932","0.0009","90","","96.064","0.003","90","","2591.9","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Au2 Cu N5 O -","- C7 H7 Au2 Cu N5 O -","- C56 H56 Au16 Cu8 N40 O8 -","8","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","1.5418","CuKα","","0.0614","0.0315","","0.0882","0.0456","0.0456","","","","","","0.9297","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113260","7.3438","0.0007","14.1201","0.001","8.2696","0.0006","90","","94.082","0.003","90","","855.34","0.12","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Au Cu0.5 N3 -","- C7 H5 Au Cu0.5 N3 -","- C28 H20 Au4 Cu2 N12 -","4","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","1.5418","CuKα","","0.047","0.0276","","0.1253","0.0401","0.0401","","","","","","0.9969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113261","7.874","0.007","12.761","0.011","16.207","0.013","89.61","0.07","82.29","0.07","88.57","0.07","1613","2","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Au4 Cu2 N8 O4 S4 -","- C16 H24 Au4 Cu2 N8 O4 S4 -","- C32 H48 Au8 Cu4 N16 O8 S8 -","2","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","1.5418","CuKα","","0.1646","0.0618","","0.1858","0.0824","0.0824","","","","","","1.3755","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113262","11.5449","0.0015","14.191","0.004","11.5895","0.0012","90","","112.536","0.009","90","","1753.8","0.6","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Au Cu0.5 N2 O S -","- C4 H6 Au Cu0.5 N2 O S -","- C32 H48 Au8 Cu4 N16 O8 S8 -","8","1","","Julie Lefebvre; Raymond J. Batchelor; Daniel B. Leznoff","Cu[Au(CN)2]2(DMSO)2: Golden Polymorphs That Exhibit Vapochromic Behavior","Journal of the American Chemical Society","2004","126","","16117","16125","10.1021/ja049069n","","","0.7093","MoKα","","0.0845","0.042","","0.0485","0.0467","0.0467","","","","","","2.2018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113263","13.872","0.0006","16.94","0.003","8.902","0.002","90","","91.455","0.007","90","","2091.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,4-Bis(3-methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-1,3-cyclobutanedi carboxylate","","- C36 H36 O12 S2 -","- C36 H36 O12 S2 -","- C72 H72 O24 S4 -","2","0.5","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0907","0.0683","","","0.1908","0.2071","","","","","","0.952","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113264","7.326","0.0002","8.5","0.0007","25.929","0.002","90","","90","","90","","1614.62","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2E)-3-{3-Methoxy-4-[(phenylsulfonyl)oxy]phenyl}-2-propenoate","","- C17 H16 O6 S -","- C17 H16 O6 S -","- C68 H64 O24 S4 -","4","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0495","0.0321","","","0.069","0.0736","","","","","","0.716","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113265","7.57","0.001","7.95","0.0007","16.652","0.002","90.097","0.007","83.386","0.006","64.27","0.006","895.27","0.18","296","","","","","","","","","","","5","P -1","-P 1","2","","Methyl (2E)-3-(3-Methoxy-4-{[(2-nitrophenyl)sulfonyl]oxy}phenyl)-2-propenoate","","- C17 H15 N O8 S -","- C17 H15 N O8 S -","- C34 H30 N2 O16 S2 -","2","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0529","0.0434","","","0.1176","0.125","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113266","24.603","0.002","8.858","0.0009","15.656","0.002","90","","91.735","0.006","90","","3410.4","0.6","100","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl (2E)-3-(3-Methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-propenoate","","- C18 H18 O6 S -","- C18 H18 O6 S -","- C144 H144 O48 S8 -","8","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0521","0.045","","","0.1173","0.1226","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113267","11.931","0.003","6.648","0.0007","19.006","0.004","90","","100.632","0.009","90","","1481.6","0.5","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(4-nitrophenyl) Bis(4-hydroxy-3-methoxyphenyl)-1,2-cyclobutanedicarboxylate","","- C32 H26 N2 O12 -","- C32 H26 N2 O12 -","- C64 H52 N4 O24 -","2","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.1134","0.0496","","","0.1064","0.1305","","","","","","0.966","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113268","9.073","0.0012","17.118","0.004","13.309","0.003","90","","117.935","0.013","90","","1826.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,4-Bis(3-methoxy-4-{[(2-nitrophenyl)sulfonyl]oxy}phenyl)-1,3-cyclobutanedic arboxylate","","- C34 H30 N2 O16 S2 -","- C34 H30 N2 O16 S2 -","- C68 H60 N4 O32 S4 -","2","0.5","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.1291","0.0817","","","0.221","0.2574","","","","","","1.03","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113269","11.738","0.002","7.3775","0.0015","15.207","0.003","90","","100.55","0.03","90","","1294.6","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 O6 S -","- C29 H36 O6 S -","- C58 H72 O12 S2 -","2","1","","Andrew Nickel; Toru Maruyama; Haifeng Tang; Prescott D. Murphy; Blake Greene; Naeem Yusuff; John L. Wood","Total Synthesis of Ingenol","Journal of the American Chemical Society","2004","126","","16300","16301","10.1021/ja044123l","","","0.71073","MoKα","","0.1404","0.0695","","","0.125","0.1535","","","","","","1.033","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113270","6.8238","0.0014","8.4032","0.0017","15.301","0.003","90","","94.76","0.03","90","","874.4","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Andrew Nickel; Toru Maruyama; Haifeng Tang; Prescott D. Murphy; Blake Greene; Naeem Yusuff; John L. Wood","Total Synthesis of Ingenol","Journal of the American Chemical Society","2004","126","","16300","16301","10.1021/ja044123l","","","0.71073","MoKα","","0.1088","0.0582","","","0.1099","0.1277","","","","","","1.02","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113271","17.5814","0.001","17.6895","0.001","18.7229","0.0011","90","","100.874","0.001","90","","5718.4","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H68 B Co N11 -","- C65 H68 B Co N11 -","- C260 H272 B4 Co4 N44 -","4","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0597","0.044","","","0.0937","0.1002","","","","","","1.032","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113272","18.715","0.003","14.361","0.002","22.967","0.004","90","","95.175","0.003","90","","6147.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H78 B Co N8 O -","- C73 H78 B Co N8 O -","- C292 H312 B4 Co4 N32 O4 -","4","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0894","0.0532","","","0.107","0.1195","","","","","","1.034","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113273","13.2685","0.0013","17.283","0.0017","20.673","0.002","85.323","0.002","79.331","0.002","69.009","0.002","4349","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H113 B2 Co N8 O2.5 -","- C97 H98 B2 Co N8 O -","- C194 H196 B4 Co2 N16 O2 -","2","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0707","0.0498","","","0.1245","0.1329","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113274","20.741","0.002","20.118","0.002","19.862","0.002","90","","92.424","0.002","90","","8280.3","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H102 B2 Co N8 O -","- C98 H102 B2 Co N8 O -","- C392 H408 B8 Co4 N32 O4 -","4","1","","Xile Hu; Karsten Meyer","Terminal Cobalt(III) Imido Complexes Supported by Tris(Carbene) Ligands: Imido Insertion into the Cobalt-Carbene Bond","Journal of the American Chemical Society","2004","126","","16322","16323","10.1021/ja044271b","","","0.71073","MoKα","","0.0886","0.0529","","","0.1196","0.1352","","","","","","1.024","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113275","9.341","0.0009","12.89","0.0012","21.742","0.004","77.351","0.002","89.665","0.003","69.52","0.008","2385.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 N4 O6 S24 -","- C72 N6 O4 S24 -","- C72 N6 O4 S24 -","1","0.5","","Kent A. Nielsen; Won-Seob Cho; Jan O. Jeppesen; Vincent M. Lynch; Jan Becher; Jonathan L. Sessler","Tetra-TTF Calix[4]pyrrole: A Rationally Designed Receptor for Electron-Deficient Neutral Guests","Journal of the American Chemical Society","2004","126","","16296","16297","10.1021/ja044664a","","","0.7107","MoKα","","0.2378","0.1834","","","0.3356","0.3447","","","","","","3.275","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113276","12.4868","0.0002","19.4255","0.0003","21.1152","0.0004","111.221","0.001","103.788","0.001","92.493","0.001","4588.99","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H84 F8 N4 O4 S24 -","- C80 H84 F8 N4 O4 S24 -","- C160 H168 F16 N8 O8 S48 -","2","1","","Kent A. Nielsen; Won-Seob Cho; Jan O. Jeppesen; Vincent M. Lynch; Jan Becher; Jonathan L. Sessler","Tetra-TTF Calix[4]pyrrole: A Rationally Designed Receptor for Electron-Deficient Neutral Guests","Journal of the American Chemical Society","2004","126","","16296","16297","10.1021/ja044664a","","","0.71073","MoKα","","0.1488","0.0593","","","0.1127","0.1408","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113277","12.6227","0.0001","17.5519","0.0002","22.3645","0.0003","112.352","0.001","101.418","0.001","93.336","0.001","4442.97","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84 N4 O0.5 S24 -","- C72.5 H68 N4 O2 S24 -","- C145 H136 N8 O4 S48 -","2","1","","Kent A. Nielsen; Won-Seob Cho; Jan O. Jeppesen; Vincent M. Lynch; Jan Becher; Jonathan L. Sessler","Tetra-TTF Calix[4]pyrrole: A Rationally Designed Receptor for Electron-Deficient Neutral Guests","Journal of the American Chemical Society","2004","126","","16296","16297","10.1021/ja044664a","","","0.71073","MoKα","","0.1418","0.0693","","","0.1355","0.1447","","","","","","1.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113278","32.536","0.005","12.237","0.002","10.852","0.002","90","","98.77","0.02","90","","4270.1","1.3","150","","150","","","","","","","","","2","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","αlpha-Zn4Sb3","","","- Sb10 Zn13 -","- Sb10 Zn13 -","- Sb80 Zn104 -","8","","","Johanna Nylén; Magnus Andersson; Sven Lidin; Ulrich Häussermann","The Structure of α-Zn4Sb3: Ordering of the Phonon-Glass Thermoelectric Material β-Zn4Sb3","Journal of the American Chemical Society","2004","126","","16306","16307","10.1021/ja044980p","","","0.71069","MoKα","","0.0502","0.0443","","","0.0513","0.0515","","","","5.35","5.35","4.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113279","13.423","0.011","13.495","0.012","13.817","0.012","91.83","0.03","104.6","0.02","111.29","0.03","2235","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H30 Li3 N3 O6 -","- C16.75 H30 Li3 N3 O6 -","- C67 H120 Li12 N12 O24 -","4","2","","Anne J. McNeil; Gilman E. S. Toombes; Sol M. Gruner; Emil Lobkovsky; David B. Collum; Sithamalli V. Chandramouli; Benoit J. Vanasse; Timothy A. Ayers","Diastereoselective Alkylation of β-Amino Esters: Structural and Rate Studies Reveal Alkylations of Hexameric Lithium Enolates","Journal of the American Chemical Society","2004","126","","16559","16568","10.1021/ja045144i","","","0.71073","MoKα","","0.1275","0.0665","","","0.1502","0.1793","","","","","","0.949","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113280","13.1654","0.0002","14.8448","0.0002","16.6288","0.0003","70.9567","0.0006","69.617","0.0007","74.8414","0.0014","2839.31","0.08","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C91 H147 Cl9 N4 O10 P8 Pt4 -","- C91 H147 Cl9 N4 O10 P8 Pt4 -","- C91 H147 Cl9 N4 O10 P8 Pt4 -","1","0.5","","Ki-Whan Chi; Chris Addicott; Atta M. Arif; Peter J. Stang","Ambidentate Pyridyl-carboxylate Ligands in the Coordination-Driven Self-Assembly of 2D Pt Macrocycles: Self-Selection for a Single Isomer","Journal of the American Chemical Society","2004","126","","16569","16574","10.1021/ja045542l","","","0.71073","MoKα","","0.1137","0.0815","","","0.2272","0.2624","","","","","","1.03","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113281","9.659","0.003","18.2763","0.0014","19.802","0.003","90","","91.517","0.01","90","","3494.4","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetra-n-butylammonium 1,3-bis-(4-nitro-phenyl)-urea hydrogen-carbonate bi-hydrate","","","- C30 H51 N5 O10 -","- C30 H51 N5 O10 -","- C120 H204 N20 O40 -","4","1","","Massimo Boiocchi; Laura Del Boca; David Esteban Gómez; Luigi Fabbrizzi; Maurizio Licchelli; Enrico Monzani","Nature of Urea-Fluoride Interaction: Incipient and Definitive Proton Transfer","Journal of the American Chemical Society","2004","126","","16507","16514","10.1021/ja045936c","","","0.71073","MoKα","","0.1995","0.06","","","0.1102","0.1524","","","","","","0.946","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113282","10.0827","0.0017","20.434","0.002","17.282","0.005","90","","106.07","0.02","90","","3421.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetra-n-butylammonium 1,3-bis-(4-nitro-phenyl)-urea acetate","","","- C31 H49 N5 O7 -","- C31 H49 N5 O7 -","- C124 H196 N20 O28 -","4","1","","Massimo Boiocchi; Laura Del Boca; David Esteban Gómez; Luigi Fabbrizzi; Maurizio Licchelli; Enrico Monzani","Nature of Urea-Fluoride Interaction: Incipient and Definitive Proton Transfer","Journal of the American Chemical Society","2004","126","","16507","16514","10.1021/ja045936c","","","0.71073","MoKα","","0.2425","0.0757","","","0.1254","0.1794","","","","","","0.98","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113283","18.6339","0.0016","25.6027","0.0014","14.4414","0.0011","90","","99.762","0.01","90","","6789.9","0.9","200","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 Ba2 Cl2 Cu2 N8 O33 S4 -","- C52 H58 Ba2 Cl2 Cu2 N8 O33 S4 -","- C208 H232 Ba8 Cl8 Cu8 N32 O132 S16 -","4","1","","Jonathan R. Nitschke; David Schultz; Gérald Bernardinelli; David Gérard","Selection Rules for Helicate Ligand Component Self-Assembly: Steric, pH, Charge, and Solvent Effects","Journal of the American Chemical Society","2004","126","","16538","16543","10.1021/ja046001z","","","0.71073","MoKα","","","0.04","","","","0.038","","","","","","1.12","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113284","12.5079","0.0007","18.8569","0.0012","17.9012","0.0009","90","","92.2","0.006","90","","4219.1","0.4","200","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B2 Cu2 F8 N8 O8 -","- C36 H44 B2 Cu2 F8 N8 O8 -","- C144 H176 B8 Cu8 F32 N32 O32 -","4","1","","Jonathan R. Nitschke; David Schultz; Gérald Bernardinelli; David Gérard","Selection Rules for Helicate Ligand Component Self-Assembly: Steric, pH, Charge, and Solvent Effects","Journal of the American Chemical Society","2004","126","","16538","16543","10.1021/ja046001z","","","0.71073","MoKα","","","0.033","","","","0.032","","","","","","1.22","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113285","6.3352","0.0009","12.8689","0.0013","9.4987","0.0013","90","","106.283","0.011","90","","743.34","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr Cs2 H12 O14 S2 -","- Cr Cs2 H12 O14 S2 -","- Cr2 Cs4 H24 O28 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0316","0.0303","","","0.0734","0.0744","","","","","","1.182","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113286","6.3181","0.0011","12.8039","0.0015","9.493","0.0016","90","","106.135","0.014","90","","737.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr Cs2 H12 O14 S2 -","- Cr Cs2 H12 O14 S2 -","- Cr2 Cs4 H24 O28 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0397","0.0313","","","0.0634","0.0683","","","","","","1.243","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113287","6.2446","0.0009","12.4595","0.0015","9.327","0.0014","90","","105.269","0.012","90","","700.07","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H12 O14 Rb2 S2 -","- Cr H12 O14 Rb2 S2 -","- Cr2 H24 O28 Rb4 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0404","0.0354","","","0.0835","0.0873","","","","","","1.117","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113288","6.2163","0.0012","12.3824","0.0016","9.26","0.0015","90","","104.858","0.014","90","","688.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H12 O14 Rb2 S2 -","- Cr H12 O14 Rb2 S2 -","- Cr2 H24 O28 Rb4 S4 -","2","0.5","","Christopher Dobe; Christopher Noble; Graham Carver; Philip L. W. Tregenna-Piggott; Garry J. McIntyre; Anne-Laure Barra; Antonia Neels; Stefan Janssen; Fanni Juranyi","Electronic and Molecular Structure of High-Spin d4 Complexes: Experimental and Theoretical Study of the [Cr(D2O)6]2+ Cation in Tutton's Salts","Journal of the American Chemical Society","2004","126","","16639","16652","10.1021/ja046095c","","","0.71073","MoKα","","0.0365","0.0339","","","0.0824","0.0842","","","","","","1.088","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113289","7.0736","0.0012","11.0952","0.0017","16.481","0.002","100.924","0.007","52.792","0.01","100.947","0.005","1006.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(9-fluorenone oxime)0.46","","- C19.98 H12.12 N4.46 Ni O4.46 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1489","0.102","","0.3358","0.2954","","","","","1.076","1.076","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113290","7.2842","0.0008","11.1375","0.0017","16.5528","0.0013","101.459","0.007","51.297","0.005","100.017","0.006","1024.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(naphthalene)1/2","","- C19 H14 N4 Ni O4 S2 -","- C19 H14 N4 Ni O4 S2 -","- C38 H28 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0466","0.037","","0.1092","0.1037","","","","","1.117","1.117","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113291","7.163","0.002","11.161","0.003","16.542","0.004","100.841","0.011","51.733","0.016","101.075","0.013","1014.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(1,5-naphthalenediol)1/2","","- C19 H14 N4 Ni O5 S2 -","- C19 H14 N4 Ni O5 S2 -","- C38 H28 N8 Ni2 O10 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1531","0.0769","","0.2561","0.2142","","","","","1.001","1.001","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113292","7.2337","0.0007","11.0126","0.0013","16.7266","0.0016","104.59","0.003","54.736","0.005","97.602","0.008","1052.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II)- bis(/m-thiocyanato-N,N',S,S')(anthracene)1/2","","- C21 H15 N4 Ni O4 S2 -","- C21 H15 N4 Ni O4 S2 -","- C42 H30 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0571","0.0393","","","0.1151","0.1408","","","","","","1.156","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113293","9.6457","0.0004","10.9995","0.0004","18.0253","0.0008","116.502","0.002","55.617","0.002","131.927","0.001","1166.84","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(perylene)1/2","","- C24 H16 N4 Ni O4 S2 -","- C24 H16 N4 Ni O4 S2 -","- C48 H32 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1014","0.0569","","0.129","0.114","","","","","1.118","1.118","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113294","9.5502","0.0013","11.0709","0.0005","16.5435","0.0012","101.862","0.005","54.837","0.01","127.758","0.008","1100.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(anthraquinone)1/2","","- C21 H14 N4 Ni O5 S2 -","- C21 H14 N4 Ni O5 S2 -","- C42 H28 N8 Ni2 O10 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1139","0.063","","0.1485","0.131","","","","","1.146","1.146","","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113295","7.1699","0.0008","11.1246","0.0007","16.4395","0.001","101.177","0.004","52.427","0.003","100.679","0.006","1015.75","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(phenanthrene)0.33","","- C18.62 H13.3 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.164","0.1013","","0.3149","0.2748","","","","","1.121","1.121","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113296","14.5177","0.0012","11.1164","0.0008","17.036","0.0014","105.706","0.005","64.698","0.006","76.696","0.005","2195.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(azobenzene)1/2","","- C40 H30 N10 Ni2 O8 S4 -","- C40 H30 N10 Ni2 O8 S4 -","- C80 H60 N20 Ni4 O16 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.137","0.0739","","0.178","0.1524","","","","","1.101","1.101","","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113297","7.2428","0.0005","11.0733","0.0003","16.465","0.0005","100.343","0.003","50.698","0.003","100.469","0.002","1001.22","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(p-terphenyl)0.45","","- C22.1 H16.3 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1211","0.093","","0.3246","0.2955","","","","","1.092","1.092","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113298","10.0252","0.0018","11.0678","0.0009","17.9626","0.0018","114.955","0.007","50.81","0.015","131.827","0.013","1151.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(benz[a]anthracene)1/2","","- C23 H16 N4 Ni O4 S2 -","- C23 H16 N4 Ni O4 S2 -","- C46 H32 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1105","0.067","","0.1772","0.1553","","","","","1.096","1.096","","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113299","14.588","0.003","11.1003","0.0015","17.026","0.003","106.347","0.012","64.069","0.011","77.091","0.005","2179","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(benzoic acid pheny ester)1/2","","- C41 H30 N8 Ni2 O10 S4 -","- C41 H30 N8 Ni2 O10 S4 -","- C82 H60 N16 Ni4 O20 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1603","0.0878","","0.2647","0.2175","","","","","1.056","1.056","","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113300","7.1364","0.0005","11.1042","0.0012","16.4885","0.0012","100.589","0.004","51.94","0.003","100.65","0.003","1006.94","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(styrene)0.5","","- C18 H14 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1372","0.0846","","0.2815","0.2455","","","","","1.115","1.115","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113301","7.5146","0.0005","11.1072","0.001","16.5035","0.0012","102.267","0.004","52.054","0.003","96.638","0.004","1061.27","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II)- bis(μ-thiocyanato-N,N',S,S')(biphenyl)1/2","","- C20 H15 N4 Ni O4 S2 -","- C20 H15 N4 Ni O4 S2 -","- C40 H30 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0565","0.0387","","","0.101","0.1103","","","","","","1.111","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113302","14.4712","0.0002","11.0881","0.0004","16.6043","0.0007","103.158","0.003","65.352","0.002","75.672","0.002","2174.34","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(thianthrene)1/2","","- C40 H28 N8 Ni2 O8 S6 -","- C40 H28 N8 Ni2 O8 S6 -","- C80 H56 N16 Ni4 O16 S12 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1432","0.0731","","0.1621","0.1383","","","","","1.093","1.093","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113303","7.1429","0.0008","11.1149","0.0011","16.2907","0.0018","98.958","0.007","53.86","0.005","99.271","0.004","1027.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(1,4-diethynylbenzene)1/2","","- C19 H13 N4 Ni O4 S2 -","- C19 H13 N4 Ni O4 S2 -","- C38 H26 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1362","0.0721","","0.1894","0.1586","","","","","1.089","1.089","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113304","14.8275","0.0007","11.0772","0.0004","16.5228","0.001","101.697","0.004","64.114","0.005","74.884","0.003","2194.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(9,10-dihydroanthracene)1/2","","- C42 H32 N8 Ni2 O8 S4 -","- C42 H32 N8 Ni2 O8 S4 -","- C84 H64 N16 Ni4 O16 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1844","0.0902","","0.2045","0.164","","","","","1.096","1.096","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113305","17.874","0.0008","11.197","0.0005","16.9305","0.0007","103.836","0.003","78.041","0.004","86.77","0.002","3198.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(triphenylene)1/3","","- C60 H42 N12 Ni3 O12 S6 -","- C60 H42 N12 Ni3 O12 S6 -","- C120 H84 N24 Ni6 O24 S12 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.3059","0.1448","","0.3699","0.289","","","","","1.103","1.103","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113306","14.6748","0.0007","11.0746","0.0004","18.0503","0.0007","115.604","0.003","70.413","0.003","77.837","0.002","2263.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato,N,N',S,S')(diphenylbutadiyne)1/2","","- C44 H30 N8 Ni2 O8 S4 -","- C44 H30 N8 Ni2 O8 S4 -","- C88 H60 N16 Ni4 O16 S8 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.164","0.0742","","0.1703","0.136","","","","","1.034","1.034","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113307","7.5181","0.0007","11.0616","0.0008","16.8055","0.0013","104.147","0.003","51.741","0.003","98.91","0.006","1064.12","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(fluorene)0.45","","- C20 H14.5 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1653","0.1254","","0.4043","0.3691","","","","","1.582","1.582","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113308","7.1116","0.0009","11.1365","0.0014","16.594","0.002","101.335","0.004","52.758","0.005","101.198","0.008","1021","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(mesitylene)0.55","","- C18.95 H16.6 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.0903","0.0731","","0.2563","0.2367","","","","","1.109","1.109","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113309","7.1019","0.0011","11.068","0.002","16.4866","0.0019","100.256","0.008","51.497","0.008","100.532","0.004","993.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II) -bis(/m-thiocyanato-N,N',S,S')(naphthacene)0.45","","- C22.1 H15.4 N4 Ni O4 S2 -","- C14 H10 N4 Ni O4 S2 -","- C28 H20 N8 Ni2 O8 S4 -","2","1","","Ryo Sekiya; Shin-ichi Nishikiori; Katsuyuki Ogura","Crystalline Inclusion Compounds Constructed through Self-Assembly of Isonicotinic Acid and Thiocyanato Coordination Bridges","Journal of the American Chemical Society","2004","126","","16587","16600","10.1021/ja0463280","","","0.71069","MoKα","","0.1076","0.0753","","0.2834","0.2547","","","","","1.147","1.147","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113310","35.3779","0.0019","14.9202","0.0008","31.2333","0.0017","90","","103.534","0.001","90","","16028.5","1.5","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H72 I6 N12 Zn3 -","- C78 H72 I6 N12 Zn3 -","- C624 H576 I48 N96 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.1071","0.0532","","","0.1129","0.1446","","","","","","1.032","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113311","35.318","0.003","14.8209","0.0012","31.354","0.003","90","","102.884","0.001","90","","15999","2","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68.21 H63.9 I6 N12 Zn3 -","- C68.304 H63.97 I6 N12 Zn3 -","- C546.432 H511.76 I48 N96 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.1723","0.1098","","","0.299","0.3457","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113312","34.1126","0.0011","15.101","0.0005","30.2397","0.001","90","","101.117","0.001","90","","15285.2","0.9","78","2","78","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H36 I6 N13.5 O3 Zn3 -","- C71 H36 I6 N13.5 O3 Zn3 -","- C568 H288 I48 N108 O24 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.1613","0.1075","","","0.2964","0.3423","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113313","34.235","0.004","14.9104","0.0015","31.387","0.003","90","","101.929","0.002","90","","15676","3","80","2","80","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.99 H43.99 I6 N12 O1.33 P1.33 Zn3 -","- C59.958 H43.965 I6 N12 O1.331 P1.331 Zn3 -","- C479.664 H351.72 I48 N96 O10.648 P10.648 Zn24 -","8","1","","Osamu Ohmori; Masaki Kawano; Makoto Fujita","Crystal-to-Crystal Guest Exchange of Large Organic Molecules within a 3D Coordination Network","Journal of the American Chemical Society","2004","126","","16292","16293","10.1021/ja046478a","","","0.71073","MoKα","","0.2102","0.1284","","","0.3122","0.3689","","","","","","1.027","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113314","10.617","0.002","10.617","0.002","10.617","0.002","90","","90","","90","","1196.8","0.4","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Manganese prussian blue analogue","","","- C4 H10.16 Mn1.67 N4 O5.08 -","- C4.02 Mn1.67 N4.02 O5.06 -","- C16.08 Mn6.68 N16.08 O20.24 -","4","0.0208333","","Patrick Franz; Christina Ambrus; Andreas Hauser; Dmitry Chernyshov; Marc Hostettler; Jürg Hauser; Lukas Keller; Karl Krämer; Helen Stoeckli-Evans; Philip Pattison; Hans-Beat Bürgi; Silvio Decurtins","Crystalline, Mixed-Valence Manganese Analogue of Prussian Blue: Magnetic, Spectroscopic, X-ray and Neutron Diffraction Studies","Journal of the American Chemical Society","2004","126","","16472","16477","10.1021/ja0465451","","","0.71069","MoKα","","0.0247","0.0228","","","0.059","0.0615","","","","","","1.227","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113315","10.451","0.003","20.497","0.006","16.753","0.005","90","0.0011","90.3493","0.0011","90","0.0011","3588.7","1.8","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-aquo-5-carbasilatrane","","","- C38 H55 O5 Si -","- C38 H55 O5 Si -","- C152 H220 O20 Si4 -","4","1","","Junji Kobayashi; Keiko Kawaguchi; Takayuki Kawashima","Water-Coordinated Neutral Silane Complex: A Frozen Intermediate of Hydrolysis of Alkoxysilanes","Journal of the American Chemical Society","2004","126","","16318","16319","10.1021/ja047249r","","","0.7107","MoKα","","0.0665","0.056","","","0.1194","0.1278","","","","","","1.126","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113316","13.158","0.001","13.577","0.001","16.16","0.002","90","","88.936","0.006","90","","2886.4","0.5","223.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 F6 Ir N2 P -","- C28 H28 F6 Ir N2 P -","- C112 H112 F24 Ir4 N8 P4 -","4","1","","Seiji Ogo; Keiji Uehara; Tsutomu Abura; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Selective Synthesis and Structures of Alkynyl, Acyl, and Ketonyl Intermediates in Anti-Markovnikov and Markovnikov Hydrations of a Terminal Alkyne with a Water-Soluble Iridium Aqua Complex in Water","Journal of the American Chemical Society","2004","126","","16520","16527","10.1021/ja0473541","","","0.7107","MoKα","","","0.0556","","","","0.1551","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113317","14.873","0.005","12.882","0.004","29.567","0.01","90","","95.768","0.004","90","","5636","3","173.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F6 Ir N2 O P -","- C28 H30 F6 Ir N2 O P -","- C224 H240 F48 Ir8 N16 O8 P8 -","8","2","","Seiji Ogo; Keiji Uehara; Tsutomu Abura; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Selective Synthesis and Structures of Alkynyl, Acyl, and Ketonyl Intermediates in Anti-Markovnikov and Markovnikov Hydrations of a Terminal Alkyne with a Water-Soluble Iridium Aqua Complex in Water","Journal of the American Chemical Society","2004","126","","16520","16527","10.1021/ja0473541","","","0.7107","MoKα","","","0.0449","","","","0.0982","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113318","9.2545","0.0007","18.09","0.002","23.917","0.002","90","","90","","90","","4004","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C176 H112 N16 S32 -","16","2","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.1026","0.056","","","0.1262","0.1531","","","","","","1.014","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113319","18.606","0.003","12.069","0.0018","5.5511","0.0008","90","","90","","90","","1246.5","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","EDOT-CNV-Th","","","- C13 H9 N O2 S2 -","- C13 H9 N O2 S2 -","- C52 H36 N4 O8 S8 -","4","1","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.0417","0.0314","","","0.0692","0.0731","","","","","","1.057","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113320","4.942","0.001","10.082","0.002","23.879","0.003","90","","90.43","0.01","90","","1189.7","0.4","148","2","148","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Th-CNV-EDOT","","","- C13 H9 N O2 S2 -","- C13 H9 N O2 S2 -","- C52 H36 N4 O8 S8 -","4","1","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.0829","0.0394","","","0.0682","0.0738","","","","0.98","0.98","0.757","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113321","8.0521","0.0004","9.5708","0.0005","10.3402","0.0005","107.617","0.001","94.428","0.001","113.677","0.001","677.29","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N2 O4 S -","- C15 H12 N2 O4 S -","- C30 H24 N4 O8 S2 -","2","1","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.0386","0.0352","","","0.0949","0.0979","","","","","","1.032","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113322","7.431","0.003","17.951","0.007","11.478","0.004","90","","95.736","0.005","90","","1523.4","1","193.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 F3 N O3 S Te -","- C11 H14 F3 N O3 S Te -","- C44 H56 F12 N4 O12 S4 Te4 -","4","1","","Yuichiro Mutoh; Toshiaki Murai; Shigeru Yamago","Acyclic Telluroiminium Salts: Isolation and Characterization","Journal of the American Chemical Society","2004","126","","16696","16697","10.1021/ja044022n","","","0.7107","MoKα","","","0.0376","","","","0.1072","","","","","","1.311","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113323","22.4832","0.0006","25.2863","0.0007","31.2864","0.0008","81.514","0.002","80.2321","0.0014","78.3354","0.0009","17048.4","0.8","120","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C281 H345 Br4 Cl15 O59 -","- C266 H310 Br4 Cl15 O59 -","- C532 H620 Br8 Cl30 O118 -","2","1","","Elizabeth S. Barrett; Jacob L. Irwin; Alison J. Edwards; Michael S. Sherburn","Superbowl Container Molecules","Journal of the American Chemical Society","2004","126","","16747","16749","10.1021/ja044405l","","","0.71073","MoKα","","0.1062","0.1062","","0.0764","0.0764","0.0764","","","","","","1.0264","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113324","29.162","0.003","29.162","0.003","30.451","0.006","90","","90","","90","","25896","6","80","2","80","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C149 H96 N48 O76 Pd6 -","- C149 H115 N48 O76 Pd6 -","- C596 H460 N192 O304 Pd24 -","4","0.5","","Koji Nakabayashi; Masaki Kawano; Michito Yoshizawa; Shin-ichi Ohkoshi; Makoto Fujita","Cavity-Induced Spin-Spin Interaction between Organic Radicals within a Self-Assembled Coordination Cage","Journal of the American Chemical Society","2004","126","","16694","16695","10.1021/ja044445p","","","0.71073","MoKα","","0.2924","0.1504","","","0.3338","0.4164","","","","","","1.045","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113325","11.244","0.003","13.777","0.003","15.447","0.003","69.953","0.003","89.78","0.004","79.225","0.004","2203.5","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H50 F4 Fe O12 -","- C46 H50 F4 Fe O12 -","- C92 H100 F8 Fe2 O24 -","2","1","","Sungho Yoon; Stephen J. Lippard","Water-Dependent Reactions of Diiron(II) Carboxylate Complexes","Journal of the American Chemical Society","2004","126","","16692","16693","10.1021/ja044489y","","","0.71073","MoKα","","0.0561","0.0501","","","0.1278","0.1333","","","","","","1.065","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113326","14.537","0.003","15.812","0.003","20.001","0.004","92.153","0.003","109.997","0.003","98.874","0.003","4248.3","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H82 F8 Fe2 O15 -","- C92 H82 F8 Fe2 O15 -","- C184 H164 F16 Fe4 O30 -","2","1","","Sungho Yoon; Stephen J. Lippard","Water-Dependent Reactions of Diiron(II) Carboxylate Complexes","Journal of the American Chemical Society","2004","126","","16692","16693","10.1021/ja044489y","","","0.71073","MoKα","","0.0709","0.0523","","","0.1452","0.1606","","","","","","0.94","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113327","13.645","0.002","16.523","0.003","16.777","0.003","93.187","0.003","107.174","0.003","95.246","0.003","3585.1","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C173 H136 F16 Fe4 O22 -","- C173 H124 F16 Fe4 O22 -","- C173 H124 F16 Fe4 O22 -","1","0.5","","Sungho Yoon; Stephen J. Lippard","Water-Dependent Reactions of Diiron(II) Carboxylate Complexes","Journal of the American Chemical Society","2004","126","","16692","16693","10.1021/ja044489y","","","0.71073","MoKα","","0.0651","0.0483","","","0.1136","0.1251","","","","","","0.921","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113328","5.7601","0.0015","16.182","0.004","24.356","0.006","90","","92.95","0.004","90","","2267.2","1","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 -","- C29 H38 -","- C116 H152 -","4","1","","Levi J. Irwin; Joseph H. Reibenspies; Stephen A. Miller","A Sterically Expanded ""Constrained Geometry Catalyst"" for Highly Active Olefin Polymerization and Copolymerization: An Unyielding Comonomer Effect","Journal of the American Chemical Society","2004","126","","16716","16717","10.1021/ja044678g","","","0.71073","MoKα","","0.0898","0.0654","","","0.1479","0.1588","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113329","24.079","0.006","11.723","0.003","14.917","0.003","90","","109.199","0.005","90","","3976.6","1.6","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H61 Cl2 N O Si Zr -","- C39 H61 Cl2 N O Si Zr -","- C156 H244 Cl8 N4 O4 Si4 Zr4 -","4","1","","Levi J. Irwin; Joseph H. Reibenspies; Stephen A. Miller","A Sterically Expanded ""Constrained Geometry Catalyst"" for Highly Active Olefin Polymerization and Copolymerization: An Unyielding Comonomer Effect","Journal of the American Chemical Society","2004","126","","16716","16717","10.1021/ja044678g","","","0.71073","MoKα","","0.0928","0.0618","","","0.0907","0.0985","","","","","","1.046","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113330","8.7505","0.0008","21.6323","0.0015","13.6254","0.0008","90","","95.697","0.006","90","","2566.5","0.3","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H35 Cl3 N2 O2 Ru -","- C23.5 H35 Cl3 N2 O2 Ru -","- C94 H140 Cl12 N8 O8 Ru4 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.0536","0.0422","","","0.1157","0.1223","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113331","9.3253","0.0006","16.161","0.005","17.709","0.006","90","","94.734","0.014","90","","2659.8","1.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H32.5 Cl3.5 N2 O3 Ru -","- C22.5 H32.5 Cl3.5 N2 O3 Ru -","- C90 H130 Cl14 N8 O12 Ru4 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0679","0.0527","","","0.1481","0.1659","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113332","8.864","0.001","18.626","0.006","14.885","0.005","90","","100.814","0.019","90","","2413.9","1.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H30.5 Cl3.5 N2 O2 Ru -","- C20.5 H30.5 Cl3.5 N2 O2 Ru -","- C82 H122 Cl14 N8 O8 Ru4 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0625","0.0451","","","0.1221","0.1339","","","","","","1.213","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113333","13.0075","0.0009","24.6431","0.0014","18.6453","0.0009","90","","90.045","0.005","90","","5976.7","0.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 N6 O12 Ru3 -","- C60 H78 N6 O12 Ru3 -","- C240 H312 N24 O48 Ru12 -","4","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.0659","0.0479","","","0.118","0.1276","","","","","","1.071","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113334","15.289","0.003","15.347","0.003","16.3869","0.0011","103.747","0.011","97.591","0.011","95.256","0.016","3671.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H101 N9 O7 Ru3 -","- C75 H99 N9 O7 Ru3 -","- C150 H198 N18 O14 Ru6 -","2","1","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0825","0.0655","","","0.1783","0.2039","","","","","","1.104","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113335","26.0844","0.0007","26.0844","0.0007","26.0844","0.0007","90","","90","","90","","17747.7","0.8","140","2","140","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C90 H117 N9 O6 Rh3 -","- C90 H117 N9 O6 Rh3 -","- C720 H936 N72 O48 Rh24 -","8","0.333333","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.71073","MoKα","","0.029","0.0265","","","0.0648","0.0656","","","","","","1.11","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113336","18.832","0.004","18.832","0.004","13.812","0.005","90","","90","","120","","4242","2","140","2","140","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C60 H81 Ir3 N6 O9 -","- C60 H81 Ir3 N6 O9 -","- C180 H243 Ir9 N18 O27 -","3","0.333333","","Zacharias Grote; Rosario Scopelliti; Kay Severin","pH-Triggered Assembly of Organometallic Receptors for Lithium Ions","Journal of the American Chemical Society","2004","126","","16959","16972","10.1021/ja044874n","","","0.7107","MoKα","","0.0388","0.0314","","","0.0537","0.0566","","","","","","1.013","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113337","8.6222","0.0003","14.5198","0.0005","18.6551","0.0006","90","","99.896","0.001","90","","2300.73","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H52 N2 O4 P2 Pd -","- C56 H52 N2 O4 P2 Pd -","- C112 H104 N4 O8 P4 Pd2 -","2","1","","Brenda J. Burke; Larry E. Overman","Enantioselective Synthesis of Six-Membered Palladacycles Having Metal-Bound Stereogenic Carbons: Isolation and Reactivity of Palladacycles Containing Readily Accessible β-Hydrogens","Journal of the American Chemical Society","2004","126","","16820","16833","10.1021/ja045047p","","","0.71073","MoKα","","0.0347","0.028","","","0.0549","0.0578","","","","","","1.043","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113338","11.6198","0.0004","32.9442","0.0012","15.9498","0.0006","90","","90.559","0.001","90","","6105.4","0.4","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73.5 H64 N2 O6.5 P2 Pd -","- C73.5 H64 N2 O6.5 P2 Pd -","- C294 H256 N8 O26 P8 Pd4 -","4","2","","Brenda J. Burke; Larry E. Overman","Enantioselective Synthesis of Six-Membered Palladacycles Having Metal-Bound Stereogenic Carbons: Isolation and Reactivity of Palladacycles Containing Readily Accessible β-Hydrogens","Journal of the American Chemical Society","2004","126","","16820","16833","10.1021/ja045047p","","","0.71073","MoKα","","0.0633","0.0472","","","0.1163","0.1256","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113339","10.9672","0.0007","14.5309","0.0011","18.2316","0.0016","90","","103.747","0.003","90","","2822.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Zr -","- C34 H46 Zr -","- C136 H184 Zr4 -","4","1","","Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik","Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions","Journal of the American Chemical Society","2004","126","","16937","16950","10.1021/ja045072v","","","0.71073","MoKα","","0.1123","0.0498","","","0.0774","0.0919","","","","","","0.963","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113340","10.8131","0.0006","13.2683","0.0007","17.2953","0.0009","90","","94.115","0.001","90","","2475","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Zr -","- C30 H38 Zr -","- C120 H152 Zr4 -","4","1","","Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik","Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions","Journal of the American Chemical Society","2004","126","","16937","16950","10.1021/ja045072v","","","0.71073","MoKα","","0.082","0.0423","","","0.0754","0.086","","","","","","0.988","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113341","15.7325","0.0013","17.0445","0.0015","17.9558","0.0015","73.1","0.002","76.224","0.002","80.831","0.002","4453.3","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H132 Si8 Zr2 -","- C84 H134 Si8 Zr2 -","- C168 H268 Si16 Zr4 -","2","1","","Christopher A. Bradley; Ivan Keresztes; Emil Lobkovsky; Victor G. Young; Paul J. Chirik","Zirconium Sandwich Complexes with η9 Indenyl Ligands: Well-Defined Precursors for Zirconocene-Mediated Coupling Reactions","Journal of the American Chemical Society","2004","126","","16937","16950","10.1021/ja045072v","","","0.71073","MoKα","","0.1111","0.0632","","","0.1229","0.1379","","","","","","1.084","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113342","13.3944","0.0015","15.5061","0.0017","15.1833","0.0017","90","","114.473","0.002","90","","2870.2","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 F3 O3 P3 S -","- C28 H28 F3 O3 P3 S -","- C112 H112 F12 O12 P12 S4 -","4","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","x-ray","0.71073","MoKα","","0.1067","0.0654","","","0.1577","0.18","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113343","10.8925","0.0004","11.9222","0.0004","12.5883","0.0004","80.674","0.001","78.371","0.001","70.066","0.001","1497.51","0.09","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl4 Ga P3 -","- C27 H28 Cl4 Ga P3 -","- C54 H56 Cl8 Ga2 P6 -","2","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","x-ray","0.71073","MoKα","","0.0467","0.0397","","","0.0991","0.104","","","","","","1.036","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113344","8.2272","0.0003","21.9817","0.0008","10.2503","0.0004","90","","110.83","0.001","90","","1732.58","0.11","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 F3 O3 P3 S -","- C38 H32 F3 O3 P3 S -","- C76 H64 F6 O6 P6 S2 -","2","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0365","0.0322","","","0.0738","0.0757","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113345","23.017","0.006","9.523","0.003","18.06","0.005","90","","94.016","0.005","90","","3949","2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 Cl8 Ga2 P4 -","- C29 H34 Cl8 Ga2 P4 -","- C116 H136 Cl32 Ga8 P16 -","4","0.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0893","0.0649","","","0.1626","0.1806","","","","","","1.038","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113346","11.9005","0.0007","19.0058","0.0011","12.6136","0.0008","90","","109.699","0.001","90","","2686","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Cl8 Ga2 P4 -","- C50 H44 Cl8 Ga2 P4 -","- C100 H88 Cl16 Ga4 P8 -","2","0.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","x-ray","0.71073","MoKα","","0.0376","0.0305","","","0.0753","0.079","","","","","","1.045","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113347","9.542","0.0007","9.8206","0.0007","11.7943","0.0008","73.331","0.001","88.757","0.001","73.198","0.001","1011.32","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cl8 Ga2 P4 -","- C30 H36 Cl8 Ga2 P4 -","- C30 H36 Cl8 Ga2 P4 -","1","0.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0364","0.0323","","","0.0855","0.0884","","","","","","1.048","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113348","27.485","0.002","10.863","0.0008","26.3827","0.0019","90","","112.326","0.001","90","","7286.6","0.9","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 F6 O6 P4 S2 -","- C31 H34 F6 O6 P4 S2 -","- C248 H272 F48 O48 P32 S16 -","8","1","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.0743","0.0462","","","0.1045","0.1171","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113349","23.0184","0.0012","17.8172","0.0009","16.7989","0.0009","90","","106.903","0.001","90","","6592","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cl8 Ga2 P4 -","- C34 H36 Cl8 Ga2 P4 -","- C204 H216 Cl48 Ga12 P24 -","6","1.5","","Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications","Journal of the American Chemical Society","2004","126","","17067","17073","10.1021/ja0452121","","","0.71073","MoKα","","0.127","0.0811","","","0.2193","0.2518","","","","","","1.033","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113350","16.6331","0.0008","16.6331","0.0008","23.423","0.002","90","","90","","90","","6480.2","0.7","173","2","173","2","","","","","","","Nermeen W. Aboelella","4","P -4 21 c","P -4 2n","114","04027","","","- C66 H86 Cu2 N6 -","- C66 H86 Cu2 N6 -","- C264 H344 Cu8 N24 -","4","0.5","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.71073","MoKα","","0.0505","0.0387","","","0.0886","0.0935","","","","","","1.059","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113351","8.8419","0.0008","20.167","0.0018","20.2321","0.0018","102.313","0.002","96.573","0.002","97.252","0.002","3459.1","0.5","173","2","173","2","","","","","","","Nermeen W. Aboelella","5","P -1","-P 1","2","04049m","","","- C37 H48 Cu N3 O -","- C37 H48 Cu N3 O -","- C148 H192 Cu4 N12 O4 -","4","2","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.71073","MoKα","","0.0533","0.0382","","","0.0975","0.1072","","","","","","1.036","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113352","15.464","0.004","17.324","0.004","8.763","0.002","90","","90","","90","","2347.6","1","100","2","100","2","","","","","","","Nermeen W. Aboelella","5","I m m 2","I 2 -2","44","CMC080F","","","- C35 H53 Cu N2 O2 -","- C35 H53 Cu N2 O2 -","- C70 H106 Cu2 N4 O4 -","2","0.25","","Nermeen W. Aboelella; Sergey V. Kryatov; Benjamin F. Gherman; William W. Brennessel; Victor G. Young; Ritimukta Sarangi; Elena V. Rybak-Akimova; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Christopher J. Cramer; William B. Tolman","Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu-O2 Adducts","Journal of the American Chemical Society","2004","126","","16896","16911","10.1021/ja045678j","","","0.55936","APSsynchrotron","","0.1022","0.0936","","","0.2338","0.243","","","","","","1.291","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4113353","14.739","0.003","10.7869","0.0019","15.771","0.003","90","","90","","90","","2507.4","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Cr(Cp*)2][MTCE]","","","- C27 H33 Cr N3 O2 -","- C27 H33 Cr N3 O2 -","- C108 H132 Cr4 N12 O8 -","4","0.5","","Guangbin Wang; Carla Slebodnick; Ray J. Butcher; Mary C. Tam; T. Daniel Crawford; Gordon T. Yee","A Family of Decamethylmetallocene Charge-Transfer Salt Magnets Using Methyl Tricyanoethylenecarboxylate (MTCE) as the Electron Acceptor","Journal of the American Chemical Society","2004","126","","16890","16895","10.1021/ja0457213","","x-ray","1.54178","CuKα","","0.0744","0.0671","","","0.1654","0.1697","","","","","","1.171","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113354","12.5559","0.0007","14.3901","0.0009","15.6599","0.0009","104.293","0.001","96.235","0.001","102.114","0.001","2642.1","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H64 Cl N3 O12 Pd -","- C56 H64 Cl N3 O12 Pd -","- C112 H128 Cl2 N6 O24 Pd2 -","2","1","","Il Yoon; Mamiko Narita; Toshimi Shimizu; Masumi Asakawa","Threading-Followed-by-Shrinking Protocol for the Synthesis of a [2]Rotaxane Incorporating a Pd(II)-Salophen Moiety","Journal of the American Chemical Society","2004","126","","16740","16741","10.1021/ja0464490","","","0.71073","MoKα","","0.0405","0.0357","","","0.0958","0.0993","","","","","","1.029","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113355","12.574","0.003","19.237","0.004","12.93","0.003","90","","92.821","0.004","90","","3123.8","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","01160","","","- C27 H24 F6 Fe N6 O6 S2 -","- C27 H24 F6 Fe N6 O6 S2 -","- C108 H96 F24 Fe4 N24 O24 S8 -","4","1","","Jan-Uwe Rohde; Stéphane Torelli; Xiaopeng Shan; Mi Hee Lim; Eric J. Klinker; József Kaizer; Kui Chen; Wonwoo Nam; Lawrence Que","Structural Insights into Nonheme Alkylperoxoiron(III) and Oxoiron(IV) Intermediates by X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2004","126","","16750","16761","10.1021/ja047667w","","","0.71073","MoKα","","0.1069","0.0678","","","0.146","0.1619","","","","","","1.055","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113356","9.209","0.006","13.755","0.01","15.137","0.011","96.651","0.012","100.815","0.013","109.097","0.012","1747","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Benzyl Trispic Iron (II)","","","- C31 H34 F6 Fe N5 O6.5 S2 -","- C29 H29 F6 Fe N5 O6 S2 -","- C58 H58 F12 Fe2 N10 O12 S4 -","2","1","","Jan-Uwe Rohde; Stéphane Torelli; Xiaopeng Shan; Mi Hee Lim; Eric J. Klinker; József Kaizer; Kui Chen; Wonwoo Nam; Lawrence Que","Structural Insights into Nonheme Alkylperoxoiron(III) and Oxoiron(IV) Intermediates by X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2004","126","","16750","16761","10.1021/ja047667w","","","0.71073","MoKα","","0.0599","0.0513","","","0.1409","0.1479","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113357","6.6479","0.0013","13.622","0.003","18.25","0.004","92.781","0.003","92.28","0.003","97.751","0.003","1633.9","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","EISTH14","4'-(p-nicotinamide-N-methylphenyl)-2,2':6',2''-terpyridine bis-hexafluoraphospate platinum (II) chloride (Red Form - Neat)","","- C28 H22 Cl F12 N5 O P2 Pt -","- C28 H22 Cl F12 N5 O P2 Pt -","- C56 H44 Cl2 F24 N10 O2 P4 Pt2 -","2","1","","Thaddeus J. Wadas; Quan-Ming Wang; Yong-joo Kim; Christine Flaschenreim; Thomas N. Blanton; Richard Eisenberg","Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine-Nicotinamide Complex","Journal of the American Chemical Society","2004","126","","16841","16849","10.1021/ja047955s","","","0.71073","MoKα","","0.0619","0.0472","","","0.0914","0.0949","","","","","","1.105","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113358","6.7965","0.0007","13.8266","0.0014","18.1411","0.0018","94.816","0.002","94.531","0.002","96.362","0.002","1681.6","0.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","EISTH15","4'-(p-nicotinamide-N-methylphenyl)-2,2':6',2''-terpyridine bis-hexafluoraphospate platinum (II) chloride (Orange Form - Methanol In Lattice)","","- C29 H22 Cl F12 N5 O2 P2 Pt -","- C29 H22 Cl F12 N5 O2 P2 Pt -","- C58 H44 Cl2 F24 N10 O4 P4 Pt2 -","2","1","","Thaddeus J. Wadas; Quan-Ming Wang; Yong-joo Kim; Christine Flaschenreim; Thomas N. Blanton; Richard Eisenberg","Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine-Nicotinamide Complex","Journal of the American Chemical Society","2004","126","","16841","16849","10.1021/ja047955s","","","0.71073","MoKα","","0.0862","0.0601","","","0.1231","0.1313","","","","","","1.051","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113359","6.6965","0.0012","13.718","0.002","18.274","0.003","92.771","0.003","92.453","0.003","97.378","0.003","1660.8","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","EISTH17","4'-(p-nicotinamide-N-methylphenyl)-2,2':6',2''-terpyridine bis-hexafluoraphospate platinum (II) chloride (Red Form - Neat - Room Temperature)","","- C28 H22 Cl F12 N5 O P2 Pt -","- C28 H22 Cl F12 N5 O P2 Pt -","- C56 H44 Cl2 F24 N10 O2 P4 Pt2 -","2","1","","Thaddeus J. Wadas; Quan-Ming Wang; Yong-joo Kim; Christine Flaschenreim; Thomas N. Blanton; Richard Eisenberg","Vapochromism and Its Structural Basis in a Luminescent Pt(II) Terpyridine-Nicotinamide Complex","Journal of the American Chemical Society","2004","126","","16841","16849","10.1021/ja047955s","","","0.71073","MoKα","","0.107","0.0664","","","0.1459","0.1637","","","","","","1.045","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113360","6.9285","0.0014","19.129","0.004","11.109","0.002","90","","99.456","0.004","90","","1452.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.1658","0.0528","","","0.0964","0.1181","","","","","","0.839","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113361","3.8634","0.0003","14.7292","0.001","22.3403","0.0015","90","","90","","90","","1271.27","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.0439","0.035","","","0.0831","0.089","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113362","13.165","0.0014","3.9036","0.0004","15.4205","0.0016","90","","104.044","0.002","90","","768.79","0.14","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H14 N2 -","- C23 H14 N2 -","- C46 H28 N4 -","2","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.0495","0.0364","","","0.085","0.0929","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4122228","16.5583","0.0009","16.5583","0.0009","18.7408","0.0015","90","","90","","90","","5138.3","0.6","203.15","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(3,5-Cl2-sae)4(MeOH)4]","","- C40 H44 Cl8 Fe4 N4 O12 -","- C40 H44 Cl8 Fe4 N4 O12 -","- C160 H176 Cl32 Fe16 N16 O48 -","4","0.25","","Oshio, Hiroki; Hoshino, Norihisa; Ito, Tasuku; Nakano, Motohiro","Single-molecule magnets of ferrous cubes: structurally controlled magnetic anisotropy.","Journal of the American Chemical Society","2004","126","28","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0533","0.0296","","","0.0591","0.0626","","","","","","0.845","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122229","14.8579","0.0018","15.053","0.002","16.847","0.002","68.683","0.003","71.203","0.003","69.484","0.004","3204.5","0.7","203.15","","203.15","","","","","","","","","5","P -1","-P 1","2","","[Fe4(3-MeO-sap)4(MeOH)4]2MeOH","","- C50 H76 Fe4 N4 O18 -","- C50 H75 Fe4 N4 O18 -","- C100 H150 Fe8 N8 O36 -","2","1","","Oshio, Hiroki; Hoshino, Norihisa; Ito, Tasuku; Nakano, Motohiro","Single-molecule magnets of ferrous cubes: structurally controlled magnetic anisotropy.","Journal of the American Chemical Society","2004","126","28","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.1239","0.0812","","","0.253","0.2797","","","","","","0.933","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122230","17.0854","0.0018","17.0854","0.0018","18.391","0.002","90","","90","","90","","5368.5","1","203.15","","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Fe4(5-Br-sap)4(MeOH)4]","","- C44 H56 Br4 Fe4 N4 O12 -","- C44 H52 Br4 Fe4 N4 O12 -","- C176 H208 Br16 Fe16 N16 O48 -","4","0.25","","Oshio, Hiroki; Hoshino, Norihisa; Ito, Tasuku; Nakano, Motohiro","Single-molecule magnets of ferrous cubes: structurally controlled magnetic anisotropy.","Journal of the American Chemical Society","2004","126","28","8805","8812","10.1021/ja0487933","","","0.71073","MoKα","","0.0754","0.0612","","","0.1671","0.1763","","","","","","0.905","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122232","9.927","0.002","10.958","0.002","20.985","0.004","83.32","0.03","89.55","0.03","66.18","0.03","2072.2","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 N4 O4 Zn -","- C52 H46 N4 O4 Zn -","- C104 H92 N8 O8 Zn2 -","2","1","","Takacs, James M.; Reddy, D. Sahadeva; Moteki, Shin A.; Wu, Di; Palencia, Hector","Asymmetric catalysis using self-assembled chiral bidentate P,P-ligands.","Journal of the American Chemical Society","2004","126","14","4494","4495","10.1021/ja049873+","","","0.71073","MoKα","","0.0332","0.0309","","","0.0862","0.0877","","","","","","1.074","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122234","8.8228","0.0007","12.0316","0.0012","18.1669","0.0016","90","","90","","90","","1928.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H8 Cl2 N6 O4 -","- C18 H8 Cl2 N6 O4 -","- C72 H32 Cl8 N24 O16 -","4","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0703","0.0288","","","0.0228","0.0256","","","","","","0.554","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122235","12.508","0.003","24.589","0.005","13.77","0.003","90","","99.06","0.03","90","","4182.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 Cl2 N7 O3.5 -","- C18 H9 Cl2 N7 O3.5 -","- C144 H72 Cl16 N56 O28 -","8","2","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.348","0.113","","","0.2518","0.3458","","","","","","0.818","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122236","21.2008","0.0009","8.2713","0.0003","21.3391","0.001","90","","95.009","0.002","90","","3727.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Cl2 N8 O2 -","- C18 H10 Cl2 N8 O2 -","- C144 H80 Cl16 N64 O16 -","8","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.074","0.0465","","","0.1173","0.1313","","","","","","1.016","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122237","8.8051","0.0001","11.2289","0.0005","11.8862","0.0006","87.871","0.006","72.449","0.003","78.862","0.004","1099.12","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H21 Cl3 N8 O2 -","- C20.5 H20 Cl3 N8 O2 -","- C41 H40 Cl6 N16 O4 -","2","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.1384","0.0554","","","0.135","0.1564","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122238","10.127","0.002","12.04","0.002","15.569","0.003","90","","90","","90","","1898.3","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H12 Cl2 N10 -","- C18 H12 Cl2 N10 -","- C72 H48 Cl8 N40 -","4","0.5","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0532","0.0429","","","0.1185","0.1226","","","","","","1.003","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122239","15.95","0.02","9.169","0.013","20.89","0.03","90","","90","","90","","3055","7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Cl2 N10 O0.25 -","- C21 H18 Cl2 N10 O0.25 -","- C84 H72 Cl8 N40 O -","4","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.1104","0.083","","","0.2269","0.2588","","","","","","1.205","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122240","18.444","0.001","18.7666","0.0014","13.6773","0.0016","90","","104.276","0.004","90","","4587.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N9 O2.5 -","- C20 H15 Cl2 N9 O2.5 -","- C160 H120 Cl16 N72 O20 -","8","2","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.2293","0.0543","","","0.0676","0.0868","","","","","","0.601","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122241","20.305","0.007","9.995","0.004","12.001","0.004","90","","107.289","0.005","90","","2325.5","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cl2 N10 -","- C22 H20 Cl2 N10 -","- C88 H80 Cl8 N40 -","4","0.5","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0615","0.0412","","","0.1053","0.1159","","","","","","1.033","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4124116","10.44783","","14.9854","","8.83659","","90","","105.935","","90","","1330.33","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","C11.5 N4 H22 F2 (Si24 O48)","","- C10 F2 N4 O48 Si24 -","- C11 F2 N4 O48 Si24 -","- C11 F2 N4 O48 Si24 -","1","0.25","","Yang, X.; Camblor, M.A.; Olson, D.H.; Liu, H.; Lee, Y.","Synthesis and crystal structure of as-synthesized and calcined silica zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","","","","","","","","","","","","","","","","","","","","","","has coordinates","151946","2020-10-21","18:00:00",""
"4124531","13.533","","17.925","","17.651","","90","","90","","90","","4281.76","","","","","","","","","","","","","2","F m m m","-F 2 2","69","","Si72 O144","","- O144 Si72 -","- O144 Si72 -","- O144 Si72 -","1","0.03125","","Hong Suk Bong; Wright, P.A.; Lear, E.G.; Zhou Wuzong; Nam In-Sik; Cox, P.A.; Park Joo-Hyoung; Shin Chaeho","Synthesis, structure solution, characterization and catalytic properties of TNU-10: a high-silica zeolite with the STI topology","Journal of the American Chemical Society","2004","126","","5817","5826","","","","","","","","","","","","","","","","","","","","","","has coordinates","158450","2020-10-21","18:00:00",""
"4124532","3.80002","","3.80002","","22.6396","","90","","90","","90","","326.919","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.3 Y2 Ti2 O5 S2","","- Li0.3 O5 S2 Ti2 Y2 -","- Li0.3 O5 S2 Ti2 Y2 -","- Li0.6 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Hayward, M.A.; Gal, Z.A.; Denis, S.G.; Rutt, O.J.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0< x<2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158498","2020-10-21","18:00:00",""
"4124533","3.83189","","3.91881","","22.3007","","90","","90","","90","","334.877","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Li1.00 Y2 Ti2 O5 S2","","- Li O5 S2 Ti2 Y2 -","- Li1.002 O5 S2 Ti2 Y2 -","- Li2.004 O10 S4 Ti4 Y4 -","2","0.125","","Hyett, G.; Clarke, S.J.; Rutt, O.J.; Gal, Z.A.; Denis, S.G.; Hayward, M.A.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124534","3.91831","","3.91831","","22.0652","","90","","90","","90","","338.77","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li1.56 Y2 Ti2 O5 S2","","- Li1.56 O5 S2 Ti2 Y2 -","- Li1.56 O5 S2 Ti2 Y2 -","- Li3.12 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Denis, S.G.; Gal, Z.A.; Rutt, O.J.; Hayward, M.A.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158501","2020-10-21","18:00:00",""
"4124535","3.9426","","3.9426","","21.9578","","90","","90","","90","","341.314","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li1.96 Y2 Ti2 O5 S2","","- Li1.96 O5 S2 Ti2 Y2 -","- Li1.96 O5 S2 Ti2 Y2 -","- Li3.92 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Gal, Z.A.; Rutt, O.J.; Hayward, M.A.; Denis, S.G.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158503","2020-10-21","18:00:00",""
"4124536","3.8359","","3.8359","","22.4566","","90","","90","","90","","330.429","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.46 Y2 Ti2 O5 S2","","- Li0.46 O5 S2 Ti2 Y2 -","- Li0.46 O5 S2 Ti2 Y2 -","- Li0.92 O10 S4 Ti4 Y4 -","2","0.0625","","Hyett, G.; Rutt, O.J.; Gal, Z.A.; Hayward, M.A.; Denis, S.G.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158505","2020-10-21","18:00:00",""
"4124537","3.8189","","3.8542","","22.468","","90","","90","","90","","330.702","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","Li1.04 Y2 Ti2 O5 S2","","- Li1.04 O5 S2 Ti2 Y2 -","- Li1.04 O5 S2 Ti2 Y2 -","- Li2.08 O10 S4 Ti4 Y4 -","2","0.125","","Hyett, G.; Rutt, O.J.; Gal, Z.A.; Denis, S.G.; Hayward, M.A.; Clarke, S.J.","Electronically driven structural distortions in lithium intercalates of the n=2 Ruddlesden-Popper-type host Y2 Ti2 O5 S2: synthesis, structure and properties of Lix Y2 Ti2 O5 S2 (0 < x <2)","Journal of the American Chemical Society","2004","126","","1980","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","158507","2020-10-21","18:00:00",""
"4124538","5.43835","","7.66195","","5.38201","","90","","90","","90","","224.26","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na (Sb O3)","","- Na O3 Sb -","- Na O3 Sb -","- Na4 O12 Sb4 -","4","0.5","","Mizoguchi, H.; Woodward, P.M.; Byeon Song-Ho; Parise, J.B.","Polymorphism in Na Sb O3: structure and bonding in metal oxides","Journal of the American Chemical Society","2004","126","","3175","3184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124540","5.4353","","7.6942","","5.4366","","90","","90","","90","","227.36","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","La0.606 Li0.183 (Ti O3)","","- La0.606 Li0.183 O3 Ti -","- La0.606 O3 Ti -","- La2.424 O12 Ti4 -","4","0.5","","Garcia-Martin, S.; Alario-Franco, M.A.; Ehrenberg, H.; Rodriguez-Carvajal, J.; Amador, U.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124541","5.4276","","7.6947","","5.4126","","90","","90","","90","","226.05","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","La0.58 Li0.27 (Ti O3)","","- La0.58 O3 Ti -","- La0.58 O3 Ti -","- La2.32 O12 Ti4 -","4","0.5","","Garcia-Martin, S.; Alario-Franco, M.A.; Rodriguez-Carvajal, J.; Ehrenberg, H.; Amador, U.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124542","5.4311","","5.4279","","7.7216","","90","","90","","90.157","","227.628","","","","","","","","","","","","","4","P 1 1 2/m","-P 2","10","","La0.62 Li0.18 (Ti O3)","","- La0.62 Li0.18 O3 Ti -","- La0.62 Li0.18 O3 Ti -","- La2.48 Li0.72 O12 Ti4 -","4","1","","Garcia-Martin, S.; Alario-Franco, M.A.; Amador, U.; Ehrenberg, H.; Rodriguez-Carvajal, J.","Crystal structure and microstructure of some La2/3-x Li3x Ti O3 oxides: an example of the complementary use of electron diffraction and microscopy and synchrotron X-ray diffraction to study complex materials","Journal of the American Chemical Society","2004","126","","3587","3596","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124613","3.9313","","11.5629","","3.4926","","90","","90","","90","","158.764","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Sr (Cu2 O3)","","- Cu2 O3 Sr -","- Cu2 O3 Sr -","- Cu4 O6 Sr2 -","2","0.125","","Azuma, M.; Yoshida, H.; Saito, T.; Yamada, T.; Takano, M.","Pressure-induced buckling of spin ladder in Sr Cu2 O3","Journal of the American Chemical Society","2004","126","","8244","8246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124614","3.8833","","10.6202","","3.2791","","90","","90","","90","","135.235","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Sr (Cu2 O3)","","- Cu2 O3 Sr -","- Cu2 O3 Sr -","- Cu4 O6 Sr2 -","2","0.25","","Azuma, M.; Yoshida, H.; Saito, T.; Yamada, T.; Takano, M.","Pressure-induced buckling of spin ladder in Sr Cu2 O3","Journal of the American Chemical Society","2004","126","","8244","8246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4310269","7.3378","0.0004","7.2624","0.0004","14.9373","0.0008","90","","98.089","0.001","90","","788.09","0.07","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Ag2 N6 O6 -","- C12 H8 Ag2 N6 O6 -","- C24 H16 Ag4 N12 O12 -","2","0.5","","Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu","New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI","Inorganic Chemistry","2004","43","","181","188","10.1021/ic030254w","","","0.71073","MoKα","","0.0225","0.0197","","","0.0461","0.0475","","","","","","1.081","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310270","14.1509","0.0007","13.6874","0.0007","14.6407","0.0007","90","","107.64","0.001","90","","2702.4","0.2","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ag2 F6 N8 O Si -","- C24 H18 Ag2 F6 N8 O Si -","- C96 H72 Ag8 F24 N32 O4 Si4 -","4","1","","Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu","New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI","Inorganic Chemistry","2004","43","","181","188","10.1021/ic030254w","","","0.71073","MoKα","","0.0776","0.0401","","","0.0714","0.0823","","","","","","1.091","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4310271","27.356","0.006","6.5352","0.0015","3.7201","0.0009","90","","92.481","0.004","90","","664.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H8 Ag N5 O3 -","- C12 H8 Ag N5 O3 -","- C24 H16 Ag2 N10 O6 -","2","0.5","","Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu","New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI","Inorganic Chemistry","2004","43","","181","188","10.1021/ic030254w","","","0.71073","MoKα","","0.0611","0.059","","","0.1573","0.1624","","","","","","1.098","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310272","7.3277","0.0006","25.005","0.002","5.3681","0.0004","90","","128.929","0.001","90","","765.16","0.11","160","2","160","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C14 H6 Ag N7 O3 -","- C14 H6 Ag N7 O3 -","- C28 H12 Ag2 N14 O6 -","2","0.5","","Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu","New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI","Inorganic Chemistry","2004","43","","181","188","10.1021/ic030254w","","","0.71073","MoKα","","0.0186","0.0185","","","0.0427","0.0427","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310273","11.2816","0.0007","19.3224","0.0011","6.1554","0.0004","90","","90","","90","","1341.8","0.14","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H8 Cu N5 S -","- C13 H8 Cu N5 S -","- C52 H32 Cu4 N20 S4 -","4","0.5","","Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu","New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI","Inorganic Chemistry","2004","43","","181","188","10.1021/ic030254w","","","0.71073","MoKα","","0.0271","0.0228","","","0.0596","0.0622","","","","","","1.075","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310274","22.993","0.002","6.094","0.0005","5.3827","0.0006","90","","90","","90","","754.22","0.12","120","2","120","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C15 H6 Cu N7 S -","- C15 H6 Cu N7 S -","- C30 H12 Cu2 N14 S2 -","2","0.5","","Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu","New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI","Inorganic Chemistry","2004","43","","181","188","10.1021/ic030254w","","","0.6934","synchrotron","","0.0449","0.0438","","","0.0993","0.0998","","","","","","1.058","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310275","7.7975","0.0004","9.0264","0.0004","13.0844","0.0002","74.765","0.002","87.993","0.003","74.033","0.003","853.59","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4.5 H3 Cd0.25 N0.5 O1.75 S0.25 -","- C4.5 H3 Cd0.25 N0.5 O1.75 S0.25 -","- C36 H24 Cd2 N4 O14 S2 -","8","4","","Zhong-Ming Sun; Jiang-Gao Mao; Yan-Qiong Sun; Hui-Yi Zeng; Abraham Clearfield","Synthesis, Characterization, and Crystal Structures of Three New Divalent Metal Carboxylate-Sulfonates with a Layered and One-Dimensional Structure","Inorganic Chemistry","2004","43","","336","341","10.1021/ic0343307","","","0.71073","MoKα","","0.1197","0.0709","","","0.1237","0.1493","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310276","8.5317","0.0001","40.5665","0.0002","16.6382","0.0001","90","","104.509","0.001","90","","5574.85","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 Cd3 N8 O18 S2 -","- C56 H38 Cd3 N8 O18 S2 -","- C224 H152 Cd12 N32 O72 S8 -","4","1","","Zhong-Ming Sun; Jiang-Gao Mao; Yan-Qiong Sun; Hui-Yi Zeng; Abraham Clearfield","Synthesis, Characterization, and Crystal Structures of Three New Divalent Metal Carboxylate-Sulfonates with a Layered and One-Dimensional Structure","Inorganic Chemistry","2004","43","","336","341","10.1021/ic0343307","","","0.71073","MoKα","","0.1122","0.0656","","","0.1037","0.1226","","","","","","1.176","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310277","8.7273","0.0003","9.5184","0.0004","13.7818","0.0006","96.608","0.002","94.816","0.002","117.269","0.002","998.68","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N2 O10 S Zn -","- C18 H12 N2 O10 S Zn -","- C36 H24 N4 O20 S2 Zn2 -","2","1","","Zhong-Ming Sun; Jiang-Gao Mao; Yan-Qiong Sun; Hui-Yi Zeng; Abraham Clearfield","Synthesis, Characterization, and Crystal Structures of Three New Divalent Metal Carboxylate-Sulfonates with a Layered and One-Dimensional Structure","Inorganic Chemistry","2004","43","","336","341","10.1021/ic0343307","","","0.71073","MoKα","","0.1019","0.0701","","","0.1695","0.1997","","","","","","0.977","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310278","14.2486","0.0012","8.2733","0.0007","39.298","0.002","90","","99.53","0.006","90","","4568.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Eu2(adipate)3(H2O)]H2O","","","- C18 H28 Eu2 O14 -","- C18 H26 Eu2 O14 -","- C144 H208 Eu16 O112 -","8","1","","Yoo-Jin Kim; Myungkoo Suh; Duk-Young Jung","Crystal Structure and Spectroscopic Study of Novel Two- and Three-Dimensional Photoluminescent Eu(III)-Adipate Compounds","Inorganic Chemistry","2004","43","","245","250","10.1021/ic034418k","","","0.71073","MoKα","","0.0791","0.0654","","0.204","0.1656","","","","1.073","1.052","1.052","","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310279","11.661","0.004","14.011","0.003","9.013","0.004","90","","110.87","0.03","90","","1376","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Eu2(adipate)3 4(H2O)","","","- C18 H32 Eu2 O16 -","- C18 H24 Eu2 O16 -","- C36 H48 Eu4 O32 -","2","0.5","","Yoo-Jin Kim; Myungkoo Suh; Duk-Young Jung","Crystal Structure and Spectroscopic Study of Novel Two- and Three-Dimensional Photoluminescent Eu(III)-Adipate Compounds","Inorganic Chemistry","2004","43","","245","250","10.1021/ic034418k","","","0.71073","MoKα","","0.0725","0.048","","0.1321","0.1137","","","","1.056","1.072","1.072","","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310280","11.511","0.005","18.772","0.005","28.381","0.005","90","0.005","90","0.005","90","0.005","6133","3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Br12 Cs4 Mo6 S2 -","- Br12.103 Cs4 Mo6 S1.897 -","- Br96.824 Cs32 Mo48 S15.176 -","8","1","","Stéphane Cordier; Nikolaï G. Naumov; Diala Salloum; Frédéric Paul; Christiane Perrin","Synthesis and Characterization of Mo6 Chalcobromides and Cyano-Substituted Compounds Built from a Novel [(Mo6Bri6Yi2)La6]n- Discrete Cluster Unit (Yi= S or Se and La= Br or CN)","Inorganic Chemistry","2004","43","","219","226","10.1021/ic034443q","","x-ray","0.71069","MoKα","","","0.0564","","","","0.1536","","","","","","0.953","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310281","11.624","0.005","18.944","0.005","28.487","0.005","90","","90","","90","","6273","3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Br12 Cs4 Mo6 Se2 -","- Br14 Cs3.93 Mo6 -","- Br112 Cs31.44 Mo48 -","8","1","","Stéphane Cordier; Nikolaï G. Naumov; Diala Salloum; Frédéric Paul; Christiane Perrin","Synthesis and Characterization of Mo6 Chalcobromides and Cyano-Substituted Compounds Built from a Novel [(Mo6Bri6Yi2)La6]n- Discrete Cluster Unit (Yi= S or Se and La= Br or CN)","Inorganic Chemistry","2004","43","","219","226","10.1021/ic034443q","","x-ray","0.71069","MoKα","","","0.0501","","","","0.1303","","","","","","0.998","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310282","17.1969","0.0004","17.1969","0.0004","17.1969","0.0004","90","","90","","90","","5085.7","0.2","293","2","","","","","","","","","","9","P m -3 m","-P 4 2 3","221","","","","- C106 H252 Br18 Cs0.4 K0.6 Mo18 N29 O16 S6 -","- C105.6 Br17.448 Cs0.402 K0.6 Mo18 N29 O15.46 S6.48 -","- C105.6 Br17.448 Cs0.402 K0.6 Mo18 N29 O15.46 S6.48 -","1","0.0208333","","Stéphane Cordier; Nikolaï G. Naumov; Diala Salloum; Frédéric Paul; Christiane Perrin","Synthesis and Characterization of Mo6 Chalcobromides and Cyano-Substituted Compounds Built from a Novel [(Mo6Bri6Yi2)La6]n- Discrete Cluster Unit (Yi= S or Se and La= Br or CN)","Inorganic Chemistry","2004","43","","219","226","10.1021/ic034443q","","x-ray","0.71073","MoKα","","","0.0471","","","","0.1454","","","","","","1.068","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310283","17.2351","0.0003","17.2351","0.0003","17.2351","0.0003","90","","90","","90","","5119.66","0.15","293","2","","","","","","","","","","9","P m -3 m","-P 4 2 3","221","","","","- C106 H252 Br18 Cs0.4 K0.6 Mo18 N29 O16 Se6 -","- C105.6 Br18 Cs0.436 K0.56 Mo18 N29 O16.434 Se6 -","- C105.6 Br18 Cs0.436 K0.56 Mo18 N29 O16.434 Se6 -","1","0.0208333","","Stéphane Cordier; Nikolaï G. Naumov; Diala Salloum; Frédéric Paul; Christiane Perrin","Synthesis and Characterization of Mo6 Chalcobromides and Cyano-Substituted Compounds Built from a Novel [(Mo6Bri6Yi2)La6]n- Discrete Cluster Unit (Yi= S or Se and La= Br or CN)","Inorganic Chemistry","2004","43","","219","226","10.1021/ic034443q","","x-ray","0.71073","MoKα","","","0.0364","","","","0.1131","","","","","","1.073","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310284","9.5113","0.0005","27.216","0.002","11.4755","0.0006","90","","101.07","0.004","90","","2915.3","0.3","123","","","","","","","","","","Local laboratory","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl2 Fe N10 O8 -","- C24 H32 Cl2 Fe N10 O8 -","- C96 H128 Cl8 Fe4 N40 O32 -","4","1","","Galina S. Matouzenko; Azzedine Bousseksou; Serguei A. Borshch; Monique Perrin; Samir Zein; Lionel Salmon; Gabor Molnar; Sylvain Lecocq","Cooperative Spin Crossover and Order-Disorder Phenomena in a Mononuclear Compound [Fe(DAPP)(abpt)](ClO4)2 [DAPP = [Bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]","Inorganic Chemistry","2004","43","","227","236","10.1021/ic034450e","","","0.71073","MoKα","","0.1401","0.0714","","","0.1494","0.1705","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310285","9.4055","0.0003","26.2237","0.0005","12.338","0.001","90","0.002","98.083","0.002","90","0.002","3012.9","0.3","183","","","","","","","","","","Local laboratory","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl2 Fe N10 O8 -","- C24 H32 Cl2 Fe N10 O8 -","- C96 H128 Cl8 Fe4 N40 O32 -","4","1","","Galina S. Matouzenko; Azzedine Bousseksou; Serguei A. Borshch; Monique Perrin; Samir Zein; Lionel Salmon; Gabor Molnar; Sylvain Lecocq","Cooperative Spin Crossover and Order-Disorder Phenomena in a Mononuclear Compound [Fe(DAPP)(abpt)](ClO4)2 [DAPP = [Bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]","Inorganic Chemistry","2004","43","","227","236","10.1021/ic034450e","","","0.71073","MoKα","","0.0941","0.0802","","","0.2091","0.2182","","","","","","1.318","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310286","9.4249","0.0002","26.5258","0.0009","12.4093","0.0004","90","","97.787","0.002","90","","3073.75","0.16","293","","","","","","","","","","Local laboratory","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl2 Fe N10 O8 -","- C24 H32 Cl2 Fe N10 O8 -","- C96 H128 Cl8 Fe4 N40 O32 -","4","1","","Galina S. Matouzenko; Azzedine Bousseksou; Serguei A. Borshch; Monique Perrin; Samir Zein; Lionel Salmon; Gabor Molnar; Sylvain Lecocq","Cooperative Spin Crossover and Order-Disorder Phenomena in a Mononuclear Compound [Fe(DAPP)(abpt)](ClO4)2 [DAPP = [Bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]","Inorganic Chemistry","2004","43","","227","236","10.1021/ic034450e","","","0.71073","MoKα","","0.1473","0.0739","","","0.1824","0.205","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310287","11.258","0.006","11.258","0.006","8.948","0.006","90","","90","","120","","982.2","1","300","1","300","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12.328 Fe N24 O1.236 P2 -","- C18 H30 F12.328 Fe N24 O1.236 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0514","0.0487","","","0.1382","0.1416","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310288","10.989","0.003","10.989","0.003","8.702","0.002","90","","90","","120","","910.1","0.4","100","1","100","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.072 P2 -","- C18 H30 F12 Fe N24 O1.072 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.035","0.0337","","","0.0712","0.0718","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310289","10.995","0.005","10.995","0.005","8.714","0.004","90","","90","","120","","912.3","0.7","140","1","140","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.06 P2 -","- C18 H30 F12 Fe N24 O1.06 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0389","0.0363","","","0.0756","0.0768","","","","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310290","10.997","0.008","10.997","0.008","8.714","0.005","90","","90","","120","","912.6","1.1","150","1","150","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.056 P2 -","- C18 H30 F12 Fe N24 O1.056 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0406","0.0361","","","0.0779","0.0798","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310291","11.076","0.004","11.076","0.004","8.762","0.003","90","","90","","120","","930.9","0.6","160","1","160","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.274 P2 -","- C18 H30 F12 Fe N24 O1.274 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0339","0.0313","","","0.0768","0.0782","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310292","11.126","0.003","11.126","0.003","8.795","0.003","90","","90","","120","","942.9","0.5","165","1","165","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.228 P2 -","- C18 H30 F12 Fe N24 O1.228 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0526","0.0442","","","0.0944","0.0984","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310293","11.2","0.008","11.2","0.008","8.837","0.007","90","","90","","120","","960","1.2","170","1","170","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.294 P2 -","- C18 H30 F12 Fe N24 O1.294 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0485","0.0428","","","0.0997","0.1027","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310294","11.253","0.006","11.253","0.006","8.879","0.005","90","","90","","120","","973.7","0.9","180","1","180","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.202 P2 -","- C18 H30 F12 Fe N24 O1.202 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0511","0.0468","","","0.116","0.1192","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310295","11.259","0.007","11.259","0.007","8.887","0.006","90","","90","","120","","975.6","1.1","200","1","200","1","","","","","","","","7","P -3","-P 3","147","","[mue-tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] bis(hexafluorophosphate solvate (methanol, water)","","- C18 H30 F12 Fe N24 O1.3 P2 -","- C18 H30 F12 Fe N24 O1.168 P2 -","- C18 H30 F12 Fe N24 O1.168 P2 -","1","0.166667","","C. Matthias Grunert; Johannes Schweifer; Peter Weinberger; Wolfgang Linert; Kurt Mereiter; Gerfried Hilscher; Martin Müller; Günter Wiesinger; Petra J. van Koningsbruggen","Structure and Physical Properties of [μ-Tris(1,4-bis(tetrazol-1-yl)butane-N4,N4')iron(II)] Bis(hexafluorophosphate), a New Fe(II) Spin-Crossover Compound with a Three-Dimensional Threefold Interlocked Crystal Lattice","Inorganic Chemistry","2004","43","","155","165","10.1021/ic034452z","","","0.71073","MoKα","","0.0532","0.0496","","","0.1282","0.1309","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310296","8.1714","0.0012","21.337","0.003","16.404","0.002","90","","94.92","0.017","90","","2849.6","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H64 Cl3 Co N22 O6 P6 -","- C34 H56 Cl3 Co N22 O6 P6 -","- C68 H112 Cl6 Co2 N44 O12 P12 -","2","1","","Vadapalli Chandrasekhar; Venkatasubbaiah Krishnan; Alexander Steiner; Jamie F. Bickley","Cyclotriphosphazene Hydrazides as Efficient Multisite Coordination Ligands. η3-fac-non-geminal-N3 Coordination of spiro-N3P3[O2C12H8][N(Me)NH2]4(L) in L2CoCl3 and L2M(NO3)2 (M = Ni, Zn, Cd)","Inorganic Chemistry","2004","43","","166","172","10.1021/ic034561d","","","0.71073","MoKα","","0.0451","0.0398","","","0.1038","0.1077","","","","","","1.051","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310297","15.2295","0.0011","13.1274","0.001","16.3455","0.0012","90","","103.72","0.001","90","","3174.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H63 Cl6 N24 Ni O12.5 P6 -","- C34 H58 Cl6 N24 Ni O12.5 P6 -","- C68 H116 Cl12 N48 Ni2 O25 P12 -","2","0.5","","Vadapalli Chandrasekhar; Venkatasubbaiah Krishnan; Alexander Steiner; Jamie F. Bickley","Cyclotriphosphazene Hydrazides as Efficient Multisite Coordination Ligands. η3-fac-non-geminal-N3 Coordination of spiro-N3P3[O2C12H8][N(Me)NH2]4(L) in L2CoCl3 and L2M(NO3)2 (M = Ni, Zn, Cd)","Inorganic Chemistry","2004","43","","166","172","10.1021/ic034561d","","","0.71073","MoKα","","0.0727","0.0632","","","0.1684","0.1767","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310298","16.331","0.0009","15.5539","0.0009","12.7101","0.0007","90","","108.546","0.001","90","","3060.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 N26 O12 P6 Zn -","- C36 H62 N26 O12 P6 Zn -","- C72 H124 N52 O24 P12 Zn2 -","2","0.5","","Vadapalli Chandrasekhar; Venkatasubbaiah Krishnan; Alexander Steiner; Jamie F. Bickley","Cyclotriphosphazene Hydrazides as Efficient Multisite Coordination Ligands. η3-fac-non-geminal-N3 Coordination of spiro-N3P3[O2C12H8][N(Me)NH2]4(L) in L2CoCl3 and L2M(NO3)2 (M = Ni, Zn, Cd)","Inorganic Chemistry","2004","43","","166","172","10.1021/ic034561d","","","0.71073","MoKα","","0.0417","0.0387","","","0.1161","0.1179","","","","","","1.054","","","","has coordinates,has disorder","179141","2020-10-21","18:00:00",""
"4310299","9.9584","0.0005","17.1445","0.0009","31.4379","0.0016","90","","90","","90","","5367.4","0.5","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C32 H56 Cd N24 O10 P6 -","- C32 H56 Cd N24 O10 P6 -","- C128 H224 Cd4 N96 O40 P24 -","4","0.5","","Vadapalli Chandrasekhar; Venkatasubbaiah Krishnan; Alexander Steiner; Jamie F. Bickley","Cyclotriphosphazene Hydrazides as Efficient Multisite Coordination Ligands. η3-fac-non-geminal-N3 Coordination of spiro-N3P3[O2C12H8][N(Me)NH2]4(L) in L2CoCl3 and L2M(NO3)2 (M = Ni, Zn, Cd)","Inorganic Chemistry","2004","43","","166","172","10.1021/ic034561d","","","0.71073","MoKα","","0.0473","0.043","","","0.1151","0.1181","","","","","","1.072","","","","has coordinates,has disorder","179141","2020-10-21","18:00:00",""
"4310300","9.9151","0.0006","26.432","0.002","10.2116","0.0006","90","","90","","90","","2676.2","0.3","293","2","293","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ca18 In25.07 Li5 -","- Ca18 In25.072 Li5 -","- Ca36 In50.144 Li10 -","2","0.125","","Jiang-Gao Mao; Joanna Goodey; Arnold M. Guloy","Synthesis and Structure of Ca18Li5In25.07: A Novel Intergrowth of Li-Centered In12 Icosahedral Clusters and Electron-Precise Zintl Layers","Inorganic Chemistry","2004","43","","282","289","10.1021/ic034594t","","","0.71073","MoKα","","0.041","0.0313","","0.0947","0.0813","","","","1.074","1.142","1.142","","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310301","16.705","0.004","16.705","0.004","13.956","0.005","90","","90","","90","","3894.5","1.9","173","2","173","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- As2 Cu4 H23 K9 Na O77.5 W18 -","- As2 Cu4 K9 Na O77.52 W18 -","- As4 Cu8 K18 Na2 O155.04 W36 -","2","0.25","","Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Naresh S. Dalal; Johan van Tol; Bassem S. Bassil","Structure and Magnetism of the Tetra-Copper(II)-Substituted Heteropolyanion [Cu4K2(H2O)8(α-AsW9O33)2]8-","Inorganic Chemistry","2004","43","","144","154","10.1021/ic034697b","","","0.71073","MoKα","","0.0691","0.0457","","","0.1066","0.1229","","","","","","1.056","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310302","6.7744","0.0012","6.9938","0.0012","8.9602","0.0016","90","","108.225","0.003","90","","403.23","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Potassium Samarium Tetraselenogermanate","Potassium Samarium Tetraselenogermanate","","- Ge K Se4 Sm -","- Ge K Se4 Sm -","- Ge2 K2 Se8 Sm2 -","2","1","","Benjamin R. Martin; Peter K. Dorhout","Molten Flux Synthesis of an Analogous Series of Layered Alkali Samarium Selenogermanate Compounds","Inorganic Chemistry","2004","43","","385","391","10.1021/ic034724y","","","0.71073","MoKα","","0.0495","0.0414","","","0.0925","0.0947","","","","","","1.016","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310303","6.7347","0.0008","7.0185","0.0009","17.723","0.002","90","","90","","90","","837.72","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Rubidium Samarium Tetraselenogermanate","Rubidium Samarium Tetraselenogermanate","","- Ge Rb Se4 Sm -","- Ge Rb Se4 Sm -","- Ge4 Rb4 Se16 Sm4 -","4","1","","Benjamin R. Martin; Peter K. Dorhout","Molten Flux Synthesis of an Analogous Series of Layered Alkali Samarium Selenogermanate Compounds","Inorganic Chemistry","2004","43","","385","391","10.1021/ic034724y","","","0.71073","MoKα","","0.0482","0.0336","","","0.0608","0.0635","","","","","","0.886","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310304","6.707","0.002","7.067","0.002","18.334","0.006","90","","90","","90","","869","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cesium Samarium Tetraselenogermanate","Cesium Samarium Tetraselenogermanate","","- Cs Ge Se4 Sm -","- Cs Ge Se4 Sm -","- Cs4 Ge4 Se16 Sm4 -","4","1","","Benjamin R. Martin; Peter K. Dorhout","Molten Flux Synthesis of an Analogous Series of Layered Alkali Samarium Selenogermanate Compounds","Inorganic Chemistry","2004","43","","385","391","10.1021/ic034724y","","","0.71073","MoKα","","0.0421","0.0335","","","0.0584","0.0601","","","","","","0.938","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310305","5.363","0.003","5.616","0.003","8.773","0.006","89.078","0.01","84.38","0.01","64.981","0.009","238.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 O2 S2 -","- C3 H7 O S -","- C6 H14 O2 S2 -","2","1","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.0512","0.0413","","","0.1017","0.1086","","","","","","1.114","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310306","20.38","0.06","11.79","0.03","19.9","0.05","90","","105.82","0.07","90","","4600","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl3 La N0 O20 S6 -","- C20 H40 Cl3 La O20 S6 -","- C80 H160 Cl12 La4 O80 S24 -","4","0.5","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.0731","0.0451","","","0.0957","0.1077","","","","","","1.006","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310307","20.109","0.006","11.516","0.004","19.466","0.006","90","","105.896","0.005","90","","4335","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl3 N0 Nd O20 S6 -","- C20 H40 Cl3 Nd O20 S6 -","- C80 H160 Cl12 Nd4 O80 S24 -","4","0.5","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.0435","0.0312","","","0.0747","0.0793","","","","","","0.993","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310308","19.964","0.008","11.533","0.004","19.291","0.007","90","","105.919","0.006","90","","4271","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl3 Eu N0 O20 S6 -","- C20 H40 Cl3 Eu O20 S6 -","- C80 H160 Cl12 Eu4 O80 S24 -","4","0.5","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.0977","0.0557","","","0.0954","0.1061","","","","","","1.07","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310309","20.107","0.006","11.469","0.004","19.347","0.006","90","","105.707","0.005","90","","4295","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl3 Gd N0 O20 S6 -","- C20 H48 Cl3 Gd O20.5 S6 -","- C80 H192 Cl12 Gd4 O82 S24 -","4","0.5","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.0515","0.0391","","","0.0948","0.1021","","","","","","1.015","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310310","19.976","0.008","11.584","0.005","19.242","0.008","90","","105.831","0.007","90","","4284","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl3 N0 O20 S6 Tb -","- C20 H40 Cl3 O20 S6 Tb -","- C80 H160 Cl12 O80 S24 Tb4 -","4","0.5","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.0767","0.0471","","","0.1021","0.1144","","","","","","1.015","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310311","20.001","0.006","11.481","0.004","19.222","0.006","90","","105.656","0.005","90","","4250","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl30 Dy10 N0 O20 S6 -","- C20 H40 Cl3 Dy O20 S6 -","- C80 H160 Cl12 Dy4 O80 S24 -","4","0.5","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.0626","0.0381","","","0.072","0.0784","","","","","","0.978","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310312","20.015","0.004","11.379","0.007","19.017","0.001","90","","105.75","0.005","90","","4169","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl3 N0 O20 S6 Yb -","- C20 H40 Cl3 O20 S6 Yb -","- C80 H160 Cl12 O80 S24 Yb4 -","4","0.5","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.0352","0.0269","","","0.0661","0.069","","","","","","1.013","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310313","9.524","0.004","10.176","0.004","12.987","0.005","92.607","0.007","91.87","0.007","117.236","0.006","1115.9","0.8","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H21 N3 O12 S3 Yb -","- C9 H17 N3 O12 S3 Yb -","- C18 H34 N6 O24 S6 Yb2 -","2","1","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.0452","0.0336","","","0.0744","0.0794","","","","","","1.004","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310314","9.321","0.011","13.112","0.016","16.21","0.02","98.21","0.02","105.02","0.02","104.12","0.02","1810","4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H35 La N3 O5 S8 -","- C18 H27 La N3 O5 S8 -","- C36 H54 La2 N6 O10 S16 -","2","1","","Jian-Rong Li; Xian-He Bu; Ruo-Hua Zhang","Novel Lanthanide Coordination Polymers with a Flexible Disulfoxide Ligand, 1,2-Bis(ethylsulfinyl)ethane: Structures, Stereochemistry, and the Influences of Counteranions on the Framework Formations","Inorganic Chemistry","2004","43","","237","244","10.1021/ic034772i","","","0.71073","MoKα","","0.2714","0.1014","","","0.1803","0.2366","","","","","","0.973","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310315","13.039","0.009","17.821","0.012","11.064","0.008","90","","92.388","0.012","90","","2569","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Br4 Cd2 N8 O -","- C12 H24 Br4 Cd2 N8 O -","- C48 H96 Br16 Cd8 N32 O4 -","4","1","","Long Yi; Bin Ding; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Novel Triazole-Bridged Cadmium Coordination Polymers Varying from Zero- to Three-Dimensionality","Inorganic Chemistry","2004","43","","33","43","10.1021/ic0348244","","","0.71073","MoKα","","0.097","0.0409","","","0.0503","0.0582","","","","","","0.919","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310316","9.726","0.004","15.656","0.006","9.988","0.004","90","","110.665","0.006","90","","1423","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Cd3 Cl6 N8 O4 -","- C12 H32 Cd3 Cl6 N8 O4 -","- C24 H64 Cd6 Cl12 N16 O8 -","2","0.5","","Long Yi; Bin Ding; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Novel Triazole-Bridged Cadmium Coordination Polymers Varying from Zero- to Three-Dimensionality","Inorganic Chemistry","2004","43","","33","43","10.1021/ic0348244","","","0.71073","MoKα","","0.0465","0.0274","","","0.0508","0.0553","","","","","","1.017","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310317","9.157","0.004","10.054","0.004","10.609","0.004","85.919","0.006","85.103","0.005","82.677","0.005","963.4","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H10 Cd Cl2 N3 O1.5 -","- C4 H7 Cd Cl2 N3 O1.5 -","- C16 H28 Cd4 Cl8 N12 O6 -","4","2","","Long Yi; Bin Ding; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Novel Triazole-Bridged Cadmium Coordination Polymers Varying from Zero- to Three-Dimensionality","Inorganic Chemistry","2004","43","","33","43","10.1021/ic0348244","","","0.71073","MoKα","","0.0517","0.0376","","","0.0834","0.0891","","","","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310318","8.657","0.007","11.312","0.01","13.068","0.011","73.947","0.014","86.495","0.014","77.629","0.01","1201.3","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H52 Cd3 Cl2 N20 O2 S4 -","- C28 H48 Cd3 Cl2 N20 O2 S4 -","- C28 H48 Cd3 Cl2 N20 O2 S4 -","1","0.5","","Long Yi; Bin Ding; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Novel Triazole-Bridged Cadmium Coordination Polymers Varying from Zero- to Three-Dimensionality","Inorganic Chemistry","2004","43","","33","43","10.1021/ic0348244","","","0.71073","MoKα","","0.1304","0.0648","","","0.0888","0.1015","","","","","","0.958","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310319","18.428","0.006","11.066","0.004","20.899","0.006","90","","90","","90","","4262","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H32 Cd3 N22 S6 -","- C22 H32 Cd3 N22 S6 -","- C88 H128 Cd12 N88 S24 -","4","0.5","","Long Yi; Bin Ding; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Novel Triazole-Bridged Cadmium Coordination Polymers Varying from Zero- to Three-Dimensionality","Inorganic Chemistry","2004","43","","33","43","10.1021/ic0348244","","","0.71073","MoKα","","0.0871","0.059","","","0.1187","0.1329","","","","","","1.096","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310320","13.21","0.007","11.465","0.006","14.506","0.008","90","","92.743","0.008","90","","2194","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Cd N5 S2 -","- C6 H7 Cd N5 S2 -","- C48 H56 Cd8 N40 S16 -","8","2","","Long Yi; Bin Ding; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Novel Triazole-Bridged Cadmium Coordination Polymers Varying from Zero- to Three-Dimensionality","Inorganic Chemistry","2004","43","","33","43","10.1021/ic0348244","","","0.71073","MoKα","","0.0373","0.0279","","","0.068","0.0728","","","","","","1.001","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310321","12.037","0.004","18.318","0.005","13.362","0.004","90","","100.958","0.008","90","","2892.5","1.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Co3 N O10 Ru -","- C23 H26 Co3 N O10 Ru -","- C92 H104 Co12 N4 O40 Ru4 -","4","2","","Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter","Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes","Inorganic Chemistry","2004","43","","57","71","10.1021/ic034832k","","","0.71073","MoKα","","0.1188","0.0543","","","0.1279","0.153","","","","","","0.965","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310322","9.766","0.005","11.686","0.005","25.695","0.005","90","","95.038","0.005","90","","2921","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Co3 N O11 Ru -","- C24 H26 Co3 N O11 Ru -","- C96 H104 Co12 N4 O44 Ru4 -","4","1","","Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter","Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes","Inorganic Chemistry","2004","43","","57","71","10.1021/ic034832k","","","0.71069","MoKα","","0.0733","0.0333","","","0.0697","0.0831","","","","","","0.714","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310323","8.8088","0.001","8.9582","0.001","13.8572","0.001","93.529","0.005","106.739","0.005","101.978","0.005","1015.72","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Co2 O13 Ru -","- C15 H6 Co2 O13 Ru -","- C30 H12 Co4 O26 Ru2 -","2","1","","Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter","Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes","Inorganic Chemistry","2004","43","","57","71","10.1021/ic034832k","","","0.71073","MoKα","","0.1981","0.1232","","","0.1083","0.1228","","","","","","1.119","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310324","9.886","0.005","11.468","0.005","32.221","0.005","90","","90","","90","","3653","3","173","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Co3 N O10 Ru Si2 -","- C28 H38 Co3 N O10 Ru Si2 -","- C112 H152 Co12 N4 O40 Ru4 Si8 -","4","1","","Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter","Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes","Inorganic Chemistry","2004","43","","57","71","10.1021/ic034832k","","","0.71069","MoKα","","0.1506","0.0834","","","0.1551","0.1749","","","","","","1.087","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310325","12.531","0.002","13.382","0.002","29.276","0.003","90","","90","","90","","4909.3","1.2","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H53 Co3 N O9 P Ru Si2 -","- C45 H53 Co3 N O9 P Ru Si2 -","- C180 H212 Co12 N4 O36 P4 Ru4 Si8 -","4","1","","Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter","Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes","Inorganic Chemistry","2004","43","","57","71","10.1021/ic034832k","","","0.71073","MoKα","","0.0526","0.0368","","","0.077","0.0833","","","","","","0.86","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310326","10.534","0.001","14.5","0.001","26.686","0.001","87.389","0.005","87.001","0.005","86.167","0.005","4057.8","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H46 Co3 N O10 Ru Si -","- C33 H46 Co3 N O10 Ru Si -","- C132 H184 Co12 N4 O40 Ru4 Si4 -","4","2","","Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter","Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes","Inorganic Chemistry","2004","43","","57","71","10.1021/ic034832k","","","0.71069","MoKα","","0.1634","0.0815","","","0.1499","0.1783","","","","","","1.03","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310327","8.6035","0.0001","11.5305","0.0003","15.5628","0.0004","90","","96.757","0.002","90","","1533.15","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O9 Zn2 -","- C14 H12 N2 O9 Zn2 -","- C56 H48 N8 O36 Zn8 -","4","1","","S. V. Ganesan; Srinivasan Natarajan","Synthesis and Structures of New Pyromellitate Coordination Polymers with Piperazine as a Ligand","Inorganic Chemistry","2004","43","","198","205","10.1021/ic034836p","","","0.71073","MoKα","","0.0603","0.0374","","0.0892","0.0793","","","","1.059","1.098","1.098","","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310328","6.3028","0.0003","18.025","0.0008","16.0261","0.0007","90","","93.975","0.001","90","","1816.31","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cd2 N3 O9 -","- C16 H16 Cd2 N3 O9 -","- C64 H64 Cd8 N12 O36 -","4","1","","S. V. Ganesan; Srinivasan Natarajan","Synthesis and Structures of New Pyromellitate Coordination Polymers with Piperazine as a Ligand","Inorganic Chemistry","2004","43","","198","205","10.1021/ic034836p","","","0.71073","MoKα","","0.0293","0.024","","","0.0589","0.061","","","","","","1.042","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310329","8.682","0.0004","17.3291","0.0007","16.5834","0.0007","90","","92.883","0.002","90","","2491.84","0.19","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 I3 O4 Pr -","- C16 H32 I3 O4 Pr -","- C64 H128 I12 O16 Pr4 -","4","1","","Keith Izod; Stephen T. Liddle; William Clegg","A Convenient Route to Lanthanide Triiodide THF Solvates. Crystal Structures of LnI3(THF)4 [Ln = Pr] and LnI3(THF)3.5 [Ln = Nd, Gd, Y]","Inorganic Chemistry","2004","43","","214","218","10.1021/ic034851u","","","0.71073","MoKα","","0.0312","0.0252","","","0.0521","0.0538","","","","","","1.099","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310330","12.8595","0.001","12.1213","0.0009","28.828","0.002","90","","98.392","0.002","90","","4445.4","0.6","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 I6 Nd2 O7 -","- C28 H56 I6 Nd2 O7 -","- C112 H224 I24 Nd8 O28 -","4","0.5","","Keith Izod; Stephen T. Liddle; William Clegg","A Convenient Route to Lanthanide Triiodide THF Solvates. Crystal Structures of LnI3(THF)4 [Ln = Pr] and LnI3(THF)3.5 [Ln = Nd, Gd, Y]","Inorganic Chemistry","2004","43","","214","218","10.1021/ic034851u","","","0.71073","MoKα","","0.0673","0.0616","","","0.155","0.1577","","","","","","1.255","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310331","12.8046","0.0009","12.1093","0.0008","28.717","0.002","90","","98.299","0.002","90","","4406.1","0.5","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 Gd2 I6 O7 -","- C28 H56 Gd2 I6 O7 -","- C112 H224 Gd8 I24 O28 -","4","0.5","","Keith Izod; Stephen T. Liddle; William Clegg","A Convenient Route to Lanthanide Triiodide THF Solvates. Crystal Structures of LnI3(THF)4 [Ln = Pr] and LnI3(THF)3.5 [Ln = Nd, Gd, Y]","Inorganic Chemistry","2004","43","","214","218","10.1021/ic034851u","","","0.71073","MoKα","","0.0601","0.0376","","","0.0725","0.079","","","","","","1.085","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310332","12.7749","0.0014","12.0737","0.0014","28.626","0.003","90","","98.204","0.002","90","","4370.1","0.8","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 I6 O7 Y2 -","- C28 H56 I6 O7 Y2 -","- C112 H224 I24 O28 Y8 -","4","0.5","","Keith Izod; Stephen T. Liddle; William Clegg","A Convenient Route to Lanthanide Triiodide THF Solvates. Crystal Structures of LnI3(THF)4 [Ln = Pr] and LnI3(THF)3.5 [Ln = Nd, Gd, Y]","Inorganic Chemistry","2004","43","","214","218","10.1021/ic034851u","","","0.71073","MoKα","","0.0969","0.0505","","","0.1156","0.1351","","","","","","1.021","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310333","9.811","0.003","20.149","0.005","19.413","0.005","90","","93.522","0.006","90","","3830.3","1.8","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H20 F15 N2 O2 P Pt Rh -","- C39 H20 F15 N2 O2 P Pt Rh -","- C156 H80 F60 N8 O8 P4 Pt4 Rh4 -","4","1","","Juan A. Casares; Pablo Espinet; José M. Martín-Alvarez; Verónica Santos","Anionic Platinum Complexes with 2-Pyridylphosphines as Ligands for Rhodium: Synthesis of Zwitterionic Pt-Rh Organometallic Compounds","Inorganic Chemistry","2004","43","","189","197","10.1021/ic034863f","","","0.71073","MoKα","","0.0585","0.0354","","","0.0743","0.0841","","","","","","1.006","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310334","20.766","0.004","17.801","0.003","25.945","0.005","90","","90","","90","","9591","3","298","2","298","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C48 H25 D12 F15 N2 O2 P Pt Rh -","- C48 H25 D12 F15 N2 O2 P Pt Rh -","- C384 H200 D96 F120 N16 O16 P8 Pt8 Rh8 -","8","1","","Juan A. Casares; Pablo Espinet; José M. Martín-Alvarez; Verónica Santos","Anionic Platinum Complexes with 2-Pyridylphosphines as Ligands for Rhodium: Synthesis of Zwitterionic Pt-Rh Organometallic Compounds","Inorganic Chemistry","2004","43","","189","197","10.1021/ic034863f","","","0.71073","MoKα","","0.1079","0.0411","","","0.0761","0.1013","","","","","","1.012","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310335","21.7112","0.0005","8.5601","0.0002","15.0871","0.0004","90","","118.911","0.001","90","","2454.49","0.11","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H42 Cl N O2 P2 Ru -","- C19 H42 Cl N O2 P2 Ru -","- C76 H168 Cl4 N4 O8 P8 Ru4 -","4","0.5","","Alexei V. Marchenko; Andrei N. Vedernikov; David F. Dye; Maren Pink; Jeffrey M. Zaleski; Kenneth G. Caulton","Reactivity of the Hydrido/Nitrosyl Radical MHCl(NO)(CO)(PiPr3)2, M = Ru, Os","Inorganic Chemistry","2004","43","","351","360","10.1021/ic0349407","","","0.71073","MoKα","","0.0272","0.0236","","","0.0582","0.0592","","","","","","1.152","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310336","8.6509","0.0006","8.6509","0.0006","8.6509","0.0006","90","","90","","90","","647.42","0.08","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Al25.8 Au7 Ti Yb3 -","- Al25.808 Au7.035 Ti Yb3 -","- Al25.808 Au7.035 Ti Yb3 -","1","0.0208333","","Susan E. Latturner; Mercouri G. Kanatzidis","Formation of Multinary Intermetallics from Reduction of Perovskites by Aluminum Flux: M3Au6+xAl26Ti (M = Ca, Sr, Yb), a Stuffed Variant of the BaHg11 Type","Inorganic Chemistry","2004","43","","2","4","10.1021/ic034967q","","","0.71073","MoKα","","0.0376","0.0222","","","0.0463","0.0502","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310337","8.6631","0.0005","8.6631","0.0005","8.6631","0.0005","90","","90","","90","","650.16","0.06","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Al26 Au6.8 Ca3 Ti -","- Al25.88 Au6.919 Ca3 Ti -","- Al25.88 Au6.919 Ca3 Ti -","1","0.0208333","","Susan E. Latturner; Mercouri G. Kanatzidis","Formation of Multinary Intermetallics from Reduction of Perovskites by Aluminum Flux: M3Au6+xAl26Ti (M = Ca, Sr, Yb), a Stuffed Variant of the BaHg11 Type","Inorganic Chemistry","2004","43","","2","4","10.1021/ic034967q","","","0.71073","MoKα","","0.0448","0.0357","","","0.0809","0.0834","","","","","","1.172","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310338","8.7367","0.0006","8.7367","0.0006","8.7367","0.0006","90","","90","","90","","666.87","0.08","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Al25.5 Au7.5 Sr3 Ti -","- Al25.616 Au7.374 Sr3 Ti -","- Al25.616 Au7.374 Sr3 Ti -","1","0.0208333","","Susan E. Latturner; Mercouri G. Kanatzidis","Formation of Multinary Intermetallics from Reduction of Perovskites by Aluminum Flux: M3Au6+xAl26Ti (M = Ca, Sr, Yb), a Stuffed Variant of the BaHg11 Type","Inorganic Chemistry","2004","43","","2","4","10.1021/ic034967q","","","0.71073","MoKα","","0.0379","0.0237","","","0.0435","0.0465","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310339","6.0458","0.0015","15.064","0.004","5.5112","0.0014","90","","112.151","0.004","90","","464.9","0.2","293","2","293","2","","","","","","","hydrothermal reaction","5","C 1 2/m 1","-C 2y","12","manganese phosphate oxalate","","","- C2 H4 Mn2 O12 P2 -","- C2 H4 Mn2 O12 P2 -","- C4 H8 Mn4 O24 P4 -","2","0.25","","Zoe A. D. Lethbridge; Martin J. Smith; Satish K. Tiwary; Andrew Harrison; Philip Lightfoot","Synthesis of Hybrid Framework Materials under ""Dry"" Hydrothermal Conditions: Crystal Structure and Magnetic Properties of Mn2(H2PO4)2(C2O4)","Inorganic Chemistry","2004","43","","11","13","10.1021/ic0349712","","","0.71073","MoKα","","0.0237","0.0232","","0.0609","0.0606","","","","1.037","1.05","1.05","","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310340","11.4924","0.0004","12.4571","0.0004","16.5064","0.0006","83.056","0.0012","74.9371","0.0012","81.8891","0.0012","2250.28","0.14","98","","98","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl2 Mn2 N8 O14 -","- C39.6 H42 Cl2 Mn2 N7.8 O14 -","- C79.2 H84 Cl4 Mn4 N15.6 O28 -","2","1","","Cristina Cañada-Vilalta; William E. Streib; John C. Huffman; Ted A. O'Brien; Ernest R. Davidson; George Christou","Polynuclear Manganese Complexes with the Dicarboxylate Ligand m-Phenylenedipropionate: A Hexanuclear Mixed-Valence (3MnIII, 3MnIV) Complex","Inorganic Chemistry","2004","43","","101","115","10.1021/ic034973m","","","0.71073","MoKα","","","0.0486","","","","0.0506","","","","","","1.9855","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310341","16.099","0.004","13.216","0.002","24.497","0.005","90","","96.748","0.004","90","","5176","1.8","117","2","117","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H51 Cl Mn3 N3 O17 -","- C51 H51 Cl Mn3 N3 O17 -","- C204 H204 Cl4 Mn12 N12 O68 -","4","1","","Cristina Cañada-Vilalta; William E. Streib; John C. Huffman; Ted A. O'Brien; Ernest R. Davidson; George Christou","Polynuclear Manganese Complexes with the Dicarboxylate Ligand m-Phenylenedipropionate: A Hexanuclear Mixed-Valence (3MnIII, 3MnIV) Complex","Inorganic Chemistry","2004","43","","101","115","10.1021/ic034973m","","","0.71073","MoKα","","","0.0349","","","","0.0293","","","","","","0.6111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310342","16.6348","0.0004","32.4251","0.0008","20.6235","0.0005","90","","111.83","","90","","10326.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H57 Mn3 N3 O13 -","- C57 H57 Mn3 N3 O13 -","- C456 H456 Mn24 N24 O104 -","8","2","","Cristina Cañada-Vilalta; William E. Streib; John C. Huffman; Ted A. O'Brien; Ernest R. Davidson; George Christou","Polynuclear Manganese Complexes with the Dicarboxylate Ligand m-Phenylenedipropionate: A Hexanuclear Mixed-Valence (3MnIII, 3MnIV) Complex","Inorganic Chemistry","2004","43","","101","115","10.1021/ic034973m","","","0.71073","MoKα","","","0.0336","","","","0.039","","","","","","0.6741","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310343","16.9056","0.0006","24.5551","0.0008","18.9945","0.0007","90","","90.028","0.001","90","","7885","0.5","112","2","112","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H70.5 Cl Mn6 N9.5 O23 -","- C73 H70.5 Cl Mn6 N9.5 O23 -","- C292 H282 Cl4 Mn24 N38 O92 -","4","2","","Cristina Cañada-Vilalta; William E. Streib; John C. Huffman; Ted A. O'Brien; Ernest R. Davidson; George Christou","Polynuclear Manganese Complexes with the Dicarboxylate Ligand m-Phenylenedipropionate: A Hexanuclear Mixed-Valence (3MnIII, 3MnIV) Complex","Inorganic Chemistry","2004","43","","101","115","10.1021/ic034973m","","","0.71073","MoKα","","0.1029","0.0674","","","0.1585","0.1847","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310344","18.0519","0.0013","10.4941","0.0008","38.06","0.003","90","","90.499","0.001","90","","7209.8","0.9","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 B N P -","- C44 H49 B N P -","- C352 H392 B8 N8 P8 -","8","2","","Christine M. Thomas; Jonas C. Peters","Coordinating Anions: (Phosphino)tetraphenylborate Ligands as New Reagents for Synthesis","Inorganic Chemistry","2004","43","","8","10","10.1021/ic0350234","","","0.71073","MoKα","","0.1742","0.0903","","","0.1242","0.1309","","","","","","2.159","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310345","9.89","0.0008","20.1253","0.0016","16.797","0.0014","90","","92.835","0.002","90","","3339.2","0.5","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H53 B N P -","- C38 H53 B N P -","- C152 H212 B4 N4 P4 -","4","2","","Christine M. Thomas; Jonas C. Peters","Coordinating Anions: (Phosphino)tetraphenylborate Ligands as New Reagents for Synthesis","Inorganic Chemistry","2004","43","","8","10","10.1021/ic0350234","","","0.71073","MoKα","","0.1066","0.0659","","","0.0917","0.0973","","","","","","1.614","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310346","15.8487","0.001","15.6527","0.001","20.3787","0.0013","90","","102.639","0.001","90","","4932.9","0.5","98","2","98","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H77 B Br Cl N P Rh -","- C53 H77 B Br0.618 Cl0.382 N P Rh -","- C212 H308 B4 Br2.472 Cl1.528 N4 P4 Rh4 -","4","1","","Christine M. Thomas; Jonas C. Peters","Coordinating Anions: (Phosphino)tetraphenylborate Ligands as New Reagents for Synthesis","Inorganic Chemistry","2004","43","","8","10","10.1021/ic0350234","","","0.71073","MoKα","","0.0945","0.0432","","","0.0646","0.0705","","","","","","1.551","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310347","10.1511","0.0018","17.534","0.003","24.912","0.004","76.949","0.003","85.774","0.003","83.253","0.003","4284.5","1.3","98","2","98","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H122 B2 Br N3 O P2 Pt -","- C102 H122 B2 Br N3 O P2 Pt -","- C204 H244 B4 Br2 N6 O2 P4 Pt2 -","2","1","","Christine M. Thomas; Jonas C. Peters","Coordinating Anions: (Phosphino)tetraphenylborate Ligands as New Reagents for Synthesis","Inorganic Chemistry","2004","43","","8","10","10.1021/ic0350234","","","0.71073","MoKα","","0.0535","0.0413","","","0.0947","0.0992","","","","","","1.103","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310348","9.168","0.009","10.344","0.01","13.087","0.005","91.34","0.06","96.76","0.06","111.68","0.06","1142.3","1.7","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H22 Cl6 Cu3 N6 O12 -","- C48 H22 Cl6 Cu3 N6 O12 -","- C48 H22 Cl6 Cu3 N6 O12 -","1","0.5","","Mitsuhiro Kawahara; Md. Khayrul Kabir; Koichi Yamada; Keiichi Adachi; Hitoshi Kumagai; Yasuo Narumi; Koichi Kindo; Susumu Kitagawa; Satoshi Kawata","Module-Based Assembly of Copper(II) Chloranilate Compounds: Syntheses, Crystal Structures, and Magnetic Properties of {[Cu2(CA)(terpy)2][Cu(CA)2]}n and {[Cu2(CA)(terpy)2(dmso)2][Cu(CA)2(dmso)2](EtOH)}n (H2CA = Chloranilic Acid, terpy = 2,2':6',2''-Terpyridine, dmso = Dimethyl Sulfoxide)","Inorganic Chemistry","2004","43","","92","100","10.1021/ic035044y","","","0.71069","MoKα","","0.2292","0.0628","","","0.1372","0.1878","","","","","","1.013","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310349","8.418","0.003","13.341","0.005","15.286","0.005","90.802","0.009","99.959","0.012","96.043","0.012","1680.5","1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H52 Cl6 Cu3 N6 O17 S4 -","- C58 H52 Cl6 Cu3 N6 O17 S4 -","- C58 H52 Cl6 Cu3 N6 O17 S4 -","1","0.5","","Mitsuhiro Kawahara; Md. Khayrul Kabir; Koichi Yamada; Keiichi Adachi; Hitoshi Kumagai; Yasuo Narumi; Koichi Kindo; Susumu Kitagawa; Satoshi Kawata","Module-Based Assembly of Copper(II) Chloranilate Compounds: Syntheses, Crystal Structures, and Magnetic Properties of {[Cu2(CA)(terpy)2][Cu(CA)2]}n and {[Cu2(CA)(terpy)2(dmso)2][Cu(CA)2(dmso)2](EtOH)}n (H2CA = Chloranilic Acid, terpy = 2,2':6',2''-Terpyridine, dmso = Dimethyl Sulfoxide)","Inorganic Chemistry","2004","43","","92","100","10.1021/ic035044y","","","0.71069","MoKα","","0.0761","0.0639","","","0.174","0.1831","","","","","","1.024","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310350","12.588","0.004","12.147","0.004","22.353","0.007","90","","99.518","0.006","90","","3370.9","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ti(NMe2)(tpa)","","","- C17 H21 N5 Ti -","- C17 H18 N5 Ti -","- C136 H144 N40 Ti8 -","8","2","","Yanhui Shi; Changsheng Cao; Aaron L. Odom","Synthesis and Group 4 Complexes of Tris(pyrrolyl-α-methyl)amine","Inorganic Chemistry","2004","43","","275","281","10.1021/ic035049v","","","0.71073","MoKα","","0.1662","0.0611","","","0.1439","0.1757","","","","","","0.865","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310351","10.728","0.003","10.672","0.003","17.655","0.004","90","","95.078","0.004","90","","2013.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ti(2-iminoimidazolinide)(tpa)","","","- C20 H25 N7 Ti -","- C20 H25 N7 Ti -","- C80 H100 N28 Ti4 -","4","1","","Yanhui Shi; Changsheng Cao; Aaron L. Odom","Synthesis and Group 4 Complexes of Tris(pyrrolyl-α-methyl)amine","Inorganic Chemistry","2004","43","","275","281","10.1021/ic035049v","","","0.71073","MoKα","","0.0661","0.0419","","","0.0879","0.0956","","","","","","1.033","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310352","8.5527","0.0018","23.37","0.005","20.101","0.004","90","","99.27","0.004","90","","3965.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zr(But-bpy)(NMe2)(tpa","","","- C37 H49 Cl4 N7 Zr -","- C37 H49 Cl4 N7 Zr -","- C148 H196 Cl16 N28 Zr4 -","4","1","","Yanhui Shi; Changsheng Cao; Aaron L. Odom","Synthesis and Group 4 Complexes of Tris(pyrrolyl-α-methyl)amine","Inorganic Chemistry","2004","43","","275","281","10.1021/ic035049v","","","0.71073","MoKα","","0.1391","0.0623","","","0.1557","0.1926","","","","","","1","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310353","12.468","0.003","15.019","0.003","13.703","0.003","90","","107.116","0.003","90","","2452.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ZrCl(NHMe2)2(tpa)","","","- C20 H29 Cl3 N6 Zr -","- C20 H29 Cl3 N6 Zr -","- C80 H116 Cl12 N24 Zr4 -","4","1","","Yanhui Shi; Changsheng Cao; Aaron L. Odom","Synthesis and Group 4 Complexes of Tris(pyrrolyl-α-methyl)amine","Inorganic Chemistry","2004","43","","275","281","10.1021/ic035049v","","","0.71073","MoKα","","0.0459","0.0372","","","0.0923","0.0974","","","","","","1.04","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310354","11.9268","0.0002","9.9789","0.0002","11.8599","0.0002","90","","91.414","0.001","90","","1411.09","0.04","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl4 N2 O Pt -","- C11 H8 Cl4 N2 O Pt -","- C44 H32 Cl16 N8 O4 Pt4 -","4","1","","Katherine N. Crowder; Stephanie J. Garcia; Rebekah L. Burr; J. Micah North; Mike H. Wilson; Brian L. Conley; Phillip E. Fanwick; Peter S. White; Karl D. Sienerth; Robert M. Granger","Synthesis of Pt(dpk)Cl4 and the Reversible Hydration to Pt(dpk-O-OH)Cl3.H-phenCl: X-ray, Spectroscopic, and Electrochemical Characterization","Inorganic Chemistry","2004","43","","72","78","10.1021/ic035102f","","","0.71073","MolybdenumKα","","0.028","0.02","","0.025","0.023","","","","","1.28","1.28","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310355","17.4862","0.001","22.3071","0.0012","35.1195","0.0018","90","","95.898","0.001","90","","13626.4","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- H84 K Mn6 Na16 O136 P3 W24 -","- K Mn6 Na16 O136 P3 W24 -","- K4 Mn24 Na64 O544 P12 W96 -","4","1","","Michelle D. Ritorto; Travis M. Anderson; Wade A. Neiwert; Craig L. Hill","Decomposition of A-Type Sandwiches. Synthesis and Characterization of New Polyoxometalates Incorporating Multiple d-Electron-Centered Units","Inorganic Chemistry","2004","43","","44","49","10.1021/ic035115t","","","0.71073","MoKα","","0.1409","0.0619","","","0.1008","0.1106","","","","","","1.02","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310356","13.1585","0.0016","21.06","0.003","22.891","0.003","79.787","0.002","85.57","0.002","89.225","0.002","6224.3","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- Co6 H21 K5 Na3 O117 P3 W24 -","- Co6 K5 Na3 O117 P3 W24 -","- Co12 K10 Na6 O234 P6 W48 -","2","1","","Michelle D. Ritorto; Travis M. Anderson; Wade A. Neiwert; Craig L. Hill","Decomposition of A-Type Sandwiches. Synthesis and Characterization of New Polyoxometalates Incorporating Multiple d-Electron-Centered Units","Inorganic Chemistry","2004","43","","44","49","10.1021/ic035115t","","","0.71073","MoKα","","0.1698","0.1275","","","0.2842","0.3082","","","","","","1.202","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310357","8.5337","0.0008","10.7463","0.0009","11.2476","0.001","74.684","0.001","79.284","0.001","67.012","0.001","911.84","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Lead tetrakis(imidazolyl)borate nitrate","Lead tetrakis(imidazolyl)borate nitrate","","- C12 H14.65 B N9 O4.32 Pb -","- C12 H14.646 B N9 O4.323 Pb -","- C24 H29.292 B2 N18 O8.646 Pb2 -","2","1","","Barton H. Hamilton; Kathryn A. Kelly; Todd A. Wagler; Matthew P. Espe; Christopher J. Ziegler","Lead Tetrakis(imidazolyl)borate Solids: Anion Exchange, Solvent Intercalation, and Self Assembly of an Organic Anion","Inorganic Chemistry","2004","43","","50","56","10.1021/ic035117d","","","0.71073","MoKα","","0.0371","0.0316","","","0.0702","0.0721","","","","","","1.075","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310358","8.5459","0.0016","10.0336","0.0019","10.965","0.002","102.07","0.003","104.408","0.003","103.875","0.003","847.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Lead tetrakis(imidazolyl)borate iodide","","- C12 H12 B I N8 Pb -","- C12 H12 B I N8 Pb -","- C24 H24 B2 I2 N16 Pb2 -","2","1","","Barton H. Hamilton; Kathryn A. Kelly; Todd A. Wagler; Matthew P. Espe; Christopher J. Ziegler","Lead Tetrakis(imidazolyl)borate Solids: Anion Exchange, Solvent Intercalation, and Self Assembly of an Organic Anion","Inorganic Chemistry","2004","43","","50","56","10.1021/ic035117d","","","0.71073","MoKα","","0.0511","0.0434","","","0.0964","0.1","","","","","","1.045","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310359","8.6848","0.001","8.7774","0.001","14.1567","0.0016","80.382","0.002","81.598","0.002","78.86","0.002","1036.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","lead tetrakis(imidazolyl)borate benzoate","","- C19 H18 B N8 O2.5 Pb -","- C19 H17 B N8 O2.5 Pb -","- C38 H34 B2 N16 O5 Pb2 -","2","1","","Barton H. Hamilton; Kathryn A. Kelly; Todd A. Wagler; Matthew P. Espe; Christopher J. Ziegler","Lead Tetrakis(imidazolyl)borate Solids: Anion Exchange, Solvent Intercalation, and Self Assembly of an Organic Anion","Inorganic Chemistry","2004","43","","50","56","10.1021/ic035117d","","","0.71073","MoKα","","0.0275","0.0257","","","0.0623","0.064","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310360","10.7098","0.0001","7.0356","0.0001","10.9253","0.0002","90","","119.668","0.01","90","","715.3","0.07","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Na2 O4 Ru -","- Na2 O4 Ru -","- Na16 O32 Ru8 -","8","2","","Masahiro Shikano; Reinhard K. Kremer; Martin Ahrens; H.-J. Koo; M.-H. Whangbo; Jacques Darriet","Synthesis and Characterization of a Magnetic Semiconductor Na2RuO4 Containing One-Dimensional Chains of Ru6+","Inorganic Chemistry","2004","43","","5","7","10.1021/ic035191w","","","0.71069","MoKα","","0.0437","0.0437","","","0.0853","0.0853","","","","1.56","1.56","1.56","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4310361","10.2958","0.0002","10.5646","0.0003","16.7828","0.0005","102.178","0.005","92.441","0.005","97.38","0.005","1765.04","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 Cl2 N5 Ni -","- C45 H29 Cl2 N5 Ni -","- C90 H58 Cl4 N10 Ni2 -","2","1","","Sébastien Richeter; Christophe Jeandon; Jean-Paul Gisselbrecht; Roland Graff; Romain Ruppert; Henry J. Callot","Synthesis of New Porphyrins with Peripheral Conjugated Chelates and Their Use for the Preparation of Porphyrin Dimers Linked by Metal Ions","Inorganic Chemistry","2004","43","","251","263","10.1021/ic035203d","","","0.71073","Mo-Kα","","0.101","0.068","","0.145","","0.086","","","2.114","","","1.248","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4310362","22.5313","0.0003","9.6798","0.0002","17.6195","0.0006","90","","107.796","0.005","90","","3658.91","0.18","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H58 Cl2 N10 Ni2 O3 -","- C91 H58 Cl2 N10 Ni2 O3 -","- C182 H116 Cl4 N20 Ni4 O6 -","2","0.5","","Sébastien Richeter; Christophe Jeandon; Jean-Paul Gisselbrecht; Roland Graff; Romain Ruppert; Henry J. Callot","Synthesis of New Porphyrins with Peripheral Conjugated Chelates and Their Use for the Preparation of Porphyrin Dimers Linked by Metal Ions","Inorganic Chemistry","2004","43","","251","263","10.1021/ic035203d","","","0.71073","Mo-Kα","","0.111","0.052","","0.221","","0.07","","","3.743","","","1.039","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4310363","8.232","0.0011","8.7139","0.0014","19.097","0.002","100.346","0.012","95.19","0.01","115.117","0.013","1198.6","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl4 N4 O2 Pt -","- C23 H18 Cl4 N4 O2 Pt -","- C46 H36 Cl8 N8 O4 Pt2 -","2","1","","Katherine N. Crowder; Stephanie J. Garcia; Rebekah L. Burr; J. Micah North; Mike H. Wilson; Brian L. Conley; Phillip E. Fanwick; Peter S. White; Karl D. Sienerth; Robert M. Granger","Synthesis of Pt(dpk)Cl4 and the Reversible Hydration to Pt(dpk-O-OH)Cl3.H-phenCl: X-ray, Spectroscopic, and Electrochemical Characterization","Inorganic Chemistry","2004","43","","72","78","10.1021/ic035102f","","","0.71073","Mo-Kα","","0.044","0.031","","","0.038","","","","","1.19","1.19","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310364","9.641","0.003","22.435","0.004","16.989","0.003","90","","93.37","0.02","90","","3668.3","1.5","298.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N5 Ni O S10 -","- C31 H27 N5 Ni O S10 -","- C124 H108 N20 Ni4 O4 S40 -","4","1","","K. Mukai; N. Senba; T. Hatanaka; H. Minakuchi; K. Ohara; M. Taniguchi; Y. Misaki; Y. Hosokoshi; K. Inoue; N. Azuma","Molecular Paramagnetic Semiconductor: Crystal Structures and Magnetic and Conducting Properties of the Ni(dmit)2 Salts of 6-Oxoverdazyl Radical Cations (dmit = 1,3-Dithiol-2-thione-4,5-dithiolate)","Inorganic Chemistry","2004","43","","566","576","10.1021/ic030068q","","","0.7107","MoKα","","","0.0866","","","","0.1878","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310365","13.281","0.003","13.93","0.005","10.618","0.004","109.72","0.03","95.72","0.02","96.19","0.02","1818.9","1.1","298.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 N5 Ni O S10 -","- C30 H25 N5 Ni O S10 -","- C60 H50 N10 Ni2 O2 S20 -","2","1","","K. Mukai; N. Senba; T. Hatanaka; H. Minakuchi; K. Ohara; M. Taniguchi; Y. Misaki; Y. Hosokoshi; K. Inoue; N. Azuma","Molecular Paramagnetic Semiconductor: Crystal Structures and Magnetic and Conducting Properties of the Ni(dmit)2 Salts of 6-Oxoverdazyl Radical Cations (dmit = 1,3-Dithiol-2-thione-4,5-dithiolate)","Inorganic Chemistry","2004","43","","566","576","10.1021/ic030068q","","","0.7107","MoKα","","","0.0585","","","","0.1555","","","","","","1.179","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310366","12.533","0.001","15.012","0.002","9.983","0.001","97.632","0.01","107.299","0.008","89.89","0.01","1776","0.3","298.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H49 N11 Ni2 O2 S20 -","- C60 H49 N11 Ni2 O2 S20 -","- C60 H49 N11 Ni2 O2 S20 -","1","0.5","","K. Mukai; N. Senba; T. Hatanaka; H. Minakuchi; K. Ohara; M. Taniguchi; Y. Misaki; Y. Hosokoshi; K. Inoue; N. Azuma","Molecular Paramagnetic Semiconductor: Crystal Structures and Magnetic and Conducting Properties of the Ni(dmit)2 Salts of 6-Oxoverdazyl Radical Cations (dmit = 1,3-Dithiol-2-thione-4,5-dithiolate)","Inorganic Chemistry","2004","43","","566","576","10.1021/ic030068q","","","1.5418","CuKα","","","0.0414","","","","0.1423","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310367","13.114","0.004","11.332","0.003","18.437","0.007","90","","108.67","0.03","90","","2595.7","1.5","298.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 I N5 O -","- C23 H24 I N5 O1.5 -","- C92 H96 I4 N20 O6 -","4","1","","K. Mukai; N. Senba; T. Hatanaka; H. Minakuchi; K. Ohara; M. Taniguchi; Y. Misaki; Y. Hosokoshi; K. Inoue; N. Azuma","Molecular Paramagnetic Semiconductor: Crystal Structures and Magnetic and Conducting Properties of the Ni(dmit)2 Salts of 6-Oxoverdazyl Radical Cations (dmit = 1,3-Dithiol-2-thione-4,5-dithiolate)","Inorganic Chemistry","2004","43","","566","576","10.1021/ic030068q","","","0.7107","MoKα","","","0.0688","","","","0.2122","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310368","21.9748","0.0003","9.3097","0.0001","16.8162","0.0002","90","","90","","90","","3440.24","0.07","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tetrakis(tetrahydrofuran)europium bis(cyclooctane-1,5-diyl dihydridoborate)","","","- C32 H64 B2 Eu O4 -","- C32 H64 B2 Eu O4 -","- C128 H256 B8 Eu4 O16 -","4","1","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates: An Europium(II) Complex with an Agostic Interaction","Inorganic Chemistry","2004","43","","692","698","10.1021/ic030249s","","","0.71073","MoKα","","0.043","0.0314","","","0.0654","0.0702","","","","","","1.148","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310369","9.8616","0.001","10.2266","0.001","10.476","0.001","69.873","0.01","76.629","0.01","66.116","0.01","901.83","0.18","270","2","270","2","","","","","","","","5","P -1","-P 1","2","Tetrakis(tetrahydrofuran)ytterbium bis(cyclooctane-1,5-diyl dihydridoborate)","","","- C32 H64 B2 O4 Yb -","- C32 H32 B2 O4 Yb -","- C32 H32 B2 O4 Yb -","1","0.5","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates: An Europium(II) Complex with an Agostic Interaction","Inorganic Chemistry","2004","43","","692","698","10.1021/ic030249s","","","0.71073","MoKα","","0.0486","0.0445","","","0.1079","0.1101","","","","","","1.047","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310370","13.7083","0.001","14.9455","0.001","17.1765","0.001","81.005","0.01","88.321","0.01","88.539","0.01","3473.5","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H61 B2 F30 O7 Yb -","- C64 H26 B2 F30 O7 Yb -","- C128 H52 B4 F60 O14 Yb2 -","2","1","","Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore","Europium(II) and Ytterbium(II) Cyclic Organohydroborates: An Europium(II) Complex with an Agostic Interaction","Inorganic Chemistry","2004","43","","692","698","10.1021/ic030249s","","","0.71073","MoKα","","0.0688","0.0478","","","0.1267","0.14","","","","","","1.076","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310371","11.7095","0.001","8.7214","0.0007","13.8253","0.0011","90","","106.942","0.002","90","","1350.61","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 F5 N2 Pd -","- C9 H19 F5 N2 Pd -","- C36 H76 F20 N8 Pd4 -","4","1","","Russell P. Hughes; Monique A. Meyer; Mark D. Tawa; Antony J. Ward; Alex Williamson; Arnold L. Rheingold; Lev N. Zakharov","Does α-Fluorination Affect the Structural trans-Influence and Kinetic trans-Effect of an Alkyl Ligand? Molecular Structures of Pd(TMEDA)(CH3)(RF) and a Kinetic Study of the trans to cis Isomerization of Pt(TMEDA)(CH3)2I(RF) [RF= CF2CF3, CFHCF3, CH2CF3]","Inorganic Chemistry","2004","43","","747","756","10.1021/ic030251j","","","0.71073","MoKα","","0.0419","0.0346","","","0.0947","0.0984","","","","","","1.128","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310372","8.5809","0.0006","11.1727","0.0007","13.9548","0.0009","90","","104.24","0.001","90","","1296.76","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H20 F4 N2 Pd -","- C9 H20 F4 N2 Pd -","- C36 H80 F16 N8 Pd4 -","4","1","","Russell P. Hughes; Monique A. Meyer; Mark D. Tawa; Antony J. Ward; Alex Williamson; Arnold L. Rheingold; Lev N. Zakharov","Does α-Fluorination Affect the Structural trans-Influence and Kinetic trans-Effect of an Alkyl Ligand? Molecular Structures of Pd(TMEDA)(CH3)(RF) and a Kinetic Study of the trans to cis Isomerization of Pt(TMEDA)(CH3)2I(RF) [RF= CF2CF3, CFHCF3, CH2CF3]","Inorganic Chemistry","2004","43","","747","756","10.1021/ic030251j","","","0.71073","MoKα","","0.0301","0.0282","","","0.0728","0.0736","","","","","","1.123","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310373","8.4893","0.0008","11.1928","0.0011","13.789","0.0013","90","","105.053","0.002","90","","1265.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 F3 N2 Pd -","- C9 H21 F3 N2 Pd -","- C36 H84 F12 N8 Pd4 -","4","1","","Russell P. Hughes; Monique A. Meyer; Mark D. Tawa; Antony J. Ward; Alex Williamson; Arnold L. Rheingold; Lev N. Zakharov","Does α-Fluorination Affect the Structural trans-Influence and Kinetic trans-Effect of an Alkyl Ligand? Molecular Structures of Pd(TMEDA)(CH3)(RF) and a Kinetic Study of the trans to cis Isomerization of Pt(TMEDA)(CH3)2I(RF) [RF= CF2CF3, CFHCF3, CH2CF3]","Inorganic Chemistry","2004","43","","747","756","10.1021/ic030251j","","","0.71073","MoKα","","0.0311","0.0288","","","0.0758","0.0772","","","","","","1.014","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310374","7.6782","0.0003","14.1324","0.0006","14.3382","0.0006","90","","97.661","0.001","90","","1541.97","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 F4 I N2 Pt -","- C10 H23 F4 I N2 Pt -","- C40 H92 F16 I4 N8 Pt4 -","4","1","","Russell P. Hughes; Monique A. Meyer; Mark D. Tawa; Antony J. Ward; Alex Williamson; Arnold L. Rheingold; Lev N. Zakharov","Does α-Fluorination Affect the Structural trans-Influence and Kinetic trans-Effect of an Alkyl Ligand? Molecular Structures of Pd(TMEDA)(CH3)(RF) and a Kinetic Study of the trans to cis Isomerization of Pt(TMEDA)(CH3)2I(RF) [RF= CF2CF3, CFHCF3, CH2CF3]","Inorganic Chemistry","2004","43","","747","756","10.1021/ic030251j","","","0.71073","MoKα","","0.0293","0.0275","","","0.0761","0.0769","","","","","","1.281","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310375","13.9073","0.0009","14.3578","0.0009","15.9653","0.0011","90","","90","","90","","3187.9","0.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H23 F4 I N2 Pt -","- C10 H23 F4 I N2 Pt -","- C80 H184 F32 I8 N16 Pt8 -","8","1","","Russell P. Hughes; Monique A. Meyer; Mark D. Tawa; Antony J. Ward; Alex Williamson; Arnold L. Rheingold; Lev N. Zakharov","Does α-Fluorination Affect the Structural trans-Influence and Kinetic trans-Effect of an Alkyl Ligand? Molecular Structures of Pd(TMEDA)(CH3)(RF) and a Kinetic Study of the trans to cis Isomerization of Pt(TMEDA)(CH3)2I(RF) [RF= CF2CF3, CFHCF3, CH2CF3]","Inorganic Chemistry","2004","43","","747","756","10.1021/ic030251j","","","0.71073","MoKα","","0.023","0.0218","","","0.0588","0.0597","","","","","","1.026","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310376","11.882","0.002","20.771","0.004","17.159","0.003","90","","99.818","0.004","90","","4172.8","1.3","193","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H106 B2 Fe6 Mo2 N30 S8 -","- C54 H106 B2 Fe6 Mo2 N30 S8 -","- C108 H212 B4 Fe12 Mo4 N60 S16 -","2","0.5","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.0656","0.0369","","","0.0597","0.0651","","","","","","0.881","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310377","10.692","0.0017","34.707","0.006","10.9322","0.0018","90","","92.902","0.004","90","","4051.6","1.2","293","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H50 B Fe3 Mo N17 S4 -","- C25 H49 B Fe3 Mo N17 S4 -","- C100 H196 B4 Fe12 Mo4 N68 S16 -","4","1","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.0886","0.0457","","","0.0973","0.1051","","","","","","0.957","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310378","12.333","0.003","13.935","0.003","15.016","0.003","84.84","0.03","72.41","0.03","70.77","0.03","2322.6","1.1","193","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H103 B2 Fe6 Mo2 N16 S12 -","- C68 H99 B2 Fe6 Mo2 N16 S12 -","- C68 H99 B2 Fe6 Mo2 N16 S12 -","1","0.5","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.1365","0.0563","","","0.1226","0.1422","","","","","","0.81","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310379","18.114","0.003","17.997","0.003","27.898","0.004","90","","91.602","0.004","90","","9091","3","193","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H106.5 B2 Fe6 Mo2 N20.5 S11 -","- C65 H106.5 B2 Fe6 Mo2 N20.5 S11 -","- C260 H426 B8 Fe24 Mo8 N82 S44 -","4","1","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.1488","0.0583","","","0.1034","0.122","","","","","","0.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310380","14.938","0.004","17.094","0.004","18.6","0.005","79.331","0.005","78.884","0.005","64.905","0.005","4191.8","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.5 H93.75 B2 Fe6 Mo2 N18 S11 -","- C48.5 H86.6 B2 Fe6 Mo2 N16.75 S11 -","- C97 H173.2 B4 Fe12 Mo4 N33.5 S22 -","2","1","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.099","0.0531","","","0.1517","0.1684","","","","","","0.984","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310381","11.96","0.003","14.424","0.004","15.357","0.004","102.785","0.005","99.337","0.005","97.038","0.005","2514.6","1.1","193","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H119 B2 Fe6 Mo2 N27 S8 -","- C72 H116 B2 Fe6 Mo2 N27.02 S8 -","- C72 H116 B2 Fe6 Mo2 N27.02 S8 -","1","0.5","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.0626","0.0447","","","0.1248","0.1393","","","","","","1.049","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310382","28.932","0.008","20.688","0.006","31.443","0.009","90","","116.398","0.006","90","","16858","8","193","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C57 H131 B2 Fe6 Mo2 N17 O5 S8 -","- C55 H89 B2 Fe6 Mo2 N16 O6 S8 -","- C440 H712 B16 Fe48 Mo16 N128 O48 S64 -","8","1","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.1294","0.0799","","","0.2126","0.2323","","","","","","1.09","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310383","19.989","0.007","16.42","0.006","23.472","0.009","90","","112.549","0.008","90","","7115","5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H87 B2 Fe6 Mo2 N15 O4 S7 -","- C39 H72 B2 Fe6 Mo2 N14.5 O4 S7 -","- C156 H288 B8 Fe24 Mo8 N58 O16 S28 -","4","1","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.1232","0.0983","","","0.2625","0.2797","","","","","","1.089","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310384","15.359","0.003","19.81","0.004","11.806","0.002","90","","90","","90","","3592.1","1.2","193","2","273","2","","","","","","","","9","P b a m","-P 2 2ab","55","","","","- C42 H80 B2 Br4 Fe6 Mo2 N14 O2 S8 -","- C42 H40 B2 Br4 Fe6 Mo2 N14 O2 S8 -","- C84 H80 B4 Br8 Fe12 Mo4 N28 O4 S16 -","2","0.25","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.0705","0.0419","","","0.0976","0.1095","","","","","","1.067","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310385","15.07","0.003","19.824","0.004","23.695","0.004","90","","90","","90","","7079","2","193","2","273","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C42 H72 B2 Cl4 Fe6 Mo2 N18 S8 -","- C39 H20 B2 Cl4 Fe6 Mo2 N17 S8 -","- C156 H80 B8 Cl16 Fe24 Mo8 N68 S32 -","4","0.25","","Yugen Zhang; R. H. Holm","Structural Conversions of Molybdenum-Iron-Sulfur Edge-Bridged Double Cubanes and PN-Type Clusters Topologically Related to the Nitrogenase P-Cluster","Inorganic Chemistry","2004","43","","674","682","10.1021/ic030259t","","","0.71073","MoKα","","0.0494","0.041","","","0.1185","0.1211","","","","","","1.18","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310386","21.979","0.002","10.924","0.001","34.406","0.002","90","","90.81","0.01","90","","8260","1.2","20","2","20","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C88 H144 Co16 -","- C88 Co8 Y144 -","- C352 Co32 Y576 -","4","1","","Robert Bau; Nam N. Ho; Joerg J. Schneider; Sax A. Mason; Garry J. McIntyre","Neutron Diffraction Study of [H4Co4(C5Me4Et)4], a Tetrahedral Metal Cluster Complex with Four Face-Bridging Hydride Ligands","Inorganic Chemistry","2004","43","","555","558","10.1021/ic030275q","","neutron","1.3201","neutronbeam","","0.1434","0.0994","","","0.233","0.2568","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310387","10.5486","0.0009","17.1174","0.0014","16.9328","0.0015","90","","96.215","0.004","90","","3039.5","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl3 O4 Ta -","- C28 H40 Cl3 O4 Ta -","- C112 H160 Cl12 O16 Ta4 -","4","1","","Jeffrey W. Anthis; Igor Filippov; David E. Wigley","A New Route to Chelating Bis(aryloxide) Ligands and Their Applications to Tantalum and Titanium Organometallic Compounds","Inorganic Chemistry","2004","43","","716","724","10.1021/ic030300s","","","0.71073","MoKα","","0.0844","0.0698","","","0.1788","0.1873","","","","","","1.011","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310388","10.2826","0.0003","16.6334","0.0006","20.0078","0.0007","90","","90.702","0.001","90","","3421.8","0.2","443","2","443","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 O2 Ta -","- C41 H45 O2 Ta -","- C164 H180 O8 Ta4 -","4","1","","Jeffrey W. Anthis; Igor Filippov; David E. Wigley","A New Route to Chelating Bis(aryloxide) Ligands and Their Applications to Tantalum and Titanium Organometallic Compounds","Inorganic Chemistry","2004","43","","716","724","10.1021/ic030300s","","","0.71073","MoKα","","0.0432","0.0259","","","0.0462","0.0492","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310389","32.8492","0.0014","11.9601","0.0003","22.6001","0.0007","90","","108.963","0.0008","90","","8397.2","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H58 B Co2 N12 O23 P4 V3 -","- C12 H50 B Co2 N12 O27 P4 V3 -","- C96 H400 B8 Co16 N96 O216 P32 V24 -","8","1","","Yu Wang; Jihong Yu; Qinhe Pan; Yu Du; Yongchun Zou; Ruren Xu","Synthesis and Structural Characterization of 0D Vanadium Borophosphate [Co(en)3]2[V3P3BO19][H2PO4].4H2O and 1D Vanadium Oxides [Co(en)3][V3O9].H2O and [Co(dien)2][V3O9].H2O Templated by Cobalt Complexes: Cooperative Organization of the Complexes and the Inorganic Networks","Inorganic Chemistry","2004","43","","559","565","10.1021/ic034241u","","","0.71073","MoKα","","0.0937","0.0514","","","0.1429","0.1668","","","","","","0.954","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310390","8.1587","0.0016","12.675","0.003","18.046","0.004","90","","90","","90","","1866.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H26 Co N6 O10 V3 -","- C6 H24 Co N6 O10 V3 -","- C24 H96 Co4 N24 O40 V12 -","4","1","","Yu Wang; Jihong Yu; Qinhe Pan; Yu Du; Yongchun Zou; Ruren Xu","Synthesis and Structural Characterization of 0D Vanadium Borophosphate [Co(en)3]2[V3P3BO19][H2PO4].4H2O and 1D Vanadium Oxides [Co(en)3][V3O9].H2O and [Co(dien)2][V3O9].H2O Templated by Cobalt Complexes: Cooperative Organization of the Complexes and the Inorganic Networks","Inorganic Chemistry","2004","43","","559","565","10.1021/ic034241u","","","0.71073","MoKα","","0.0363","0.0264","","","0.0503","0.0644","","","","","","0.891","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310391","16.1663","0.001","8.7028","0.0003","13.9773","0.0005","90","","103.134","0.0018","90","","1915.05","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H30 Co N6 O10 P0 V3 -","- C8 H26 Co N6 O10 V3 -","- C32 H104 Co4 N24 O40 V12 -","4","1","","Yu Wang; Jihong Yu; Qinhe Pan; Yu Du; Yongchun Zou; Ruren Xu","Synthesis and Structural Characterization of 0D Vanadium Borophosphate [Co(en)3]2[V3P3BO19][H2PO4].4H2O and 1D Vanadium Oxides [Co(en)3][V3O9].H2O and [Co(dien)2][V3O9].H2O Templated by Cobalt Complexes: Cooperative Organization of the Complexes and the Inorganic Networks","Inorganic Chemistry","2004","43","","559","565","10.1021/ic034241u","","","0.71073","MoKα","","0.1327","0.047","","","0.0601","0.0697","","","","","","0.837","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310392","10.9443","0.0009","15.8253","0.0013","8.4201","0.0007","90","","108.898","0.002","90","","1379.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FJ-12","","","- C10 H11 Ga N2 O8 P2 -","- C10 H11 Ga N2 O8 P2 -","- C40 H44 Ga4 N8 O32 P8 -","4","1","","Zhi-En Lin; Jie Zhang; Yan-Qiong Sun; Guo-Yu Yang","Ga(2,2'-bipy)(HPO4)(H2PO4): First Layered Inorganic-Organic Hybrid Gallium Phosphate with a Neutral Framework","Inorganic Chemistry","2004","43","","797","801","10.1021/ic034336w","","","0.71073","MoKα","","","0.0752","","","0.1477","0.1783","","","","","","1.124","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310393","7.1801","0.0005","8.698","0.0006","8.8516","0.0006","77.719","0.001","74.348","0.001","70.963","0.001","498.45","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cl2 Cu N O2 -","- C8 H8 Cl2 Cu N O2 -","- C16 H16 Cl4 Cu2 N2 O4 -","2","1","","Yong-Hua Li; Xi-Sen Wang; Hong Zhao; Rong-Xin Yuan; Jing Zhang; Ren-Gen Xiong; Xiao-Zeng You; Huang-Xian Ju; Zi-Ling Xue","Three Olefin Copper(I) Dimeric Complexes with 2-, 3-, and 4-Pyridylacrylic Acid and Their Electrochemical Properties","Inorganic Chemistry","2004","43","","712","715","10.1021/ic0343859","","","0.71073","MoKα","","0.0537","0.0405","","","0.0588","0.0601","","","","","","1.278","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310394","9.8845","0.0009","9.6189","0.0009","10.9299","0.001","90","","106.604","0.002","90","","995.86","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl2 Cu N O2 -","- C8 H8 Cl2 Cu N O2 -","- C32 H32 Cl8 Cu4 N4 O8 -","4","1","","Yong-Hua Li; Xi-Sen Wang; Hong Zhao; Rong-Xin Yuan; Jing Zhang; Ren-Gen Xiong; Xiao-Zeng You; Huang-Xian Ju; Zi-Ling Xue","Three Olefin Copper(I) Dimeric Complexes with 2-, 3-, and 4-Pyridylacrylic Acid and Their Electrochemical Properties","Inorganic Chemistry","2004","43","","712","715","10.1021/ic0343859","","","0.71073","MoKα","","0.0404","0.0334","","","0.0812","0.0834","","","","","","1.024","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310395","7.2107","0.0009","8.5682","0.0011","8.7294","0.0011","76.575","0.003","79.859","0.003","71.527","0.002","494.48","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cl2 Cu N O2 -","- C8 H8 Cl2 Cu N O2 -","- C16 H16 Cl4 Cu2 N2 O4 -","2","1","","Yong-Hua Li; Xi-Sen Wang; Hong Zhao; Rong-Xin Yuan; Jing Zhang; Ren-Gen Xiong; Xiao-Zeng You; Huang-Xian Ju; Zi-Ling Xue","Three Olefin Copper(I) Dimeric Complexes with 2-, 3-, and 4-Pyridylacrylic Acid and Their Electrochemical Properties","Inorganic Chemistry","2004","43","","712","715","10.1021/ic0343859","","","0.71073","MoKα","","0.0623","0.0375","","","0.0676","0.073","","","","","","0.75","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310396","11.6896","0.0002","11.6896","0.0002","9.2357","0.0003","90","","90","","90","","1262.03","0.05","","","295","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","bismut ammonium oxalate hydrate","","- C4 Bi N O11.7 -","- C2 Bi0.125 N0.125 O5.55 -","- C8 Bi0.5 N0.5 O22.2 -","4","0.125","","G. Vanhoyland; A. Le Bail; J. Mullens; L. C. Van Poucke","Characterization and structure determination of ammonium bismuth oxalate hydrate Bi(NH~4~)(C~2~O~4~)~2~.xH~2~O","Inorganic Chemistry","2004","43","","785","789","10.1021/ic034509h","powder diffraction","","","CuKα~1~1.54056","","","","","","","","","","","","","","","","","has coordinates","208203","2020-10-21","18:00:00",""
"4310397","11.5946","0.0018","22.246","0.004","15.35","0.002","90","","110.643","0.003","90","","3705.1","1","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H89 Cl6 Co3 N11 O4 -","- C68 H89 Cl6 Co3 N11 O4 -","- C136 H178 Cl12 Co6 N22 O8 -","2","1","","Shane G. Telfer; Tomohiro Sato; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Dinuclear Complexes of Chiral Tetradentate Pyridylimine Ligands: Diastereoselectivity, Positive Cooperativity, Anion Selectivity, Ligand Self-Sorting Based on Chirality, and Magnetism","Inorganic Chemistry","2004","43","","421","429","10.1021/ic034585k","","","0.71073","MoKα","","0.0645","0.0479","","","0.1021","0.1052","","","","","","0.881","","","","has coordinates,has disorder","179142","2020-10-21","18:00:00",""
"4310398","17.1236","0.001","9.3591","0.0005","21.3189","0.0011","90","","96.11","","90","","3397.2","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H37.5 Cl4.5 F3 N3 O5 Pt S -","- C27.5 H37.5 Cl4.5 F3 N3 O5 Pt S -","- C110 H150 Cl18 F12 N12 O20 Pt4 S4 -","4","1","","Hershel Jude; Jeanette A. Krause Bauer; William B. Connick","Tuning the Electronic Structures of Platinum(II) Complexes with a Cyclometalating Aryldiamine Ligand","Inorganic Chemistry","2004","43","","725","733","10.1021/ic0346329","","","0.71073","MoKα","","0.0293","0.021","","","0.0468","0.0486","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310399","9.7518","0.0006","12.0132","0.0008","12.6718","0.0009","114.19","0.002","100.745","0.003","103.545","0.002","1247.95","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 F3 N3 O3 Pt S -","- C23 H32 N3 Pt -","- C46 H64 N6 Pt2 -","2","1","","Hershel Jude; Jeanette A. Krause Bauer; William B. Connick","Tuning the Electronic Structures of Platinum(II) Complexes with a Cyclometalating Aryldiamine Ligand","Inorganic Chemistry","2004","43","","725","733","10.1021/ic0346329","","","0.71073","MoKα","","0.0289","0.0262","","","0.0704","0.0711","","","","","","1.122","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310400","15.55","0.002","9.7386","0.0011","18.965","0.003","90","","92.559","0.007","90","","2869.1","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 F3 N3 O3 Pt S -","- C30 H36 F3 N3 O3 Pt S -","- C120 H144 F12 N12 O12 Pt4 S4 -","4","1","","Hershel Jude; Jeanette A. Krause Bauer; William B. Connick","Tuning the Electronic Structures of Platinum(II) Complexes with a Cyclometalating Aryldiamine Ligand","Inorganic Chemistry","2004","43","","725","733","10.1021/ic0346329","","","0.71073","MoKα","","0.043","0.0273","","","0.0528","0.0566","","","","","","0.961","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310401","21.3316","0.0005","9.6526","0.0002","26.18","0.0006","90","","96.493","0.001","90","","5356","0.2","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H62 F6 N6 O6 Pt2 S2 -","- C48 H62 F6 N6 O6 Pt2 S2 -","- C192 H248 F24 N24 O24 Pt8 S8 -","4","0.5","","Hershel Jude; Jeanette A. Krause Bauer; William B. Connick","Tuning the Electronic Structures of Platinum(II) Complexes with a Cyclometalating Aryldiamine Ligand","Inorganic Chemistry","2004","43","","725","733","10.1021/ic0346329","","","0.71073","MoKα","","0.0758","0.0451","","","0.0776","0.086","","","","","","1.143","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310402","15.586","0.004","26.955","0.008","28.378","0.008","111.742","0.006","91.535","0.007","93.373","0.006","11040","5","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C92 H108 Co4 Cs F12 N17 P2 Ru6 S2 -","- C92 H108 Co4 Cs F12 N17 P2 Ru6 S2 -","- C368 H432 Co16 Cs4 F48 N68 P8 Ru24 S8 -","4","2","","Matthew L. Kuhlman; Thomas B. Rauchfuss","Hybrid Cluster-Cages Formed via Cyanometalate Condensation: Cs@Co4Ru6S2(CN)12, Co4Ru9S6(CN)9, and Rh4Ru9S6(CN)9 Frameworks","Inorganic Chemistry","2004","43","","430","435","10.1021/ic034745s","","","0.71073","MoKα","","0.2138","0.0821","","","0.1596","0.1944","","","","","","0.827","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4310403","12.1611","0.0006","13.8131","0.0007","14.9683","0.0008","104.754","0.001","98.505","0.001","113.624","0.001","2137.25","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49.5 H42.75 Cl Ir N2.25 O P2 -","- C50 H42 Cl Ir N2.5 O P2 -","- C100 H84 Cl2 Ir2 N5 O2 P4 -","2","1","","Rama Acharyya; Falguni Basuli; Ren-Zhang Wang; Thomas C. W. Mak; Samaresh Bhattacharya","Iridium(III) Complexes Formed by O-H and/Or C-H Activation of 2-(Arylazo)phenols","Inorganic Chemistry","2004","43","","704","711","10.1021/ic034785w","","","0.71073","MoKα","","0.0421","0.0289","","","0.0554","0.0598","","","","","","0.979","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310404","25.44","0.002","20.054","0.002","19.425","0.002","90","","112.239","0.003","90","","9172.9","1.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H39 Cl2 Ir N2 O P2 -","- C49 H36 Cl2 Ir N2 O P2 -","- C392 H288 Cl16 Ir8 N16 O8 P16 -","8","1","","Rama Acharyya; Falguni Basuli; Ren-Zhang Wang; Thomas C. W. Mak; Samaresh Bhattacharya","Iridium(III) Complexes Formed by O-H and/Or C-H Activation of 2-(Arylazo)phenols","Inorganic Chemistry","2004","43","","704","711","10.1021/ic034785w","","","0.71073","MoKα","","0.155","0.0638","","","0.1666","0.2052","","","","","","0.963","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310405","19.1548","0.0011","19.6711","0.0011","23.2453","0.0014","90","","90","","90","","8758.7","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H41 Cl2 Ir N2 O P2 -","- C49 H41 Cl2 Ir N2 O P2 -","- C392 H328 Cl16 Ir8 N16 O8 P16 -","8","1","","Rama Acharyya; Falguni Basuli; Ren-Zhang Wang; Thomas C. W. Mak; Samaresh Bhattacharya","Iridium(III) Complexes Formed by O-H and/Or C-H Activation of 2-(Arylazo)phenols","Inorganic Chemistry","2004","43","","704","711","10.1021/ic034785w","","","0.71073","MoKα","","0.1293","0.0398","","","0.0765","0.1041","","","","","","0.906","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310406","11.9489","0.0014","17.659","0.002","21.253","0.003","80.931","0.003","86.527","0.003","76.068","0.003","4297","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H40 Cl Ir N2 O P2 -","- C49 H40 Cl Ir N2 O P2 -","- C196 H160 Cl4 Ir4 N8 O4 P8 -","4","2","","Rama Acharyya; Falguni Basuli; Ren-Zhang Wang; Thomas C. W. Mak; Samaresh Bhattacharya","Iridium(III) Complexes Formed by O-H and/Or C-H Activation of 2-(Arylazo)phenols","Inorganic Chemistry","2004","43","","704","711","10.1021/ic034785w","","","0.71073","MoKα","","0.1577","0.0585","","","0.0923","0.1223","","","","","","0.885","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310407","13.185","0.003","14.59","0.003","16.885","0.004","104.219","0.004","91.572","0.004","107.907","0.004","2977.4","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H57 Cl F12 Fe2 N8 O3 P -","- C63.687 H42.061 Cl0.313 F12 Fe2 N8 O2.687 P -","- C127.374 H84.122 Cl0.626 F24 Fe4 N16 O5.374 P2 -","2","1","","Ian M. Wasser; Constantinus F. Martens; Claudio N. Verani; Eva Rentschler; Hong-wei Huang; Pierre Moënne-Loccoz; Lev N. Zakharov; Arnold L. Rheingold; Kenneth D. Karlin","Synthesis and Spectroscopy of μ-Oxo (O2-)-Bridged Heme/Non-heme Diiron Complexes: Models for the Active Site of Nitric Oxide Reductase","Inorganic Chemistry","2004","43","","651","662","10.1021/ic0348143","","","0.71073","MoKα","","0.1406","0.1007","","","0.2337","0.2526","","","","","","1.131","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310408","8.9767","0.001","15.1687","0.0018","5.3202","0.0006","90","","90","","90","","724.42","0.14","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- As2 F16 Mg Xe2 -","- As2 F16 Mg Xe2 -","- As4 F32 Mg2 Xe4 -","2","0.25","","Melita Tramšek; Primož Benkič; Boris Žemva","[Mg(XeF~2~)~n~](AsF~6~)~2~ (n = 4, 2): the first compounds of magnesium with XeF~2~","Inorganic Chemistry","2004","43","","699","703","10.1021/ic034826o","","","0.71069","MoKα","","0.0444","0.039","","","0.0753","0.0772","","","","","","1.142","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310409","8.698","0.015","14.517","0.015","15.344","0.016","90","","90","","90","","1937","4","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- As2 F20 Mg Xe4 -","- As2 F20 Mg Xe4 -","- As8 F80 Mg4 Xe16 -","4","1","","Melita Tramšek; Primož Benkič; Boris Žemva","[Mg(XeF~2~)~n~](AsF~6~)~2~ (n = 4, 2): the first compounds of magnesium with XeF~2~","Inorganic Chemistry","2004","43","","699","703","10.1021/ic034826o","","","0.71069","MoKα","","0.0557","0.0508","","","0.1098","0.1124","","","","","","1.162","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310410","15.792","0.002","17.579","0.003","7.915","0.001","90","","112.437","0.003","90","","2030.9","0.5","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18.5 H19 Cl N2 O6 Ru -","- C18.5 H19 Cl N2 O6 Ru -","- C74 H76 Cl4 N8 O24 Ru4 -","4","0.5","","Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White","Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands","Inorganic Chemistry","2004","43","","683","691","10.1021/ic0348401","","","0.71073","MoKα","","0.107","0.052","","0.054","","0.048","","","1.095","","","1.253","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310411","9.2447","0.0008","12.256","0.001","16.403","0.001","99.362","0.001","98.224","0.001","90.164","0.001","1814.2","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O6 Ru -","- C18 H18 N2 O6 Ru -","- C72 H72 N8 O24 Ru4 -","4","2","","Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White","Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands","Inorganic Chemistry","2004","43","","683","691","10.1021/ic0348401","","","0.7107","MoKα","","0.12","0.056","","0.081","","0.053","","","1.087","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310412","8.001","0.002","9.208","0.002","12.673","0.003","91.27","0.03","107.5","0.03","100.31","0.03","873.2","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O5 Ru -","- C19 H14 N2 O5 Ru -","- C38 H28 N4 O10 Ru2 -","2","1","","Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White","Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands","Inorganic Chemistry","2004","43","","683","691","10.1021/ic0348401","","","0.71073","MoKα","","0.065","0.042","","0.048","","0.044","","","1.025","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310413","8.7171","0.0002","10.7983","0.0002","20.1286","0.0006","90","","97.11","0.03","90","","1880.13","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O5 Ru -","- C22 H12 N2 O5 Ru -","- C88 H48 N8 O20 Ru4 -","4","1","","Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White","Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands","Inorganic Chemistry","2004","43","","683","691","10.1021/ic0348401","","","0.71073","MoKα","","0.066","0.04","","0.046","","0.042","","","1.031","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310414","28.776","0.0003","28.776","0.0003","21.113","0.0003","90","","90","","120","","15140.5","0.3","123","2","123","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C30.3333 H28.3333 F6 N4 O6.3333 P Ru2 -","- C30.332 H27 F6 N4 O6.332 P Ru2 -","- C545.976 H486 F108 N72 O113.976 P18 Ru36 -","18","0.5","","Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White","Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands","Inorganic Chemistry","2004","43","","683","691","10.1021/ic0348401","","","0.71073","MoKα","","0.095","0.053","","0.089","","0.075","","","1.041","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310415","11.9978","0.0006","10.7508","0.0008","7.4927","0.0009","90","","90","","90","","966.45","0.14","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C48 H48 N8 -","4","0.5","","Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White","Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands","Inorganic Chemistry","2004","43","","683","691","10.1021/ic0348401","","","0.71073","MoKα","","0.073","0.045","","0.056","","0.052","","","1.131","","","1.282","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310416","15.368","0.002","7.1578","0.0009","19.165","0.003","90","","106.31","0.002","90","","2023.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O8 -","- C23 H20 O8 -","- C92 H80 O32 -","4","1","","Shao-Liang Zheng; Jin-Hua Yang; Xiao-Lan Yu; Xiao-Ming Chen; Wing-Tak Wong","Syntheses, Structures, Photoluminescence, and Theoretical Studies of d10 Metal Complexes of 2,2'-Dihydroxy-[1,1']binaphthalenyl-3,3'-dicarboxylate","Inorganic Chemistry","2004","43","","830","838","10.1021/ic034847i","","","0.71073","MoKα","","0.1087","0.054","","","0.1535","0.1778","","","","","","0.957","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310417","15.822","0.008","9.162","0.003","15.345","0.004","90","","90.49","0.01","90","","2224.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cd2 O18 -","- C44 H36 Cd2 O18 -","- C88 H72 Cd4 O36 -","2","0.5","","Shao-Liang Zheng; Jin-Hua Yang; Xiao-Lan Yu; Xiao-Ming Chen; Wing-Tak Wong","Syntheses, Structures, Photoluminescence, and Theoretical Studies of d10 Metal Complexes of 2,2'-Dihydroxy-[1,1']binaphthalenyl-3,3'-dicarboxylate","Inorganic Chemistry","2004","43","","830","838","10.1021/ic034847i","","","0.71073","MoKα","","0.0854","0.0495","","","0.1104","0.1271","","","","","","1.014","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310418","13.1686","0.0011","16.7358","0.0013","17.3144","0.0014","113.416","0.003","100.613","0.003","93.647","0.003","3401.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H130 Cd8 O67 -","- C132 H130 Cd8 O67 -","- C132 H130 Cd8 O67 -","1","0.5","","Shao-Liang Zheng; Jin-Hua Yang; Xiao-Lan Yu; Xiao-Ming Chen; Wing-Tak Wong","Syntheses, Structures, Photoluminescence, and Theoretical Studies of d10 Metal Complexes of 2,2'-Dihydroxy-[1,1']binaphthalenyl-3,3'-dicarboxylate","Inorganic Chemistry","2004","43","","830","838","10.1021/ic034847i","","","0.71073","MoKα","","0.0595","0.0477","","","0.1225","0.1292","","","","","","1.023","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310419","13.796","0.005","14.348","0.007","15.22","0.008","109.84","0.07","94.01","0.07","110.34","0.06","2596","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H76 N4 O30 Zn4 -","- C102 H76 N4 O30 Zn4 -","- C102 H76 N4 O30 Zn4 -","1","0.5","","Shao-Liang Zheng; Jin-Hua Yang; Xiao-Lan Yu; Xiao-Ming Chen; Wing-Tak Wong","Syntheses, Structures, Photoluminescence, and Theoretical Studies of d10 Metal Complexes of 2,2'-Dihydroxy-[1,1']binaphthalenyl-3,3'-dicarboxylate","Inorganic Chemistry","2004","43","","830","838","10.1021/ic034847i","","","0.71073","MoKα","","0.1284","0.0698","","","0.1753","0.2154","","","","","","1.048","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310420","13.497","0.003","4.7949","0.0009","11.417","0.002","90","","108.925","0.003","90","","698.9","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-phenylenebis(picolinaldimine)","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","0.5","","P.J. Ball; Tanya Rarog Shtoyko; Jeanette A. Krause Bauer; Warren J. Oldham; William B. Connick","Binuclear Rhenium(I) Complexes with Bridging [2.2]Paracyclophane-Diimine Ligands: Probing Electronic Coupling through π-π Interactions","Inorganic Chemistry","2004","43","","622","632","10.1021/ic0348648","","","0.71073","MoKα","","0.0929","0.0514","","","0.115","0.133","","","","","","1.028","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310421","8.2238","0.0011","15.336","0.002","8.4532","0.0011","90","","98.578","0.003","90","","1054.2","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,16-bis(picolinaldimine)-[2.2]paracyclophane (BPPc)","","- C28 H24 N4 -","- C28 H24 N4 -","- C56 H48 N8 -","2","0.5","","P.J. Ball; Tanya Rarog Shtoyko; Jeanette A. Krause Bauer; Warren J. Oldham; William B. Connick","Binuclear Rhenium(I) Complexes with Bridging [2.2]Paracyclophane-Diimine Ligands: Probing Electronic Coupling through π-π Interactions","Inorganic Chemistry","2004","43","","622","632","10.1021/ic0348648","","","0.71073","MoKα","","0.1017","0.0645","","","0.1671","0.1858","","","","","","1.05","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310422","13.659","0.0015","12.7292","0.0014","8.8871","0.0009","90","","94.056","0.003","90","","1541.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,16-bis(benzophenone-imine)-[2.2]paracyclophane","","- C42 H34 N2 -","- C42 H34 N2 -","- C84 H68 N4 -","2","0.5","","P.J. Ball; Tanya Rarog Shtoyko; Jeanette A. Krause Bauer; Warren J. Oldham; William B. Connick","Binuclear Rhenium(I) Complexes with Bridging [2.2]Paracyclophane-Diimine Ligands: Probing Electronic Coupling through π-π Interactions","Inorganic Chemistry","2004","43","","622","632","10.1021/ic0348648","","","0.56086","AgKα","","0.1293","0.0573","","","0.1164","0.1466","","","","","","1.012","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310423","13.514","0.003","20.006","0.004","20.297","0.004","62.07","0.03","81.59","0.03","76.24","0.03","4705","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H94 Cl10 F18 N7 P3 Pt2 -","- C71 H94 Cl10 F18 N7 P3 Pt2 -","- C142 H188 Cl20 F36 N14 P6 Pt4 -","2","1","","Vivian Wing-Wah Yam; Chi-Kuen Hui; Shu-Yan Yu; Nianyong Zhu","Syntheses, Luminescence Behavior, and Assembly Reaction of Tetraalkynylplatinate(II) Complexes: Crystal Structures of [Pt(tBu3trpy)(C\τbCC5H4N)Pt(tBu3trpy)](PF6)3 and [Pt2Ag4(C\τbCC\τbCC6H4CH3-4)8(THF)4]","Inorganic Chemistry","2004","43","","812","821","10.1021/ic034877l","","","0.71073","MoKα","","0.1022","0.0591","","","0.1603","0.1814","","","","","","0.932","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310424","26.059","0.005","15.965","0.003","25.021","0.005","90","","91.17","0.03","90","","10407","3","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C112 H108 Ag4 O6 Pt2 -","- C112 H108 Ag4 O6 Pt2 -","- C448 H432 Ag16 O24 Pt8 -","4","0.5","","Vivian Wing-Wah Yam; Chi-Kuen Hui; Shu-Yan Yu; Nianyong Zhu","Syntheses, Luminescence Behavior, and Assembly Reaction of Tetraalkynylplatinate(II) Complexes: Crystal Structures of [Pt(tBu3trpy)(C\τbCC5H4N)Pt(tBu3trpy)](PF6)3 and [Pt2Ag4(C\τbCC\τbCC6H4CH3-4)8(THF)4]","Inorganic Chemistry","2004","43","","812","821","10.1021/ic034877l","","","0.71069","MoKα","","0.1064","0.057","","","0.1447","0.181","","","","","","0.877","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310425","8.095","0.001","8.095","0.001","46.283","0.006","90","","90","","90","","3032.9","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Cobalt complex of dinitrobenzoic acid and 4,4'-bipyridine","","","- C26 H20 Co N6 O14 -","- C26 H20 Co N6 O14 -","- C104 H80 Co4 N24 O56 -","4","0.5","","V. R. Pedireddi; Sunil Varughese","Solvent-Dependent Coordination Polymers: Cobalt Complexes of 3,5-Dinitrobenzoic Acid and 3,5-Dinitro-4-methylbenzoic Acid with 4,4'-Bipyrdine","Inorganic Chemistry","2004","43","","450","457","10.1021/ic0349499","","","0.71073","MoKα","","0.059","0.05","","0.121","0.114","","","","1.229","1.221","1.221","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310426","22.774","0.002","11.375","0.001","22.533","0.002","90","","104.15","0.01","90","","5660.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Co(II)(bis-bipyridine)(tetrakis(3,5-dinitro benzene-1-carboxylic acid))methanol]","","- C52 H37 Co2 N12 O26 -","- C52 H37 Co2 N12 O26 -","- C208 H148 Co8 N48 O104 -","4","1","","V. R. Pedireddi; Sunil Varughese","Solvent-Dependent Coordination Polymers: Cobalt Complexes of 3,5-Dinitrobenzoic Acid and 3,5-Dinitro-4-methylbenzoic Acid with 4,4'-Bipyrdine","Inorganic Chemistry","2004","43","","450","457","10.1021/ic0349499","","","0.71073","MoKα","","0.218","0.104","","","0.215","0.291","","","","","","1.121","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310427","17.675","0.006","18.709","0.004","21.044","0.006","90","","108.68","0.03","90","","6592","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cobalt complex of 3,5-Dinitrotoluic acid and 4,4'-Bipyridine","","","- C26 H18 Co N6 O12 -","- C26 H18 Co N6 O12.228 -","- C208 H144 Co8 N48 O97.824 -","8","1","","V. R. Pedireddi; Sunil Varughese","Solvent-Dependent Coordination Polymers: Cobalt Complexes of 3,5-Dinitrobenzoic Acid and 3,5-Dinitro-4-methylbenzoic Acid with 4,4'-Bipyrdine","Inorganic Chemistry","2004","43","","450","457","10.1021/ic0349499","","","0.71073","MoKα","","0.1294","0.0992","","","0.2822","0.3224","","","","","","1.338","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310428","11.025","0.005","15.139","0.004","11.443","0.004","90","","97.48","0.03","90","","1893.7","1.2","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Cobalt(II) complex of Dinitrotoluic acid with 4,4'-Bipyridine","","","- C30 H18 Co N6 O16 S2 -","- C30 H18 Co N6 O16.094 S2 -","- C60 H36 Co2 N12 O32.188 S4 -","2","0.5","","V. R. Pedireddi; Sunil Varughese","Solvent-Dependent Coordination Polymers: Cobalt Complexes of 3,5-Dinitrobenzoic Acid and 3,5-Dinitro-4-methylbenzoic Acid with 4,4'-Bipyrdine","Inorganic Chemistry","2004","43","","450","457","10.1021/ic0349499","","","0.71073","MoKα","","0.0793","0.0522","","","0.14","0.1631","","","","","","1.061","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310429","13.0491","0.0003","11.6549","0.0003","17.0704","0.0004","90","","96.589","0.001","90","","2579.02","0.11","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N2 P Si2 -","- C25 H33 N2 P Si2 -","- C100 H132 N8 P4 Si8 -","4","1","","Eric Rivard; Alan J. Lough; Tristram Chivers; Ian Manners","Synthesis of Linear and Cyclic Carbophosphazenes via an Oxidative Chlorination Strategy","Inorganic Chemistry","2004","43","","802","811","10.1021/ic034954c","","","0.71073","MoKα","","0.0829","0.0485","","","0.1154","0.1338","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310430","9.67","0.0002","10.502","0.0002","10.612","0.0002","98.504","0.0012","91.003","0.0012","106.582","0.0011","1019.49","0.04","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Cl N2 P -","- C23 H24 Cl N2 P -","- C46 H48 Cl2 N4 P2 -","2","1","","Eric Rivard; Alan J. Lough; Tristram Chivers; Ian Manners","Synthesis of Linear and Cyclic Carbophosphazenes via an Oxidative Chlorination Strategy","Inorganic Chemistry","2004","43","","802","811","10.1021/ic034954c","","","0.71073","MoKα","","0.045","0.0372","","","0.1014","0.1082","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310431","22.471","0.0001","8.726","0.0004","22.9941","0.0005","90","","90","","90","","4508.7","0.2","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 Cl2 N2 P -","- C23 H25 Cl2 N2 P -","- C184 H200 Cl16 N16 P8 -","8","1","","Eric Rivard; Alan J. Lough; Tristram Chivers; Ian Manners","Synthesis of Linear and Cyclic Carbophosphazenes via an Oxidative Chlorination Strategy","Inorganic Chemistry","2004","43","","802","811","10.1021/ic034954c","","","0.71073","MoKα","","0.0907","0.0549","","","0.1292","0.1482","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310432","11.147","0.0003","10.003","0.0003","24.74","0.0006","90","","90.324","0.0017","90","","2758.55","0.13","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Cl4 N2 P -","- C26 H31 Cl4 N2 P -","- C104 H124 Cl16 N8 P4 -","4","1","","Eric Rivard; Alan J. Lough; Tristram Chivers; Ian Manners","Synthesis of Linear and Cyclic Carbophosphazenes via an Oxidative Chlorination Strategy","Inorganic Chemistry","2004","43","","802","811","10.1021/ic034954c","","","0.71073","MoKα","","0.0922","0.0478","","","0.1044","0.1248","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310433","12.568","0.0004","8.602","0.0003","19.707","0.0005","90","","93.526","0.0017","90","","2126.49","0.11","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl6 N5 P3 -","- C14 H10 Cl6 N5 P3 -","- C56 H40 Cl24 N20 P12 -","4","1","","Eric Rivard; Alan J. Lough; Tristram Chivers; Ian Manners","Synthesis of Linear and Cyclic Carbophosphazenes via an Oxidative Chlorination Strategy","Inorganic Chemistry","2004","43","","802","811","10.1021/ic034954c","","","0.71073","MoKα","","0.0607","0.0407","","","0.0989","0.1101","","","","","","1.069","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310434","9.146","0.0002","10.044","0.0003","12.439","0.0004","103.63","0.0009","109.146","0.001","91.442","0.0014","1042.52","0.05","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C7 H5 Cl9 Ga N4 P3 -","- C7 H5 Cl9 Ga N4 P3 -","- C14 H10 Cl18 Ga2 N8 P6 -","2","1","","Eric Rivard; Alan J. Lough; Tristram Chivers; Ian Manners","Synthesis of Linear and Cyclic Carbophosphazenes via an Oxidative Chlorination Strategy","Inorganic Chemistry","2004","43","","802","811","10.1021/ic034954c","","","0.71073","MoKα","","0.056","0.0388","","","0.0904","0.0992","","","","","","1.068","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310435","20.6773","0.0012","25.2183","0.0014","16.5171","0.0009","90","","90","","90","","8612.8","0.8","298","2","298","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C60 H120 Mg5.04 Mn0.96 N12 O24 -","- C59.968 H120 Mg5.02 Mn0.9672 N12 O24 -","- C239.872 H480 Mg20.08 Mn3.8688 N48 O96 -","4","0.25","","M. Tyler Caudle; Charles K. Mobley; Laura M. Bafaro; Russell LoBrutto; Gordon T. Yee; Thomas L. Groy","EPR and Magnetic Properties of Heteronuclear MnnMg6-n(O2CNEt2)12: Impact of Structural Distortions on Mn(II) in Weak Ligand Fields","Inorganic Chemistry","2004","43","","506","514","10.1021/ic0349757","","","0.71073","MoKα","","0.0962","0.0459","","","0.1137","0.1288","","","","","","0.839","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310436","13.163","0.002","14.1","0.003","14.663","0.002","102.606","0.002","100.461","0.002","108.053","0.003","2432.3","0.7","113.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H46 N O16 P3 S10 W3 -","- C27 H41 N O16 P3 S10 W3 -","- C54 H82 N2 O32 P6 S20 W6 -","2","1","","Yasuhiro Ide; Makoto Sasaki; Masataka Maeyama; Takashi Shibahara","Adducts of Acetylene and Dimethylacetylenedicarboxylate at Sulfurs in Sulfur-Bridged Incomplete Cubane-Type Tungsten Clusters","Inorganic Chemistry","2004","43","","602","612","10.1021/ic0349860","","","0.7107","MoKα","","","0.0314","","","","0.0878","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310437","14.7252","0.0009","15.2587","0.0007","26.0327","0.0005","90","","105.324","0.0002","90","","5641.3","0.4","293.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.65 H36.65 N14.33 O0.5 S13 W3 -","- C39.63 N14.35 O0.5 S13 W3 -","- C158.52 N57.4 O2 S52 W12 -","4","1","","Yasuhiro Ide; Makoto Sasaki; Masataka Maeyama; Takashi Shibahara","Adducts of Acetylene and Dimethylacetylenedicarboxylate at Sulfurs in Sulfur-Bridged Incomplete Cubane-Type Tungsten Clusters","Inorganic Chemistry","2004","43","","602","612","10.1021/ic0349860","","","0.7107","MoKα","","","0.0392","","","","0.0984","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310438","18.4","0.007","14.566","0.002","12.313","0.004","90","","113.19","0.01","90","","3033.4","1.6","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Ag6 Cr2 O30 -","- C12 Ag6 Cr2 O30 -","- C48 Ag24 Cr8 O120 -","4","0.5","","Philip A. W. Dean; Don Craig; Ian Dance; Vanessa Russell; Marcia Scudder","A variable Ag-Cr-oxalate channel lattice: [M~x~Ag~0.5-x~(H~2~O)~3~]@[Ag~2.5~Cr(C~2~O~4~)~3~], M = K, Cs, Ag","Inorganic Chemistry","2004","43","","443","449","10.1021/ic034988k","","","0.71073","MoKα","","","0.059","","","","0.108","","","","","","1.86","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310439","18.382","0.003","14.599","0.001","12.313","0.002","90","","113.12","0.01","90","","3038.9","0.8","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Ag5.62 Cr2 Cs0.38 O30 -","- C12 Ag5.62 Cr2 Cs0.38 O30 -","- C48 Ag22.48 Cr8 Cs1.52 O120 -","4","0.5","","Philip A. W. Dean; Don Craig; Ian Dance; Vanessa Russell; Marcia Scudder","A variable Ag-Cr-oxalate channel lattice: [M~x~Ag~0.5-x~(H~2~O)~3~]@[Ag~2.5~Cr(C~2~O~4~)~3~], M = K, Cs, Ag","Inorganic Chemistry","2004","43","","443","449","10.1021/ic034988k","","","0.71073","MoKα","","","0.063","","","","0.11","","","","","","1.91","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310440","18.302","0.008","14.67","0.003","12.298","0.005","90","","113.62","0.02","90","","3025","2","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Ag5.44 Cr2 K0.56 O30 -","- C12 Ag5.44 Cr2 K0.56 O30 -","- C48 Ag21.76 Cr8 K2.24 O120 -","4","0.5","","Philip A. W. Dean; Don Craig; Ian Dance; Vanessa Russell; Marcia Scudder","A variable Ag-Cr-oxalate channel lattice: [M~x~Ag~0.5-x~(H~2~O)~3~]@[Ag~2.5~Cr(C~2~O~4~)~3~], M = K, Cs, Ag","Inorganic Chemistry","2004","43","","443","449","10.1021/ic034988k","","","0.71073","MoKα","","","0.069","","","","0.121","","","","","","1.92","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310441","18.338","0.009","14.619","0.003","12.379","0.004","90","","113","0.02","90","","3055","2","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Ag5.18 Cr2 Cs0.82 O30 -","- C12 Ag5.18 Cr2 Cs0.82 O30 -","- C48 Ag20.72 Cr8 Cs3.28 O120 -","4","0.5","","Philip A. W. Dean; Don Craig; Ian Dance; Vanessa Russell; Marcia Scudder","A variable Ag-Cr-oxalate channel lattice: [M~x~Ag~0.5-x~(H~2~O)~3~]@[Ag~2.5~Cr(C~2~O~4~)~3~], M = K, Cs, Ag","Inorganic Chemistry","2004","43","","443","449","10.1021/ic034988k","","","0.71073","MoKα","","","0.053","","","","0.093","","","","","","1.92","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310442","18.335","0.006","14.628","0.002","12.383","0.004","90","","113","0.01","90","","3057.2","1.5","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Ag5.14 Cr2 Cs0.86 O30 -","- C12 Ag5.14 Cr2 Cs0.86 O30 -","- C48 Ag20.56 Cr8 Cs3.44 O120 -","4","0.5","","Philip A. W. Dean; Don Craig; Ian Dance; Vanessa Russell; Marcia Scudder","A variable Ag-Cr-oxalate channel lattice: [M~x~Ag~0.5-x~(H~2~O)~3~]@[Ag~2.5~Cr(C~2~O~4~)~3~], M = K, Cs, Ag","Inorganic Chemistry","2004","43","","443","449","10.1021/ic034988k","","","0.71073","MoKα","","","0.061","","","","0.118","","","","","","1.92","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310443","22.214","0.009","11.7","0.004","18.977","0.008","90","","111.527","0.007","90","","4588","3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 3h","","","- C44 H56 N5 O12 P3 -","- C44 H56 N5 O12 P3 -","- C176 H224 N20 O48 P12 -","4","1","","Michael Harmjanz; Ingmar M. Piglosiewicz; Brian L. Scott; Carol J. Burns","Generation of Spirotricyclic Site-Differentiated Cyclotriphosphazenes: A Solvent-Free Approach to Multidentate N/O Donor Ligand Systems","Inorganic Chemistry","2004","43","","642","650","10.1021/ic034990b","","","0.71073","MoKα","","0.1257","0.0972","","","0.1802","0.1865","","","","","","1.817","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310444","11.225","0.003","11.484","0.003","17.683","0.004","80.303","0.004","85.976","0.004","62.316","0.004","1989.6","0.9","203","2","203","2","","","","","","","","7","P -1","-P 1","2","compound_4","","","- C25 H31 Cl5 N11 O6 P3 Re2 -","- C25 H31 Cl5 N11 O6 P3 Re2 -","- C50 H62 Cl10 N22 O12 P6 Re4 -","2","1","","Michael Harmjanz; Ingmar M. Piglosiewicz; Brian L. Scott; Carol J. Burns","Generation of Spirotricyclic Site-Differentiated Cyclotriphosphazenes: A Solvent-Free Approach to Multidentate N/O Donor Ligand Systems","Inorganic Chemistry","2004","43","","642","650","10.1021/ic034990b","","","0.71073","MoKα","","0.054","0.0472","","","0.1237","0.1273","","","","","","1.145","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310445","14.114","0.004","16.681","0.005","16.772","0.005","90","","91.431","0.006","90","","3947","2","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound_5","","","- C21 H36 Fe2 I4 N11 O0.75 P3 -","- C18 H30 Fe2 I4 N11 P3 -","- C72 H120 Fe8 I16 N44 P12 -","4","1","","Michael Harmjanz; Ingmar M. Piglosiewicz; Brian L. Scott; Carol J. Burns","Generation of Spirotricyclic Site-Differentiated Cyclotriphosphazenes: A Solvent-Free Approach to Multidentate N/O Donor Ligand Systems","Inorganic Chemistry","2004","43","","642","650","10.1021/ic034990b","","","0.71073","MoKα","","0.0548","0.0435","","","0.0969","0.1006","","","","","","1.13","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310446","20.712","0.007","10.281","0.003","38.104","0.011","90","","96.866","0.009","90","","8056","4","203","2","203","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","compound_6","","","- C24 H44 Cl4 N13 O2 P3 Pd2 -","- C24 H44 Cl4 N13 O2 P3 Pd2 -","- C192 H352 Cl32 N104 O16 P24 Pd16 -","8","1","","Michael Harmjanz; Ingmar M. Piglosiewicz; Brian L. Scott; Carol J. Burns","Generation of Spirotricyclic Site-Differentiated Cyclotriphosphazenes: A Solvent-Free Approach to Multidentate N/O Donor Ligand Systems","Inorganic Chemistry","2004","43","","642","650","10.1021/ic034990b","","","0.71073","MoKα","","0.0755","0.0644","","","0.1461","0.1504","","","","","","1.257","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310447","9.6291","0.0013","11.8931","0.0018","18.22","0.003","76.506","0.002","81.191","0.003","78.136","0.002","1973.4","0.5","203","2","203","2","","","","","","","","6","P -1","-P 1","2","compound 7","","","- C26 H37 La N16 O9.5 P3 -","- C24 H32 La N16 O9 P3 -","- C48 H64 La2 N32 O18 P6 -","2","1","","Michael Harmjanz; Ingmar M. Piglosiewicz; Brian L. Scott; Carol J. Burns","Generation of Spirotricyclic Site-Differentiated Cyclotriphosphazenes: A Solvent-Free Approach to Multidentate N/O Donor Ligand Systems","Inorganic Chemistry","2004","43","","642","650","10.1021/ic034990b","","","0.71073","MoKα","","0.0596","0.053","","","0.1361","0.1396","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310448","13.5691","0.001","42.461","0.003","24.0093","0.0018","90","","100.699","0.002","90","","13592.7","1.7","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","[FeOETPP(4-CNPy)2]ClO4","bis{4-cyanopyridine}octaethyltetraphenylporphinato Iron(III) perchlorate","","- C73.5 H71 Cl4 Fe N8 O4 -","- C73.5 H71 Cl4 Fe N8 O4 -","- C588 H568 Cl32 Fe8 N64 O32 -","8","4","","Liliya A. Yatsunyk; F. Ann Walker","Structural, NMR, and EPR Studies of S=1/2 and S=3/2 Fe(III) Bis(4-Cyanopyridine) Complexes of Dodecasubstituted Porphyrins","Inorganic Chemistry","2004","43","","757","777","10.1021/ic035010q","","","0.71073","MoKα","","0.1452","0.0707","","","0.1675","0.2106","","","","","","1.026","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4310449","14.3386","0.0004","21.7212","0.0005","24.1113","0.0006","101.25","0.001","99.05","0.001","97.391","0.001","7174.4","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","[FeOETPP(4-CNPy)2]Cl","bis{4-cyanopyridine}octaethyltetraphenylporphinato Iron(III) perchlorate","","- C74 H70 Cl7 Fe N8 O4 -","- C74 H70 Cl7 Fe N8 O4 -","- C296 H280 Cl28 Fe4 N32 O16 -","4","2","","Liliya A. Yatsunyk; F. Ann Walker","Structural, NMR, and EPR Studies of S=1/2 and S=3/2 Fe(III) Bis(4-Cyanopyridine) Complexes of Dodecasubstituted Porphyrins","Inorganic Chemistry","2004","43","","757","777","10.1021/ic035010q","","","0.71073","MoKα","","0.248","0.066","","","0.0956","0.1519","","","","","","0.65","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4310450","14.7529","0.0016","23.115","0.003","17.358","0.0019","90","","98.505","0.003","90","","5854.2","1.2","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[FeOMTPP(4-CNPy)2]ClO4","bis{4-cyanopyridine}octamethyltetraphenylporphinato Iron(III) perchlorate","","- C65 H53 Cl4 Fe N8 O4 -","- C65 H53 Cl4 Fe N8 O4 -","- C260 H212 Cl16 Fe4 N32 O16 -","4","1","","Liliya A. Yatsunyk; F. Ann Walker","Structural, NMR, and EPR Studies of S=1/2 and S=3/2 Fe(III) Bis(4-Cyanopyridine) Complexes of Dodecasubstituted Porphyrins","Inorganic Chemistry","2004","43","","757","777","10.1021/ic035010q","","","0.71073","MoKα","","0.1142","0.0555","","","0.1207","0.1458","","","","","","1.007","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4310451","10.0408","0.0007","11.6439","0.0008","17.7049","0.0013","90.068","0.001","92.012","0.001","112.124","0.001","1916.1","0.2","95","2","293","2","","","","","","","","7","P -1","-P 1","2","","1,2-bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene bis(hexafluoroacetylacetonato)manganese(II) complex","","- C35 H18 F18 Mn N2 O4 S2 -","- C35 H18 F18 Mn N2 O4 S2 -","- C70 H36 F36 Mn2 N4 O8 S4 -","2","1","","Kenji Matsuda; Kohsuke Takayama; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and Zn(II), Mn(II), and Cu(II) Hexafluoroacetylacetonates","Inorganic Chemistry","2004","43","","482","489","10.1021/ic035020r","","","0.71073","MoKα","","0.0499","0.0409","","","0.0991","0.1042","","","","","","1.039","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310452","11.436","0.004","10.719","0.003","17.046","0.005","90","","104.726","0.005","90","","2020.9","1.1","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","1,2-bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene bis(hexafluoroacetylacetonato)copper(II) complex","","- C35 H18 Cu F18 N2 O4 S2 -","- C35 H18 Cu F18 N2 O4 S2 -","- C70 H36 Cu2 F36 N4 O8 S4 -","2","0.5","","Kenji Matsuda; Kohsuke Takayama; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and Zn(II), Mn(II), and Cu(II) Hexafluoroacetylacetonates","Inorganic Chemistry","2004","43","","482","489","10.1021/ic035020r","","","0.71073","MoKα","","0.0659","0.0435","","","0.1172","0.1338","","","","","","1.006","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310453","8.9","0.002","10.774","0.003","17.648","0.005","86.483","0.004","75.633","0.004","72.277","0.004","1561.3","0.7","141","2","293","2","","","","","","","","7","P -1","-P 1","2","","1-(2-methyl-5-phenyl-3-thienyl)-2-(2-methyl-5-(4-pyridyl) -3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene bis(hexafluoroacetylacetonato)copper(II) complex","","- C31 H18 Cu0.5 F12 N O2 S2 -","- C31 H18 Cu0.5 F12 N O2 S2 -","- C62 H36 Cu F24 N2 O4 S4 -","2","1","","Kenji Matsuda; Kohsuke Takayama; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and Zn(II), Mn(II), and Cu(II) Hexafluoroacetylacetonates","Inorganic Chemistry","2004","43","","482","489","10.1021/ic035020r","","","0.71073","MoKα","","0.0672","0.0476","","","0.1231","0.1384","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310454","27.547","0.004","17.256","0.003","14.021","0.002","90","","90.181","0.003","90","","6664.9","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1-(2-methyl-5-phenyl-3-thienyl)-2-(2-methyl-5-(4-pyridyl) -3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene bis(hexafluoroacetylacetonato)copper(II) complex","","- C62 H36 Cu F24 N2 O4 S4 -","- C62 H36 Cu F24 N2 O4 S4 -","- C248 H144 Cu4 F96 N8 O16 S16 -","4","0.5","","Kenji Matsuda; Kohsuke Takayama; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and Zn(II), Mn(II), and Cu(II) Hexafluoroacetylacetonates","Inorganic Chemistry","2004","43","","482","489","10.1021/ic035020r","","","0.71073","MoKα","","0.1519","0.0626","","","0.1188","0.1397","","","","","","0.869","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310455","27.867","0.006","17.212","0.004","13.922","0.003","90","","90.732","0.004","90","","6677","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1-(2-methyl-5-phenyl-3-thienyl)-2-(2-methyl-5-(4-pyridyl) -3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene bis(hexafluoroacetylacetonato)zinc(II) complex","","- C62 H36 F24 N2 O4 S4 Zn -","- C62 H36 F24 N2 O4 S4 Zn -","- C248 H144 F96 N8 O16 S16 Zn4 -","4","0.5","","Kenji Matsuda; Kohsuke Takayama; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and Zn(II), Mn(II), and Cu(II) Hexafluoroacetylacetonates","Inorganic Chemistry","2004","43","","482","489","10.1021/ic035020r","","","0.71073","MoKα","","0.1571","0.0787","","","0.1621","0.1865","","","","","","0.973","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310456","10.546","0.006","20.176","0.01","23.434","0.013","90","","91.76","0.02","90","","4984","5","283","","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","closed ring isomer of 1,2-bis(5-(4-pyridyl)-2-methyl-3-thienyl) hexafluorocyclopentenebis(hexafluoroacetylacetonato)copper(II) complex","","- C40 H19 Cu1.5 F24 N2 O6 S2 -","- C40 H19 Cu1.5 F24 N2 O6 S2 -","- C160 H76 Cu6 F96 N8 O24 S8 -","4","1","","Kenji Matsuda; Kohsuke Takayama; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and Zn(II), Mn(II), and Cu(II) Hexafluoroacetylacetonates","Inorganic Chemistry","2004","43","","482","489","10.1021/ic035020r","","","0.71073","MoKα","","0.3129","0.0616","","","0.1046","0.1803","","","","","","0.721","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310457","9.796","0.003","12.692","0.003","24.549","0.006","90","","90.605","0.005","90","","3052","1.4","146","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","closed ring isomer of 1-(2-methyl-5-phenyl-3-thienyl)-2-(2-methyl-5-pyridyl-3-thienyl) -3,3,4,4,5,5-hexafluorocyclopentene bis(hexafluoroacetylacetonato)copper(II) complex","","- C62 H36 Cu F24 N2 O4 S4 -","- C62 H36 Cu F24 N2 O4 S4 -","- C124 H72 Cu2 F48 N4 O8 S8 -","2","0.5","","Kenji Matsuda; Kohsuke Takayama; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and Zn(II), Mn(II), and Cu(II) Hexafluoroacetylacetonates","Inorganic Chemistry","2004","43","","482","489","10.1021/ic035020r","","","0.71073","MoKα","","0.1282","0.051","","","0.1091","0.1353","","","","","","0.974","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310458","12.087","0.002","14.469","0.003","25.105","0.005","83.73","0.02","82.65","0.01","82.92","0.01","4301.7","1.4","294.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H90 N4 O12 P8 Rh2 -","- C92 H90 N4 O12 P8 Rh2 -","- C184 H180 N8 O24 P16 Rh4 -","2","1","","Sou Kamimura; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I), Ir(I), Ru(II), and Pd(II)","Inorganic Chemistry","2004","43","","399","401","10.1021/ic0350382","","","0.7107","MoKα","","","0.053","","","","0.0529","","","","","","1.309","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310459","12.114","0.001","14.482","0.002","25.103","0.003","83.798","0.009","82.657","0.01","83.01","0.009","4316.2","0.9","294.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H90 Ir2 N4 O12 P8 -","- C92 H90 Ir2 N4 O12 P8 -","- C184 H180 Ir4 N8 O24 P16 -","2","1","","Sou Kamimura; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I), Ir(I), Ru(II), and Pd(II)","Inorganic Chemistry","2004","43","","399","401","10.1021/ic0350382","","","0.7107","MoKα","","","0.0404","","","","0.0415","","","","","","1.238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310460","11.48","0.003","12.974","0.004","13.437","0.004","76.05","0.03","87.91","0.02","88.59","0.03","1940.8","1","108.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H64 Cl2 Ir2 N2 O16 P8 -","- C78 H64 Cl2 Ir2 N2 O16 P8 -","- C78 H64 Cl2 Ir2 N2 O16 P8 -","1","0.5","","Sou Kamimura; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I), Ir(I), Ru(II), and Pd(II)","Inorganic Chemistry","2004","43","","399","401","10.1021/ic0350382","","","0.7107","MoKα","","","0.061","","","","0.078","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310461","16.451","0.003","17.487","0.004","15.173","0.004","90","","121.43","0.01","90","","3724.5","1.5","294.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 O12 P4 Rh4 -","- C32 H48 O12 P4 Rh4 -","- C128 H192 O48 P16 Rh16 -","4","0.5","","Sou Kamimura; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I), Ir(I), Ru(II), and Pd(II)","Inorganic Chemistry","2004","43","","399","401","10.1021/ic0350382","","","0.7107","MoKα","","","0.0302","","","","0.0304","","","","","","1.282","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310462","11.134","0.001","14.932","0.002","15.744","0.002","92.54","0.01","104.713","0.009","96.186","0.01","2509.9","0.5","294.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H110 N6 O16 P8 Ru2 -","- C96 H78 N6 O16 P8 Ru2 -","- C96 H78 N6 O16 P8 Ru2 -","1","0.5","","Sou Kamimura; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I), Ir(I), Ru(II), and Pd(II)","Inorganic Chemistry","2004","43","","399","401","10.1021/ic0350382","","","0.7107","MoKα","","","0.0641","","","","0.1731","","","","","","1.613","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310463","10.128","0.006","16.224","0.007","24.311","0.006","90","","99.17","0.04","90","","3944","3","294.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H78 N2 O14 P8 Pd2 -","- C80 H76 N2 O14 P8 Pd2 -","- C160 H152 N4 O28 P16 Pd4 -","2","0.5","","Sou Kamimura; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I), Ir(I), Ru(II), and Pd(II)","Inorganic Chemistry","2004","43","","399","401","10.1021/ic0350382","","","0.7107","MoKα","","","0.0553","","","","0.0545","","","","","","2.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310464","21.04152","0.00035","21.04152","0.00035","11.42935","0.00022","90","","90","","120","","4382.34","0.13","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Zn(4-pymo)2","","","- C8 H6 N4 O2 Zn -","- C8 H6 N4 O2 Zn -","- C144 H108 N72 O36 Zn18 -","18","1","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Coordination Frameworks Containing the Pyrimidin-4-olate Ligand. Synthesis, Thermal, Magnetic, and ab Initio XRPD Structural Characterization of Nickel and Zinc Derivatives","Inorganic Chemistry","2004","43","","473","481","10.1021/ic0351287","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310465","13.42758","0.00042","12.90329","0.00045","6.75501","0.00019","90","","90","","90","","1170.37","0.06","","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","Ni(4-pymo)2(H2O)4","","","- C8 H14 N4 Ni O6 -","- C8 H6 N4 Ni O6 -","- C32 H24 N16 Ni4 O24 -","4","0.5","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Coordination Frameworks Containing the Pyrimidin-4-olate Ligand. Synthesis, Thermal, Magnetic, and ab Initio XRPD Structural Characterization of Nickel and Zinc Derivatives","Inorganic Chemistry","2004","43","","473","481","10.1021/ic0351287","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310466","6.51413","0.00069","6.51413","0.00069","20.9318","0.0029","90","","90","","90","","888.22","0.18","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","Ni(4-pymo)2","","","- C8 H6 N4 Ni O2 -","- C8 H6 N4 Ni O2 -","- C32 H24 N16 Ni4 O8 -","4","0.125","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Coordination Frameworks Containing the Pyrimidin-4-olate Ligand. Synthesis, Thermal, Magnetic, and ab Initio XRPD Structural Characterization of Nickel and Zinc Derivatives","Inorganic Chemistry","2004","43","","473","481","10.1021/ic0351287","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310467","18.3867","0.0011","20.2465","0.0012","21.232","0.0013","90","","90","","90","","7904","0.8","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H50 Al Cl2 N2 P -","- C41 H50 Al Cl2 N2 P -","- C328 H400 Al8 Cl16 N16 P8 -","8","1","","Neil Burford; Mark D'eon; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Synthesis and Structures of Complexes Demonstrating the Coordinative Versatility of the 2,4-Diimino-3-phosphinopentene Anion (γ-Phosphino-β-diketiminate)","Inorganic Chemistry","2004","43","","734","738","10.1021/ic0351444","","x-ray","0.71073","MoKα","","0.1092","0.0564","","","0.1175","0.138","","","","","","1.007","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310468","10.1138","0.0004","11.1175","0.0005","19.6442","0.0009","77.193","0.001","84.797","0.001","78.208","0.001","2106.01","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 Li N2 P -","- C48 H58 Li N2 P -","- C96 H116 Li2 N4 P2 -","2","1","","Neil Burford; Mark D'eon; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Synthesis and Structures of Complexes Demonstrating the Coordinative Versatility of the 2,4-Diimino-3-phosphinopentene Anion (γ-Phosphino-β-diketiminate)","Inorganic Chemistry","2004","43","","734","738","10.1021/ic0351444","","x-ray","0.71073","MoKα","","0.0612","0.0474","","","0.1217","0.1312","","","","","","1.021","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310469","34.699","0.003","11.3045","0.0009","20.9953","0.0015","90","","96.0247","0.0015","90","","8190","1.1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H56 Cl2 N2 P Sb -","- C43.5 H56 Cl2 N2 P Sb -","- C348 H448 Cl16 N16 P8 Sb8 -","8","1","","Neil Burford; Mark D'eon; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Synthesis and Structures of Complexes Demonstrating the Coordinative Versatility of the 2,4-Diimino-3-phosphinopentene Anion (γ-Phosphino-β-diketiminate)","Inorganic Chemistry","2004","43","","734","738","10.1021/ic0351444","","","0.71073","MoKα","","0.0882","0.0553","","","0.1386","0.1525","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310470","7.2651","0.0008","10.4394","0.0012","20.293","0.002","90","","90","","90","","1539.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Br Co N4 O4 -","- C11 H20 Br Co N4 O4 -","- C44 H80 Br4 Co4 N16 O16 -","4","1","","Kaian Yao; Xin Zhang; Huilan Chen; Yuhua Mei; Yizhi Li","Synthesis and Crystal Structures of A New Series of Intramolecular Bridged Alkylcobaloxime Complexes","Inorganic Chemistry","2004","43","","577","583","10.1021/ic035147g","","","0.71073","MoKα","","0.0463","0.0356","","","0.0595","0.0613","","","","","","0.902","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310471","6.345","0.001","13.161","0.001","21.071","0.002","90","","96.77","0.01","90","","1747.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 Cl Co N4 O9 -","- C11 H22 Cl Co N4 O9 -","- C44 H88 Cl4 Co4 N16 O36 -","4","1","","Kaian Yao; Xin Zhang; Huilan Chen; Yuhua Mei; Yizhi Li","Synthesis and Crystal Structures of A New Series of Intramolecular Bridged Alkylcobaloxime Complexes","Inorganic Chemistry","2004","43","","577","583","10.1021/ic035147g","","","0.71073","MoKα","","0.0599","0.0417","","","0.0903","0.0948","","","","","","0.947","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310472","8.315","0.001","11.812","0.001","22.357","0.002","90","","95.71","0.01","90","","2184.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Cl Co N5 O8 -","- C16 H25 Cl Co N5 O8 -","- C64 H100 Cl4 Co4 N20 O32 -","4","1","","Kaian Yao; Xin Zhang; Huilan Chen; Yuhua Mei; Yizhi Li","Synthesis and Crystal Structures of A New Series of Intramolecular Bridged Alkylcobaloxime Complexes","Inorganic Chemistry","2004","43","","577","583","10.1021/ic035147g","","","0.71073","MoKα","","0.0674","0.0526","","","0.1433","0.1511","","","","","","1.051","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310473","7.663","0.001","12.679","0.001","13.353","0.001","91.77","0.01","101.75","0.01","96.39","0.01","1260.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Cl Co N6 O9 -","- C18 H28 Cl Co N6 O9 -","- C36 H56 Cl2 Co2 N12 O18 -","2","1","","Kaian Yao; Xin Zhang; Huilan Chen; Yuhua Mei; Yizhi Li","Synthesis and Crystal Structures of A New Series of Intramolecular Bridged Alkylcobaloxime Complexes","Inorganic Chemistry","2004","43","","577","583","10.1021/ic035147g","","","0.71073","MoKα","","0.0678","0.0558","","","0.1439","0.1485","","","","","","1.007","","","","has coordinates,has disorder","179143","2020-10-21","18:00:00",""
"4310474","8.6522","0.0009","8.9895","0.0009","23.872","0.002","90","","98.976","0.002","90","","1834","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Co N6 O5 -","- C14 H25 Co N6 O5 -","- C56 H100 Co4 N24 O20 -","4","1","","Kaian Yao; Xin Zhang; Huilan Chen; Yuhua Mei; Yizhi Li","Synthesis and Crystal Structures of A New Series of Intramolecular Bridged Alkylcobaloxime Complexes","Inorganic Chemistry","2004","43","","577","583","10.1021/ic035147g","","","0.71073","MoKα","","0.0504","0.0401","","","0.0987","0.1028","","","","","","0.992","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310475","15.716","0.007","37.4","0.01","9.236","0.002","90","","90","","90","","5429","3","295.2","","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 B2 Bi Cl N14 -","- C21 B2 Bi Cl N14 -","- C168 B16 Bi8 Cl8 N112 -","8","1","","Christopher A. Dodds; Alan R. Kennedy; John Reglinski; Mark D. Spicer","Pushing the Frontiers of Hard and Soft Scorpionate Chemistry","Inorganic Chemistry","2004","43","","394","395","10.1021/ic035167i","","","0.7107","MoKalpha","","","0.0489","","","0.0495","","","","","1.188","1.188","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310476","15.1347","0.0002","19.483","0.0003","15.2672","0.0003","90","","105.684","0.001","90","","4334.21","0.12","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","Te(Tm)2","","","- C26 H34 B2 Cl6 N12 S6 Te -","- C26 H34 B2 Cl6 N12 S6 Te -","- C104 H136 B8 Cl24 N48 S24 Te4 -","4","1","","Christopher A. Dodds; Alan R. Kennedy; John Reglinski; Mark D. Spicer","Pushing the Frontiers of Hard and Soft Scorpionate Chemistry","Inorganic Chemistry","2004","43","","394","395","10.1021/ic035167i","","x-ray","0.71073","MoKα","","0.0665","0.0429","","","0.0871","0.0952","","","","","","1.025","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310477","14.759","0.003","26.369","0.005","37.217","0.007","90","","90.12","0.03","90","","14484","5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H153 Cl6 Eu La N33 O27 -","- C144 H153 Cl6 Eu La N33 O27 -","- C576 H612 Cl24 Eu4 La4 N132 O108 -","4","1","","Nicolas André; Thomas B. Jensen; Rosario Scopelliti; Daniel Imbert; Mourad Elhabiri; Gérard Hopfgartner; Claude Piguet; Jean-Claude G. Bünzli","Supramolecular Recognition of Heteropairs of Lanthanide Ions: A Step toward Self-Assembled Bifunctional Probes","Inorganic Chemistry","2004","43","","515","529","10.1021/ic0351996","","","0.7107","MoKα","","0.1115","0.0671","","","0.1772","0.2013","","","","","","0.936","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310478","14.777","0.005","26.344","0.016","37.25","0.013","90","","90.29","0.03","90","","14501","11","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H153 Cl6 La N33 O27 Tb -","- C144 H129 Cl6 La N33 O27 Tb -","- C576 H516 Cl24 La4 N132 O108 Tb4 -","4","1","","Nicolas André; Thomas B. Jensen; Rosario Scopelliti; Daniel Imbert; Mourad Elhabiri; Gérard Hopfgartner; Claude Piguet; Jean-Claude G. Bünzli","Supramolecular Recognition of Heteropairs of Lanthanide Ions: A Step toward Self-Assembled Bifunctional Probes","Inorganic Chemistry","2004","43","","515","529","10.1021/ic0351996","","","0.7107","MoKα","","0.2783","0.0826","","","0.1875","0.2885","","","","","","0.755","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310479","14.805","0.009","26.652","0.011","37.542","0.012","90","","90.23","0.04","90","","14813","12","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C144 H153 Cl6 Eu2 N33 O27 -","- C144 H129 Cl6 Eu2 N33 O27 -","- C576 H516 Cl24 Eu8 N132 O108 -","4","1","","Nicolas André; Thomas B. Jensen; Rosario Scopelliti; Daniel Imbert; Mourad Elhabiri; Gérard Hopfgartner; Claude Piguet; Jean-Claude G. Bünzli","Supramolecular Recognition of Heteropairs of Lanthanide Ions: A Step toward Self-Assembled Bifunctional Probes","Inorganic Chemistry","2004","43","","515","529","10.1021/ic0351996","","","0.7107","MoKα","","0.2516","0.1026","","","0.2445","0.3331","","","","","","0.891","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310480","14.804","0.004","26.381","0.015","37.445","0.015","90","","91.47","0.03","90","","14619","11","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C145 H154 Cl6 Er N34 O27 Pr -","- C145 Cl6 Er N34 O27 Pr -","- C580 Cl24 Er4 N136 O108 Pr4 -","4","1","","Nicolas André; Thomas B. Jensen; Rosario Scopelliti; Daniel Imbert; Mourad Elhabiri; Gérard Hopfgartner; Claude Piguet; Jean-Claude G. Bünzli","Supramolecular Recognition of Heteropairs of Lanthanide Ions: A Step toward Self-Assembled Bifunctional Probes","Inorganic Chemistry","2004","43","","515","529","10.1021/ic0351996","","","0.7107","MoKα","","0.3017","0.1137","","","0.2491","0.3609","","","","","","0.874","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310481","14.808","0.007","26.371","0.016","37.45","0.02","90","","91.79","0.05","90","","14617","14","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C145 H154 Cl6 Lu N34 O27 Pr -","- C145 Cl6 Lu N34 O27 Pr -","- C580 Cl24 Lu4 N136 O108 Pr4 -","4","1","","Nicolas André; Thomas B. Jensen; Rosario Scopelliti; Daniel Imbert; Mourad Elhabiri; Gérard Hopfgartner; Claude Piguet; Jean-Claude G. Bünzli","Supramolecular Recognition of Heteropairs of Lanthanide Ions: A Step toward Self-Assembled Bifunctional Probes","Inorganic Chemistry","2004","43","","515","529","10.1021/ic0351996","","","0.7107","MoKα","","0.3806","0.094","","","0.1311","0.2475","","","","","","0.76","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310482","29.9011","0.001","29.9011","0.001","11.7415","0.0006","90","","90","","120","","9091.4","0.6","190","2","190","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C32 H30 Ag2 F6 N12 O8 S2 -","- C32 H30 Ag2 F6 N12 O8 S2 -","- C288 H270 Ag18 F54 N108 O72 S18 -","9","0.5","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0653","0.0372","","","0.0678","0.075","","","","","","1.04","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310483","31.3014","0.0018","31.3014","0.0018","12.7921","0.0011","90","","90","","120","","10854.3","1.3","190","2","190","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H42 Ag2 F12 N12 O4 Sb2 -","- C36 H42 Ag2 F12.0133 N12 O4 Sb2 -","- C324 H378 Ag18 F108.12 N108 O36 Sb18 -","9","0.5","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0695","0.0591","","","0.1794","0.1885","","","","","","1.059","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310484","10.4341","0.0006","15.4008","0.0009","15.8447","0.0009","77.724","0.001","77.412","0.001","78.326","0.001","2395.4","0.2","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C35.5 H39.25 Ag2 F12 N14.25 O2.25 Sb2 -","- C35.5 H39.25 Ag2 F12 N14.25 O2.25 Sb2 -","- C71 H78.5 Ag4 F24 N28.5 O4.5 Sb4 -","2","1","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.042","0.0339","","","0.0771","0.0791","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310485","15.3714","0.0014","13.522","0.0012","18.0243","0.0016","90","","114.519","0.002","90","","3408.6","0.5","190","2","190","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H30 Ag F6 N12 O2 P -","- C30 H30 Ag F6 N12 O2 P -","- C120 H120 Ag4 F24 N48 O8 P4 -","4","2","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0854","0.0694","","","0.1751","0.1853","","","","","","1.008","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310486","10.3981","0.0008","15.1727","0.0011","15.9055","0.0012","79.326","0.002","77.14","0.001","78.03","0.001","2367.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.5 H39.25 Ag2 F12 N14.25 O2.25 P2 -","- C35.5 H39.25 Ag2 F12 N14.25 O2.25 P2 -","- C71 H78.5 Ag4 F24 N28.5 O4.5 P4 -","2","1","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0614","0.0452","","","0.1146","0.119","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310487","10.282","0.0007","20.2872","0.0014","20.5518","0.0014","90","","90","","90","","4287","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H43 Ag2 B2 F8 N13 O3 -","- C36 H43 Ag2 B2 F8 N13 O3 -","- C144 H172 Ag8 B8 F32 N52 O12 -","4","1","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0435","0.0388","","","0.0913","0.0933","","","","","","1.01","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310488","12.131","0.002","19.079","0.004","9.6355","0.0019","90","","90","0.004","90","","2230.1","0.7","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Ag2 N18 O8 -","- C38 H42 Ag2 N18 O8 -","- C76 H84 Ag4 N36 O16 -","2","0.5","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0797","0.0624","","","0.1452","0.1535","","","","","","1.015","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310489","10.4348","0.0011","15.3224","0.0016","15.8339","0.0016","78.255","0.002","77.464","0.002","78.424","0.002","2386.9","0.4","190","2","190","2","","","","","","","","8","P -1","-P 1","2","","","","- C35.5 H39.25 Ag2 F12 N14.25 O2.25 P0.78 Sb1.22 -","- C35.5 H39.25 Ag2 F12 N14.25 O2.25 P0.78 Sb1.2218 -","- C71 H78.5 Ag4 F24 N28.5 O4.5 P1.56 Sb2.4436 -","2","1","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0492","0.0389","","","0.0943","0.0972","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310490","14.8013","0.0012","30.058","0.002","8.7987","0.0007","90","","92.368","0.002","90","","3911.2","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H39 Ag F6 N12 O3.5 Sb -","- C34.5 H39 Ag F6 N12 O3.5 Sb -","- C138 H156 Ag4 F24 N48 O14 Sb4 -","4","1","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0803","0.065","","","0.186","0.1986","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310491","7.912","0.003","19.622","0.007","14.308","0.005","90","","100.36","0.006","90","","2185.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cu Mn N10 O2 -","- C20 H18 Cu Mn N10 O2 -","- C80 H72 Cu4 Mn4 N40 O8 -","4","1","","Shi-bin Wang; Guang-ming Yang; Dai-zheng Liao; Li-cun Li","[Cu(L)Mn(N3)2]n: The First Complex Containing Both Macrocyclic Oxamido and Alternate (μ-1,1 and μ-1,3) Azido Bridges","Inorganic Chemistry","2004","43","","852","854","10.1021/ic030085f","","","0.71073","MoKα","","0.0697","0.0389","","","0.0706","0.0783","","","","","","1.016","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310492","9.1592","0.0006","15.9501","0.0007","20.6001","0.0013","90","","96.615","0.008","90","","2989.4","0.3","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitrosyl-bis(dimethylphosphinoethane)-N-phenylbenzylamine- molybdenum","","- C25 H44 Mo N2 O P4 -","- C25 H44 Mo N2 O P4 -","- C100 H176 Mo4 N8 O4 P16 -","4","1","","Fupei Liang; Helmut W. Schmalle; Heinz Berke","Insertion Reactions of trans-Mo(dmpe)2(H)(NO) with Imines","Inorganic Chemistry","2004","43","","993","999","10.1021/ic030139l","","","0.71073","MoKα","","0.049","0.0275","","","0.0473","0.0486","","","","","","1.03","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310493","4.9882","0.0007","12.079","0.002","14.454","0.002","107.082","0.018","98.61","0.018","97.538","0.018","808.8","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","1","","Dilovan S. Cati; Joan Ribas; Jordi Ribas-Ariño; Helen Stoeckli-Evans","Self-Assembly of CuII and NiII [2 x 2] Grid Complexes and a Binuclear CuII Complex with a New Semiflexible Substituted Pyrazine Ligand: Multiple Anion Encapsulation and Magnetic Properties","Inorganic Chemistry","2004","43","","1021","1030","10.1021/ic030174s","","","0.71073","MoKα","","0.1408","0.0766","","","0.1899","0.2149","","","","","","0.845","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310494","8.6859","0.0007","28.06","0.002","9.5334","0.0009","90","","107.894","0.01","90","","2211.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H19 Cl3 Cu2 N6 O4 -","- C18 H19 Cl3 Cu2 N6 O4 -","- C72 H76 Cl12 Cu8 N24 O16 -","4","1","","Dilovan S. Cati; Joan Ribas; Jordi Ribas-Ariño; Helen Stoeckli-Evans","Self-Assembly of CuII and NiII [2 x 2] Grid Complexes and a Binuclear CuII Complex with a New Semiflexible Substituted Pyrazine Ligand: Multiple Anion Encapsulation and Magnetic Properties","Inorganic Chemistry","2004","43","","1021","1030","10.1021/ic030174s","","","0.71073","MoKα","","0.162","0.0358","","","0.0506","0.0808","","","","","","0.503","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310495","13.046","0.002","25.712","0.005","13.187","0.003","90","","117.42","0.01","90","","3926.5","1.4","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C35 H22 F15 Os P2 S5 -","- C35 H22 F15 Os P2 S5 -","- C140 H88 F60 Os4 P8 S20 -","4","1","","Maribel Arroyo; Sylvain Bernès; Joaquín Cerón; Jordi Rius; Hugo Torrens","Insertion reactions of [M(SR)~3~(PMe~2~Ph)~2~] with CS~2~ (M = Ru, Os; R = C~6~F~4~H, C~6~F~5~). X-ray structures of [Ru(S~2~CSC~6~F~4~H-4)~2~(PMe~2~Ph)~2~], trans thiolates- M(SR)~2~(S~2~CSR)(PMe~2~Ph)~2~] (M = Ru; R = C~6~F~5~ and M = Os; R = C~6~F~4~H-4) and trans thiolate-phosphine- [Os(SC~6~F~5~)~2~(S~2~CSC~6~F~5~)(PMe~2~Ph)~2~]","Inorganic Chemistry","2004","43","","986","992","10.1021/ic034125r","","x-ray","0.71073","MoKα","","0.2362","0.0555","","","0.1336","0.2025","","","","","","0.951","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310496","10.2185","0.0007","11.217","0.0007","16.0894","0.0012","90","","106.075","0.005","90","","1772.1","0.2","298","2","298","2","","","","","","","recrystallized from hexan","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H24 F8 P2 Ru S6 -","- C30 H24 F8 P2 Ru S6 -","- C60 H48 F16 P4 Ru2 S12 -","2","0.5","","Maribel Arroyo; Sylvain Bernès; Joaquín Cerón; Jordi Rius; Hugo Torrens","Insertion reactions of [M(SR)~3~(PMe~2~Ph)~2~] with CS~2~ (M = Ru, Os; R = C~6~F~4~H, C~6~F~5~). X-ray structures of [Ru(S~2~CSC~6~F~4~H-4)~2~(PMe~2~Ph)~2~], trans thiolates- M(SR)~2~(S~2~CSR)(PMe~2~Ph)~2~] (M = Ru; R = C~6~F~5~ and M = Os; R = C~6~F~4~H-4) and trans thiolate-phosphine- [Os(SC~6~F~5~)~2~(S~2~CSC~6~F~5~)(PMe~2~Ph)~2~]","Inorganic Chemistry","2004","43","","986","992","10.1021/ic034125r","","x-ray","0.71073","MoKα","","0.0797","0.0391","","","0.0756","0.0944","","","","","","1.015","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310497","18.7424","0.0018","19.721","0.002","21.8899","0.0016","90","","93.764","0.004","90","","8073.5","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 F15 P2 Ru S5 -","- C35 H22 F15 P2 Ru S5 -","- C280 H176 F120 P16 Ru8 S40 -","8","1","","Maribel Arroyo; Sylvain Bernès; Joaquín Cerón; Jordi Rius; Hugo Torrens","Insertion reactions of [M(SR)~3~(PMe~2~Ph)~2~] with CS~2~ (M = Ru, Os; R = C~6~F~4~H, C~6~F~5~). X-ray structures of [Ru(S~2~CSC~6~F~4~H-4)~2~(PMe~2~Ph)~2~], trans thiolates- M(SR)~2~(S~2~CSR)(PMe~2~Ph)~2~] (M = Ru; R = C~6~F~5~ and M = Os; R = C~6~F~4~H-4) and trans thiolate-phosphine- [Os(SC~6~F~5~)~2~(S~2~CSC~6~F~5~)(PMe~2~Ph)~2~]","Inorganic Chemistry","2004","43","","986","992","10.1021/ic034125r","","x-ray","0.71073","MoKα","","0.0848","0.0464","","","0.0977","0.1123","","","","","","1.013","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310498","11.59","0.002","12.764","0.003","13.828","0.002","102.28","0.1","96.27","0.1","91.56","0.02","1984.2","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 F12 Os P2 S5 -","- C35 H25 F12 Os P2 S5 -","- C70 H50 F24 Os2 P4 S10 -","2","1","","Maribel Arroyo; Sylvain Bernès; Joaquín Cerón; Jordi Rius; Hugo Torrens","Insertion reactions of [M(SR)~3~(PMe~2~Ph)~2~] with CS~2~ (M = Ru, Os; R = C~6~F~4~H, C~6~F~5~). X-ray structures of [Ru(S~2~CSC~6~F~4~H-4)~2~(PMe~2~Ph)~2~], trans thiolates- M(SR)~2~(S~2~CSR)(PMe~2~Ph)~2~] (M = Ru; R = C~6~F~5~ and M = Os; R = C~6~F~4~H-4) and trans thiolate-phosphine- [Os(SC~6~F~5~)~2~(S~2~CSC~6~F~5~)(PMe~2~Ph)~2~]","Inorganic Chemistry","2004","43","","986","992","10.1021/ic034125r","","x-ray","0.71073","MoKα","","0.1084","0.0398","","","0.0809","0.0994","","","","","","1.008","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310499","14.855","0.002","12.647","0.004","5.9688","0.0009","90","","98.37","0.01","90","","1109.4","0.4","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H11 Cu N5 O -","- C9 H11 Cu N5 O -","- C36 H44 Cu4 N20 O4 -","4","1","","Subratanath Koner; Sandip Saha; Tallal Mallah; Ken-Ichi Okamoto","Unprecedented Low Cu-N(azide)-Cu Angles in End-On Double Azido Bridged Copper(II) Complex","Inorganic Chemistry","2004","43","","840","842","10.1021/ic034347p","","","0.7107","MoKα","","","0.0358","","","","0.1251","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310500","29.018","0.004","8.5822","0.0008","19.133","0.002","90","","113.628","0.005","90","","4365.4","0.9","293.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N0.5 Ni0.5 S6 -","- C18 H26 N0.5 Ni0.5 S6 -","- C144 H208 N4 Ni4 S48 -","8","1","","Emiko Fujiwara; Akiko Kobayashi; Hideki Fujiwara; Hayao Kobayashi","Syntheses, Structures, and Physical Properties of Nickel Bis(dithiolene) Complexes Containing Tetrathiafulvalene (TTF) Units","Inorganic Chemistry","2004","43","","1122","1129","10.1021/ic034670s","","","0.7107","MoKα","","","0.0571","","","","0.0574","","","","","","1.412","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310501","18.406","0.001","9.8418","0.0005","23.444","0.002","90","","101.28","0.004","90","","4164.8","0.5","293.1","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32 H44 N Ni O4 S12 -","- C31.98 H43.96 N Ni O4 S12 -","- C127.92 H175.84 N4 Ni4 O16 S48 -","4","1","","Emiko Fujiwara; Akiko Kobayashi; Hideki Fujiwara; Hayao Kobayashi","Syntheses, Structures, and Physical Properties of Nickel Bis(dithiolene) Complexes Containing Tetrathiafulvalene (TTF) Units","Inorganic Chemistry","2004","43","","1122","1129","10.1021/ic034670s","","","0.7107","MoKα","","","0.057","","","","0.0613","","","","","","1.777","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310502","15.9685","0.0002","35.9309","0.0007","16.869","","90","","115.341","0.001","90","","8747.5","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C83 H76 Cl2 Cu2 O4.5 P6 Pt S3 -","- C83 H75.5 Cl2 Cu2 O4.5 P6 Pt S3 -","- C332 H302 Cl8 Cu8 O18 P24 Pt4 S12 -","4","1","","Yan-Dan Chen; Yong-Hai Qin; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heterotrinuclear Complexes with Pt(diimine)(dithiolate) and Metal Diphosphine as Components","Inorganic Chemistry","2004","43","","1197","1205","10.1021/ic034848a","","","0.71073","MoKα","","0.1204","0.0826","","","0.1909","0.2154","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310503","16.0518","0.0007","16.8922","0.0007","31.761","0.0013","90","","90","","90","","8612","0.6","293","2","293","2","","","","","","","","9","P c c n","-P 2ab 2ac","56","","","","- C39.25 H34.5 Cl2.5 Cu N2 O4 P2 Pt0.5 S -","- C39.25 H34 Cl2.5 Cu N2 O4 P2 Pt0.5 S -","- C314 H272 Cl20 Cu8 N16 O32 P16 Pt4 S8 -","8","1","","Yan-Dan Chen; Yong-Hai Qin; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heterotrinuclear Complexes with Pt(diimine)(dithiolate) and Metal Diphosphine as Components","Inorganic Chemistry","2004","43","","1197","1205","10.1021/ic034848a","","","0.71073","MoKα","","0.1315","0.0806","","","0.1762","0.2028","","","","","","1.243","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310504","13.005","0.0006","13.8309","0.0007","28.5804","0.0015","96.38","0.002","103.088","0.001","106.483","0.001","4716.1","0.4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C88 H83 Cl8 Cu2 N4 O10 P4 Pt S2 -","- C88 H81 Cl8 Cu2 N4 O10 P4 Pt S2 -","- C176 H162 Cl16 Cu4 N8 O20 P8 Pt2 S4 -","2","1","","Yan-Dan Chen; Yong-Hai Qin; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heterotrinuclear Complexes with Pt(diimine)(dithiolate) and Metal Diphosphine as Components","Inorganic Chemistry","2004","43","","1197","1205","10.1021/ic034848a","","","0.71073","MoKα","","0.1096","0.0761","","","0.1775","0.2134","","","","","","1.165","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310505","16.4509","0.0007","36.7809","0.0013","17.323","0.0008","90","","116.685","0.001","90","","9365.4","0.7","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C87.5 H86 Ag2 Cl3 F6 O P6 Pt S3 Sb -","- C87.5 H85 Ag2 Cl3 F6 O P6 Pt S3 Sb -","- C350 H340 Ag8 Cl12 F24 O4 P24 Pt4 S12 Sb4 -","4","1","","Yan-Dan Chen; Yong-Hai Qin; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heterotrinuclear Complexes with Pt(diimine)(dithiolate) and Metal Diphosphine as Components","Inorganic Chemistry","2004","43","","1197","1205","10.1021/ic034848a","","","0.71073","MoKα","","0.1241","0.0836","","","0.1774","0.2086","","","","","","1.248","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310506","12.9887","0.0002","14.6457","0.0002","22.3883","0.0001","92.106","0.001","106.1","","111.31","","3766.82","0.08","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C71 H61 Ag2 F12 N3 P4 Pt S2 Sb2 -","- C71 H61 Ag2 F12 N3 P4 Pt S2 Sb2 -","- C142 H122 Ag4 F24 N6 P8 Pt2 S4 Sb4 -","2","1","","Yan-Dan Chen; Yong-Hai Qin; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heterotrinuclear Complexes with Pt(diimine)(dithiolate) and Metal Diphosphine as Components","Inorganic Chemistry","2004","43","","1197","1205","10.1021/ic034848a","","","0.71073","MoKα","","0.1071","0.0687","","","0.1439","0.1717","","","","","","1.156","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310507","16.0687","0.0006","16.1028","0.0006","19.1188","0.0007","86.276","0.001","70.028","0.001","61.534","0.001","4058.6","0.3","293","2","293","2","","","","","","","","11","P -1","-P 1","2","","","","- C73 H72 Ag2 Cl0 F12 N2 O P4 Pt S2 Sb2 -","- C73 H72 Ag2 F12 N2 O P4 Pt S2 Sb2 -","- C146 H144 Ag4 F24 N4 O2 P8 Pt2 S4 Sb4 -","2","1","","Yan-Dan Chen; Yong-Hai Qin; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Luminescent Heterotrinuclear Complexes with Pt(diimine)(dithiolate) and Metal Diphosphine as Components","Inorganic Chemistry","2004","43","","1197","1205","10.1021/ic034848a","","","0.71073","MoKα","","0.1443","0.0888","","","0.1857","0.2263","","","","","","1.201","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310508","9.917","0.006","10.452","0.006","15.431","0.009","83.564","0.009","75.212","0.009","67.069","0.009","1424.1","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Ru Complex","","","- C25 H22.5 Cl2 N6 O9.5 Ru -","- C25 H22 Cl2 N6 O9.25 Ru -","- C50 H44 Cl4 N12 O18.5 Ru2 -","2","1","","Nripen Chanda; Shaikh M. Mobin; Vedavati G. Puranik; Anindya Datta; Mark Niemeyer; Goutam Kumar Lahiri","Stepwise Synthesis of [Ru(trpy)(L)(X)]n+ (trpy = 2,2':6',2''-Terpyridine; L = 2,2'-Dipyridylamine; X = Cl-, H2O, NO2-, NO+, O2-). Crystal Structure, Spectral, Electron-Transfer, and Photophysical Aspects","Inorganic Chemistry","2004","43","","1056","1064","10.1021/ic034902n","","","0.71073","MoKα","","0.0716","0.0571","","","0.1468","0.1577","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310509","12.537","0.004","14.545","0.005","14.499","0.007","90","","114.98","0.03","90","","2396.6","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl2 N6 O4 Ru -","- C25 H20 Cl2 N6 O4 Ru -","- C100 H80 Cl8 N24 O16 Ru4 -","4","1","","Nripen Chanda; Shaikh M. Mobin; Vedavati G. Puranik; Anindya Datta; Mark Niemeyer; Goutam Kumar Lahiri","Stepwise Synthesis of [Ru(trpy)(L)(X)]n+ (trpy = 2,2':6',2''-Terpyridine; L = 2,2'-Dipyridylamine; X = Cl-, H2O, NO2-, NO+, O2-). Crystal Structure, Spectral, Electron-Transfer, and Photophysical Aspects","Inorganic Chemistry","2004","43","","1056","1064","10.1021/ic034902n","","","0.71073","MoKα","","0.0986","0.0685","","","0.1786","0.1969","","","","","","1.234","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310510","12.601","0.0011","14.918","0.0009","14.36","0.002","90","0.008","115.326","0.009","90","0.006","2440","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl N7 O6 Ru -","- C25 H20 Cl N7 O6 Ru -","- C100 H80 Cl4 N28 O24 Ru4 -","4","1","","Nripen Chanda; Shaikh M. Mobin; Vedavati G. Puranik; Anindya Datta; Mark Niemeyer; Goutam Kumar Lahiri","Stepwise Synthesis of [Ru(trpy)(L)(X)]n+ (trpy = 2,2':6',2''-Terpyridine; L = 2,2'-Dipyridylamine; X = Cl-, H2O, NO2-, NO+, O2-). Crystal Structure, Spectral, Electron-Transfer, and Photophysical Aspects","Inorganic Chemistry","2004","43","","1056","1064","10.1021/ic034902n","","","0.7093","MoKα","","0.0332","0.0262","","","0.0581","0.0623","","","","","","1.058","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310511","18.28","0.002","14.707","0.0012","12.717","0.0011","90","","90","","90","","3418.9","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Ru Complex","","","- C27 H24 Cl3 N8 O13.5 Ru -","- C27 H23 Cl3 N8 O13.5 Ru -","- C108 H92 Cl12 N32 O54 Ru4 -","4","1","","Nripen Chanda; Shaikh M. Mobin; Vedavati G. Puranik; Anindya Datta; Mark Niemeyer; Goutam Kumar Lahiri","Stepwise Synthesis of [Ru(trpy)(L)(X)]n+ (trpy = 2,2':6',2''-Terpyridine; L = 2,2'-Dipyridylamine; X = Cl-, H2O, NO2-, NO+, O2-). Crystal Structure, Spectral, Electron-Transfer, and Photophysical Aspects","Inorganic Chemistry","2004","43","","1056","1064","10.1021/ic034902n","","","0.7093","MoKα","","0.0884","0.0563","","","0.1089","0.1273","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310512","10.477","0.002","13.534","0.003","14.481","0.003","65.439","0.003","84.935","0.004","85.614","0.004","1858.5","0.7","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H35 Cl2 N9 O Pd -","- C40 H35 Cl2 N9 O Pd -","- C80 H70 Cl4 N18 O2 Pd2 -","2","1","","Corey Seward; Wen-li Jia; Rui-Yao Wang; Suning Wang","Palladium(II) Complexes of Bowls, Pinwheels, Cages, and N,C,N-Pincers of Starburst Ligands 1,3,5-Tris(di-2-pyridylamino)benzene and 2,4,6-Tris(di-2-pyridylamino)-1,3,5-triazene","Inorganic Chemistry","2004","43","","978","985","10.1021/ic034934a","","","0.71073","MoKα","","0.1569","0.0506","","","0.0712","0.0881","","","","","","0.674","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310513","10.004","0.002","21.863","0.006","12.034","0.003","90","","96.205","0.005","90","","2616.6","1.1","294","2","294","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28.5 H25.5 Cl3 N4.5 Pd1.5 -","- C27 H13.5 Cl3 N4.5 Pd1.5 -","- C108 H54 Cl12 N18 Pd6 -","4","1","","Corey Seward; Wen-li Jia; Rui-Yao Wang; Suning Wang","Palladium(II) Complexes of Bowls, Pinwheels, Cages, and N,C,N-Pincers of Starburst Ligands 1,3,5-Tris(di-2-pyridylamino)benzene and 2,4,6-Tris(di-2-pyridylamino)-1,3,5-triazene","Inorganic Chemistry","2004","43","","978","985","10.1021/ic034934a","","","0.71073","MoKα","","0.1473","0.0583","","","0.1337","0.1566","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310514","16.007","0.003","15.583","0.003","16.207","0.003","90","","97.112","0.004","90","","4011.5","1.3","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 N9 O2 Pd -","- C45 H37 N9 O2 Pd -","- C180 H148 N36 O8 Pd4 -","4","1","","Corey Seward; Wen-li Jia; Rui-Yao Wang; Suning Wang","Palladium(II) Complexes of Bowls, Pinwheels, Cages, and N,C,N-Pincers of Starburst Ligands 1,3,5-Tris(di-2-pyridylamino)benzene and 2,4,6-Tris(di-2-pyridylamino)-1,3,5-triazene","Inorganic Chemistry","2004","43","","978","985","10.1021/ic034934a","","","0.71073","MoKα","","0.109","0.0462","","","0.0991","0.1173","","","","","","0.871","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310515","14.678","0.004","28.666","0.008","29.93","0.007","90","","100.918","0.007","90","","12365","6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.78 H54.67 Cl1.78 N10.67 O12.22 Pd2.67 -","- C51.7778 H36.4444 Cl1.77778 N10.6667 O12.2222 Pd2.66667 -","- C466 H328 Cl16 N96 O110 Pd24 -","9","2.25","","Corey Seward; Wen-li Jia; Rui-Yao Wang; Suning Wang","Palladium(II) Complexes of Bowls, Pinwheels, Cages, and N,C,N-Pincers of Starburst Ligands 1,3,5-Tris(di-2-pyridylamino)benzene and 2,4,6-Tris(di-2-pyridylamino)-1,3,5-triazene","Inorganic Chemistry","2004","43","","978","985","10.1021/ic034934a","","","0.71073","MoKα","","0.3013","0.0963","","","0.2122","0.2727","","","","","","0.86","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310516","12.611","0.006","15.569","0.007","17.267","0.008","69.253","0.008","74.993","0.009","82.484","0.01","3059","2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.22 H3.3 Cl0.11 N0.49 O0.7 Pd0.16 -","- C3.21622 H2.86486 Cl0.108108 N0.486486 O0.702703 Pd0.162162 -","- C119 H106 Cl4 N18 O26 Pd6 -","37","18.5","","Corey Seward; Wen-li Jia; Rui-Yao Wang; Suning Wang","Palladium(II) Complexes of Bowls, Pinwheels, Cages, and N,C,N-Pincers of Starburst Ligands 1,3,5-Tris(di-2-pyridylamino)benzene and 2,4,6-Tris(di-2-pyridylamino)-1,3,5-triazene","Inorganic Chemistry","2004","43","","978","985","10.1021/ic034934a","","","0.71073","MoKα","","0.1261","0.0512","","","0.0882","0.1039","","","","","","0.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310517","11.225","0.0003","9.383","0.0003","15.307","0.0005","90","","106.414","0.0013","90","","1546.49","0.08","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B2 N P -","- C14 H22 B2 N P -","- C56 H88 B8 N4 P4 -","4","1","","Cory A. Jaska; Alan J. Lough; Ian Manners","Linear Hybrid Aminoborane/Phosphinoborane Chains: Synthesis, Proton-Hydride Interactions, and Thermolysis Behavior","Inorganic Chemistry","2004","43","","1090","1099","10.1021/ic034938f","","","0.71073","MoKα","","0.0504","0.0373","","","0.0913","0.0982","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310518","11.9203","0.0002","9.6239","0.0003","28.7897","0.0007","90","","90","","90","","3302.75","0.14","150","1","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 B2 N P -","- C15 H24 B2 N P -","- C120 H192 B16 N8 P8 -","8","1","","Cory A. Jaska; Alan J. Lough; Ian Manners","Linear Hybrid Aminoborane/Phosphinoborane Chains: Synthesis, Proton-Hydride Interactions, and Thermolysis Behavior","Inorganic Chemistry","2004","43","","1090","1099","10.1021/ic034938f","","","0.71073","MoKα","","0.0684","0.0405","","","0.0914","0.1038","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310519","6.7219","0.0003","21.273","0.0001","8.4366","0.0005","90","","102.033","0.002","90","","1179.88","0.09","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 B2 P2 -","- C26 H28 B2 P2 -","- C52 H56 B4 P4 -","2","0.5","","Cory A. Jaska; Alan J. Lough; Ian Manners","Linear Hybrid Aminoborane/Phosphinoborane Chains: Synthesis, Proton-Hydride Interactions, and Thermolysis Behavior","Inorganic Chemistry","2004","43","","1090","1099","10.1021/ic034938f","","","0.71073","MoKα","","0.0587","0.0422","","","0.0981","0.1082","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310520","26.808","0.006","47.57","0.006","10.818","0.002","90","","90","","90","","13796","4","293","2","293","2","","","","","","","","6","C c c b :2","-C 2a 2c","68","","","","- C26 H48 Cu N2 O9 P2 -","- C26 H46 Cu N2 O9.5 P2 -","- C416 H736 Cu16 N32 O152 P32 -","16","1","","Ramaswamy Murugavel; Malaichamy Sathiyendiran; Ramasamy Pothiraja; Mrinalini G. Walawalkar; Talal Mallah; Eric Riviére","Monomeric, Tetrameric, and Polymeric Copper Di-tert-butyl Phosphate Complexes Containing Pyridine Ancillary Ligands","Inorganic Chemistry","2004","43","","945","953","10.1021/ic0349508","","","0.71073","MoKα","","0.2797","0.1084","","","0.308","0.3953","","","","","","1.083","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310521","22.741","0.002","16.6507","0.001","22.6728","0.0011","90","","94.14","0.06","90","","8562.7","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H120 Cu4 N2 O26 P6 -","- C58 H120 Cu4 N2 O26 P6 -","- C232 H480 Cu16 N8 O104 P24 -","4","0.5","","Ramaswamy Murugavel; Malaichamy Sathiyendiran; Ramasamy Pothiraja; Mrinalini G. Walawalkar; Talal Mallah; Eric Riviére","Monomeric, Tetrameric, and Polymeric Copper Di-tert-butyl Phosphate Complexes Containing Pyridine Ancillary Ligands","Inorganic Chemistry","2004","43","","945","953","10.1021/ic0349508","","","0.71073","MoKα","","0.1114","0.0602","","","0.1541","0.1765","","","","","","1.025","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310522","19.961","0.003","19.961","0.003","19.041","0.004","90","","90","","90","","7587","2","203","2","203","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C32 H58 Cu N2 O8 P2 -","- C32 H58 Cu N2 O8 P2 -","- C256 H464 Cu8 N16 O64 P16 -","8","0.5","","Ramaswamy Murugavel; Malaichamy Sathiyendiran; Ramasamy Pothiraja; Mrinalini G. Walawalkar; Talal Mallah; Eric Riviére","Monomeric, Tetrameric, and Polymeric Copper Di-tert-butyl Phosphate Complexes Containing Pyridine Ancillary Ligands","Inorganic Chemistry","2004","43","","945","953","10.1021/ic0349508","","","0.71073","MoKα","","0.0449","0.0436","","","0.1123","0.1139","","","","","","1.092","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310523","12.287","0.002","16.181","0.004","15.631","0.002","90","","108.46","0.01","90","","2947.8","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71069","MoKα","","0.1178","0.0742","","","0.2106","0.2536","","","","","","1.043","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310524","12.278","0.003","15.845","0.003","15.782","0.003","84.86","0.01","87.11","0.01","74.1","0.01","2939.9","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","2","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.2392","0.0857","","","0.167","0.2284","","","","","","0.985","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310525","10.231","0.001","11.104","0.002","13.751","0.002","102.93","0.01","95.17","0.01","102.72","0.01","1469.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C42 H38 Cu2 F24 N8 O12 -","2","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.0564","0.0468","","","0.13","0.1392","","","","","","1.038","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310526","10.202","0.001","10.885","0.002","13.61","0.002","103","0.01","96.03","0.01","102.63","0.01","1418","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C42 H38 Cu2 F24 N8 O12 -","2","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.0463","0.038","","","0.0999","0.1055","","","","","","1.019","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310527","10.19","0.012","10.848","0.006","13.395","0.006","102.56","0.02","96.54","0.05","102.59","0.06","1390","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C42 H38 Cu2 F24 N8 O12 -","2","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.0994","0.0814","","","0.1981","0.2208","","","","","","2.316","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310528","10.253","0.004","37.649","0.012","15.411","0.006","90","","103.23","0.02","90","","5791","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C168 H152 Cu8 F96 N32 O48 -","8","2","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.0637","0.0539","","","0.1815","0.1923","","","","","","1.559","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310529","10.189","0.003","36.981","0.011","15.147","0.004","90","","103.52","0.02","90","","5549","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C168 H152 Cu8 F96 N32 O48 -","8","2","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.0355","0.0333","","","0.0833","0.0849","","","","","","1.077","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310530","22.715","0.003","22.715","0.003","64.199","0.013","90","","90","","120","","28687","8","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C22.25 H19 Cu F12 N4 O6 -","- C24 H19 Cu F12 N4 O6 -","- C864 H684 Cu36 F432 N144 O216 -","36","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.2361","0.0773","","","0.1763","0.248","","","","","","0.91","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310531","22.581","0.003","22.581","0.003","64.185","0.013","90","","90","","120","","28343","8","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21.5 H20 Cl Cu F12 N4 O6 -","- C21.5 H20 Cl Cu F12 N4 O6 -","- C774 H720 Cl36 Cu36 F432 N144 O216 -","36","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.2569","0.0845","","","0.1981","0.2479","","","","","","0.621","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310532","13.056","0.002","22.239","0.003","18.4","0.003","90","","106.58","0.01","90","","5120.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H47.5 Cu F12 N8 O8 -","- C42.5 H47.5 Cu F12 N8 O8 -","- C170 H190 Cu4 F48 N32 O32 -","4","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71069","MoKα","","0.2445","0.0443","","","0.1149","0.2127","","","","","","0.381","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310533","12.397","0.003","13.742","0.003","14.988","0.003","95.69","0.03","105.77","0.03","114.51","0.03","2169.4","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H52 Cu3 F36 N8 O16 -","- C64 H52 Cu3 F36 N8 O16 -","- C64 H52 Cu3 F36 N8 O16 -","1","0.5","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.0952","0.0683","","","0.1875","0.2124","","","","","","1.023","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310534","12.383","0.003","13.824","0.003","15.057","0.003","95.2","0.03","106.85","0.03","113.14","0.03","2206.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Cu3 F36 N8 O16 -","- C66 H56 Cu3 F36 N8 O16 -","- C66 H56 Cu3 F36 N8 O16 -","1","0.5","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.1021","0.0694","","","0.1941","0.2234","","","","","","1.015","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310535","13.622","0.006","15","0.007","21.641","0.006","75.02","0.03","83.82","0.04","83.2","0.02","4228","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H54 Cu3 F36 N8 O16 -","- C58 H40 Cu3 F36 N8 O16 -","- C116 H80 Cu6 F72 N16 O32 -","2","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71069","MoKα","","0.2694","0.0567","","","0.1667","0.319","","","","","","0.35","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310536","12.462","0.003","13.527","0.003","14.963","0.003","96.9","0.03","104.2","0.03","115.9","0.03","2123.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 Cu3 F36 N8 O16 -","- C60 H58 Cu3 F36 N8 O16 -","- C60 H58 Cu3 F36 N8 O16 -","1","0.5","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71073","MoKα","","0.11","0.0755","","","0.2067","0.234","","","","","","1.056","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310537","13.962","0.004","18.806","0.005","18.556","0.005","90","","98.66","0.02","90","","4817","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cu2 F24 N4 O10 -","- C34 H28 Cu2 F24 N4 O10 -","- C136 H112 Cu8 F96 N16 O40 -","4","1","","Sergei Fokin; Victor Ovcharenko; Galina Romanenko; Vladimir Ikorskii","Problem of a Wide Variety of Products in the Cu(hfac)2-Nitroxide System","Inorganic Chemistry","2004","43","","969","977","10.1021/ic034964d","","","0.71069","MoKα","","0.0662","0.0662","","","0.1926","0.1926","","","","","","1.154","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310538","3.7913","0.0008","12.4117","0.0018","9.1125","0.0013","90","","91.49","0.02","90","","428.66","0.13","200","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ammonium dicyanamide","ammonium dicyanamide","","- C2 H4 N4 -","- C2 H4 N4 -","- C8 H16 N16 -","4","1","","Bettina V. Lotsch; Jürgen Senker; Wolfgang Schnick","Characterization of the Thermally Induced Topochemical Solid-State Transformation of NH4[N(CN)2] into NCNC(NH2)2 by Means of X-ray and Neutron Diffraction as Well as Raman and Solid-State NMR Spectroscopy","Inorganic Chemistry","2004","43","","895","904","10.1021/ic034984f","","","0.71073","MoKα","","0.0496","0.0357","","","0.0912","0.1","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310539","7.416","0.003","8.207","0.003","14.137","0.005","100.333","0.007","105.013","0.006","94.547","0.006","810.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl6 Cu2 N4 O8 S -","- C22 H22 Cl6 Cu2 N4 O8 S2 -","- C22 H22 Cl6 Cu2 N4 O8 S2 -","1","0.5","","Zheng Huang; Hai-Bin Song; Miao Du; Shen-Tan Chen; Xian-He Bu; Joan Ribas","Coordination Polymers Assembled from Angular Dipyridyl Ligands and CuII, CdII, CoII Salts: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","931","944","10.1021/ic034999d","","","0.71073","MoKα","","0.0725","0.0528","","","0.1282","0.1413","","","","","","1.03","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310540","28.07","0.008","9.289","0.003","15.235","0.004","90","","113.537","0.005","90","","3641.9","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H8.5 Cl1.5 Cu N6 O6 S -","- C12.5 H8.5 Cl1.5 Cu N6 O6 S -","- C100 H68 Cl12 Cu8 N48 O48 S8 -","8","1","","Zheng Huang; Hai-Bin Song; Miao Du; Shen-Tan Chen; Xian-He Bu; Joan Ribas","Coordination Polymers Assembled from Angular Dipyridyl Ligands and CuII, CdII, CoII Salts: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","931","944","10.1021/ic034999d","","","0.71073","MoKα","","0.0698","0.042","","","0.0977","0.1101","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310541","5.509","0.002","10.545","0.004","29.399","0.011","90","","90","","90","","1707.9","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cu N4 O7 S2 -","- C12 H8 Cu N4 O7 S2 -","- C48 H32 Cu4 N16 O28 S8 -","4","1","","Zheng Huang; Hai-Bin Song; Miao Du; Shen-Tan Chen; Xian-He Bu; Joan Ribas","Coordination Polymers Assembled from Angular Dipyridyl Ligands and CuII, CdII, CoII Salts: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","931","944","10.1021/ic034999d","","","0.71073","MoKα","","0.0429","0.0374","","","0.1088","0.1172","","","","","","1.256","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310542","28.408","0.01","9.997","0.005","7.358","0.004","90","","99.013","0.008","90","","2063.8","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H14 Cd N6 O1.5 S3 -","- C15.5 H14 Cd N6 O1.5 S3 -","- C62 H56 Cd4 N24 O6 S12 -","4","0.5","","Zheng Huang; Hai-Bin Song; Miao Du; Shen-Tan Chen; Xian-He Bu; Joan Ribas","Coordination Polymers Assembled from Angular Dipyridyl Ligands and CuII, CdII, CoII Salts: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","931","944","10.1021/ic034999d","","","0.71073","MoKα","","0.0486","0.0299","","","0.0748","0.0973","","","","","","1.103","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310543","22.21","0.005","12.899","0.003","20.232","0.004","90","","90","","90","","5796","2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C26 H21 Co N10 O2.5 S4 -","- C26 H16 Co N10 O2.54 S4 -","- C104 H64 Co4 N40 O10.16 S16 -","4","0.5","","Zheng Huang; Hai-Bin Song; Miao Du; Shen-Tan Chen; Xian-He Bu; Joan Ribas","Coordination Polymers Assembled from Angular Dipyridyl Ligands and CuII, CdII, CoII Salts: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","931","944","10.1021/ic034999d","","","0.71073","MoKα","","0.1184","0.0639","","","0.1747","0.2145","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310544","8.12","0.003","9.829","0.004","17.453","0.006","90","","103.307","0.006","90","","1355.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Co N10 O2 S2 -","- C26 H16 Co N10 O2 S2 -","- C52 H32 Co2 N20 O4 S4 -","2","0.5","","Zheng Huang; Hai-Bin Song; Miao Du; Shen-Tan Chen; Xian-He Bu; Joan Ribas","Coordination Polymers Assembled from Angular Dipyridyl Ligands and CuII, CdII, CoII Salts: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","931","944","10.1021/ic034999d","","","0.71073","MoKα","","0.0933","0.0475","","","0.0807","0.092","","","","","","1.064","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310545","23.657","0.005","11.322","0.002","23.208","0.005","90","","109.16","0.03","90","","5872","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni2(m-dppm)2(m-CNterBu)(CNterBu)2","(μ~2~-terbutylisocianide)bis(terbutylisocianide) (bis(μ~2~-bis(diphenylphosphino) methane)-di-nickel","","- C65 H71 N3 Ni2 P4 -","- C65.332 H66.68 N3 Ni2 P4 -","- C261.328 H266.72 N12 Ni8 P16 -","4","0.5","","Gregory M. Ferrence; Eugenio Simón-Manso; Brian K. Breedlove; Leah Meeuwenberg; Clifford P. Kubiak","Structural, Spectroscopic, and Electrochemical Studies of the Complexes [Ni2(μ-CNR)(CNR)2(μ-dppm)2]n+ (n= 0, 1, 2): Unusual Examples of Nickel(0)-Nickel(I) and Nickel(0)-Nickel(II) Mixed Valency","Inorganic Chemistry","2004","43","","1071","1081","10.1021/ic035021j","","","0.71073","MoKα","","0.0362","0.0324","","","0.087","0.0887","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310546","10.6578","0.0007","13.3188","0.0009","13.5122","0.0006","103.439","0.003","101.316","0.003","110.051","0.003","1670.64","0.18","193","","193","","","","","","","","","7","P 1","P 1","1","","(μ~2~-terbutylisocianide)bis(terbutylisocianide) (bis(μ~2~-bis(diphenylphosphino) methane)-di-nickel hexafluorophosphate","","- C66 H73 Cl2 F6 N3 Ni2 P5 -","- C66 H73 Cl2 F6 N3 Ni2 P5 -","- C66 H73 Cl2 F6 N3 Ni2 P5 -","1","1","","Gregory M. Ferrence; Eugenio Simón-Manso; Brian K. Breedlove; Leah Meeuwenberg; Clifford P. Kubiak","Structural, Spectroscopic, and Electrochemical Studies of the Complexes [Ni2(μ-CNR)(CNR)2(μ-dppm)2]n+ (n= 0, 1, 2): Unusual Examples of Nickel(0)-Nickel(I) and Nickel(0)-Nickel(II) Mixed Valency","Inorganic Chemistry","2004","43","","1071","1081","10.1021/ic035021j","","","0.71073","MO-Kα","","","0.047","","","","0.115","","","","","","1.03","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310547","22.05","0.01","16.34","0.01","40.28","0.03","90","","102.58","0.05","90","","14164","15","186","2","186","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ni2(m-dppm)2(m-CNterBu)(CNterBu)2(PF6)2","(μ~2~-terbutylisocianide)bis(terbutylisocianide) (bis(μ~2~-bis(diphenylphosphino) methane)-di-nickel bis(hexafluorophosphate)","","- C66 H74 Cl2 F12 N3 Ni2 P6 -","- C66 H74 Cl2 F12 N3 Ni2 P6 -","- C528 H592 Cl16 F96 N24 Ni16 P48 -","8","1","","Gregory M. Ferrence; Eugenio Simón-Manso; Brian K. Breedlove; Leah Meeuwenberg; Clifford P. Kubiak","Structural, Spectroscopic, and Electrochemical Studies of the Complexes [Ni2(μ-CNR)(CNR)2(μ-dppm)2]n+ (n= 0, 1, 2): Unusual Examples of Nickel(0)-Nickel(I) and Nickel(0)-Nickel(II) Mixed Valency","Inorganic Chemistry","2004","43","","1071","1081","10.1021/ic035021j","","","0.71073","MoKα","","0.0812","0.0601","","0.1679","0.1417","","","","1.049","1.091","1.091","","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310548","21.4008","0.0016","12.91","0.001","23.69","0.0018","90","","106.695","0.001","90","","6269.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni2(m-dppm)2(m-CN-Xylyl)(m-CN-Xylyl)2","(μ~2~-Xylylisocianide)bis(Xylylisocianide) (bis(μ~2~-bis(diphenylphosphino) methane)-di-nickel","","- C77 H71 N3 Ni2 P4 -","- C77 H71 N3 Ni2 P4 -","- C308 H284 N12 Ni8 P16 -","4","0.5","","Gregory M. Ferrence; Eugenio Simón-Manso; Brian K. Breedlove; Leah Meeuwenberg; Clifford P. Kubiak","Structural, Spectroscopic, and Electrochemical Studies of the Complexes [Ni2(μ-CNR)(CNR)2(μ-dppm)2]n+ (n= 0, 1, 2): Unusual Examples of Nickel(0)-Nickel(I) and Nickel(0)-Nickel(II) Mixed Valency","Inorganic Chemistry","2004","43","","1071","1081","10.1021/ic035021j","","","0.71073","MoKα","","0.0429","0.036","","","0.0918","0.0962","","","","","","1.019","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310549","13.8173","0.0016","23.585","0.003","23.519","0.003","90","","100.956","0.002","90","","7524.7","1.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni2(m-dppm)2(m-CN-Xylyl)(m-CN-Xylyl)2](PF6)2xTHF","(μ~2~-Xylylisocianide)bis(Xylylisocianide) (bis(μ~2~-bis(diphenylphosphino) methane)-di-nickel bis(hexaflurophosphate)","","- C81 H79 F12 N3 Ni2 O P6 -","- C81 H79 F12 N3 Ni2 O P6 -","- C324 H316 F48 N12 Ni8 O4 P24 -","4","1","","Gregory M. Ferrence; Eugenio Simón-Manso; Brian K. Breedlove; Leah Meeuwenberg; Clifford P. Kubiak","Structural, Spectroscopic, and Electrochemical Studies of the Complexes [Ni2(μ-CNR)(CNR)2(μ-dppm)2]n+ (n= 0, 1, 2): Unusual Examples of Nickel(0)-Nickel(I) and Nickel(0)-Nickel(II) Mixed Valency","Inorganic Chemistry","2004","43","","1071","1081","10.1021/ic035021j","","","0.71073","MoKα","","0.0812","0.0621","","","0.1627","0.1718","","","","","","0.978","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310550","15.5421","0.001","15.5421","0.001","9.8885","0.0009","90","","90","","90","","2388.6","0.3","223","2","223","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C50 H42 Cl F8 N8 Ru2 -","- C47.6 H36.4 Cl F8 N8 Ru2 -","- C95.2 H72.8 Cl2 F16 N16 Ru4 -","2","0.25","","Karl M. Kadish; Tuan D. Phan; Lingamallu Giribabu; Jianguo Shao; Li-Lun Wang; Antoine Thuriere; Eric Van Caemelbecke; John L. Bear","Electrochemical and Spectroelectrochemical Characterization of Ru24+ and Ru23+ Complexes under a CO Atmosphere","Inorganic Chemistry","2004","43","","1012","1020","10.1021/ic035026g","","","0.71073","MoKα","","0.0513","0.0339","","","0.0897","0.1062","","","","","","1.119","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310551","6.7351","0.0009","7.554","0.001","27.455","0.004","90","","90","","90","","1396.8","0.3","293","0.2","293","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Barium Niobium Tellurium Oxide Phosphate","","- Ba Nb O8 P Te -","- Ba Nb O8 P Te -","- Ba8 Nb8 O64 P8 Te8 -","8","1","","Kang Min Ok; Joseph Orzechowski; P. Shiv Halasyamani","Synthesis, Structure, and Characterization of Two New Layered Mixed-Metal Phosphates, BaTeMO4(PO4) (M = Nb5+ or Ta5+)","Inorganic Chemistry","2004","43","","964","968","10.1021/ic0350335","","","0.71073","MoKα","","0.0503","0.0285","","","0.0465","0.0506","","","","","","0.941","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310552","18.874","0.004","8.6297","0.0017","19.207","0.004","90","","109.01","0.03","90","","2957.8","1.2","135","2","135","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","iPr-L-DBF-H2","","","- C30 H46 N4 O2 -","- C30 H46 N4 O2 -","- C120 H184 N16 O8 -","4","0.5","","Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn","Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes","Inorganic Chemistry","2004","43","","1159","1166","10.1021/ic035035p","","","0.71073","MoKα","","0.091","0.0592","","","0.162","0.177","","","","","","1.038","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310553","10.272","0.002","19.329","0.004","13.991","0.003","90","","96.24","0.03","90","","2761.4","1","134","2","134","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","iPr-L-Xan-H2","","","- C29 H42 N4 O -","- C29 H42 N4 O -","- C116 H168 N16 O4 -","4","1","","Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn","Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes","Inorganic Chemistry","2004","43","","1159","1166","10.1021/ic035035p","","","0.71073","MoKα","","0.0832","0.0475","","","0.1153","0.1325","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310554","10.8708","0.001","14.0678","0.0014","14.1881","0.0013","106.247","0.002","92.611","0.003","111.536","0.002","1910.8","0.3","140","2","140","2","","","","","","","","4","P -1","-P 1","2","Ph,Mes-L-DBF-H2acetone","","","- C47 H46 N4 O2 -","- C47 H46 N4 O2 -","- C94 H92 N8 O4 -","2","1","","Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn","Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes","Inorganic Chemistry","2004","43","","1159","1166","10.1021/ic035035p","","","0.71073","MoKα","","0.1197","0.0614","","","0.1454","0.1719","","","","","","0.923","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4310555","10.8509","0.0004","12.2178","0.0004","14.1196","0.0005","72.503","0.001","82.427","0.001","68.324","0.001","1658.59","0.1","144","2","144","2","","","","","","","","5","P -1","-P 1","2","(iPr-L-DBF)Al2Me4 (3)","","","- C30 H46 Al2 N4 O -","- C30 H46 Al2 N4 O -","- C60 H92 Al4 N8 O2 -","2","1","","Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn","Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes","Inorganic Chemistry","2004","43","","1159","1166","10.1021/ic035035p","","","0.71073","MoKα","","0.0841","0.0643","","","0.1729","0.1904","","","","","","1.022","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310556","21.1468","0.0013","11.5004","0.0007","29.858","0.0017","90","","97.293","0.001","90","","7202.6","0.7","136","2","136","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(iPr-L-Xan)Al2Me4 (4)","","","- C33 H52 Al2 N4 O -","- C33 H52 Al2 N4 O -","- C264 H416 Al16 N32 O8 -","8","1","","Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn","Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes","Inorganic Chemistry","2004","43","","1159","1166","10.1021/ic035035p","","","0.71073","MoKα","","0.0662","0.0448","","","0.1115","0.1202","","","","","","1.032","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310557","9.348","0.002","12.654","0.002","28.525","0.005","90","","90","","90","","3374.2","1.1","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C52 H40 Cl18 Mn4 N8 O10 -","- C52 H40 Cl18 Mn4 N8 O10 -","- C104 H80 Cl36 Mn8 N16 O20 -","2","0.25","","Nizamuddin Shaikh; Anangamohan Panja; Sanchita Goswami; Pradyot Banerjee; Pavel Vojtíšek; Yuan-Zhu Zhang; Gang Su; Song Gao","Slow Magnetic Relaxation in a Mixed-Valence Mn(II/III) Complex: [MnII2(bispicen)2(μ3-Cl)2MnIII(Cl4Cat)2MnIII(Cl4Cat)2(H2O)2]∞","Inorganic Chemistry","2004","43","","849","851","10.1021/ic035072g","","","0.7107","MoKα","","0.0348","0.0326","","","0.0864","0.0885","","","","","","1.057","","","","has coordinates","288183","2023-12-08","14:42:54",""
"4310558","12.565","0.004","12.565","0.004","32.192","0.015","90","","90","","90","","5082","3","203","2","203","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H32 I3 Lu O4 -","- C12 H32 I3 Lu O4 -","- C96 H256 I24 Lu8 O32 -","8","0.5","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott","Auto-ionization in Lutetium Iodide Complexes: Effect of the Ionic Radius on Lanthanide-Iodide Binding","Inorganic Chemistry","2004","43","","1065","1070","10.1021/ic035090y","","","0.71073","MoKα","","0.026","0.0251","","","0.057","0.0573","","","","","","1.567","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310559","16.993","0.009","13.044","0.007","14.664","0.011","90","","90","","90","","3250","3","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 I2 Lu N5 O -","- C28 H32 I2 Lu N5 O -","- C112 H128 I8 Lu4 N20 O4 -","4","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott","Auto-ionization in Lutetium Iodide Complexes: Effect of the Ionic Radius on Lanthanide-Iodide Binding","Inorganic Chemistry","2004","43","","1065","1070","10.1021/ic035090y","","","0.71073","MoKα","","0.0397","0.0373","","","0.0901","0.0908","","","","","","1.876","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310560","26.185","0.015","15.912","0.01","16.144","0.009","90","","106.192","0.011","90","","6460","7","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 I3 Lu N5 -","- C25 I3 Lu N5 -","- C200 I24 Lu8 N40 -","8","2","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott","Auto-ionization in Lutetium Iodide Complexes: Effect of the Ionic Radius on Lanthanide-Iodide Binding","Inorganic Chemistry","2004","43","","1065","1070","10.1021/ic035090y","","","0.71073","MoKα","","0.2276","0.2192","","","0.4475","0.4486","","","","","","7.534","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310561","18.4508","0.0007","18.4508","0.0007","16.8934","0.0007","90","","90","","120","","4980.6","0.3","173","2","173","2","","","","","","","synthesis as described","6","R 3 c :H","R 3 -2""c","161","[CeCl{N(SiMe3)2}3]","","","- C18 H54 Ce Cl N3 Si6 -","- C18 H54 Ce Cl N3 Si6 -","- C108 H324 Ce6 Cl6 N18 Si36 -","6","0.333333","","Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert","Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides","Inorganic Chemistry","2004","43","","1031","1038","10.1021/ic035100v","","x-ray","0.71073","MoKα","","0.025","0.0231","","","0.0558","0.0568","","","","","","1.047","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310562","14.506","0.003","13.065","0.003","16.779","0.003","90","","113.789","0.012","90","","2909.8","1.1","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[{CeCl(thf)(N(SiMe3)2)2}2]","","","- C32 H88 Ce2 Cl2 N4 O2 Si8 -","- C32 H88 Ce2 Cl2 N4 O2 Si8 -","- C64 H176 Ce4 Cl4 N8 O4 Si16 -","2","0.5","","Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert","Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides","Inorganic Chemistry","2004","43","","1031","1038","10.1021/ic035100v","","x-ray","0.71073","MoKα","","0.0876","0.0543","","","0.1732","0.2199","","","","","","0.824","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310563","18.4113","0.0012","18.4113","0.0012","16.9631","0.0017","90","","90","","120","","4979.7","0.7","173","2","173","2","","","","","","","synthesis as described","6","R 3 c :H","R 3 -2""c","161","[CeBr(Me3SiNSiMe3)3]","","","- C18 H54 Br Ce N3 Si6 -","- C18 H54 Br Ce N3 Si6 -","- C108 H324 Br6 Ce6 N18 Si36 -","6","0.333333","","Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert","Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides","Inorganic Chemistry","2004","43","","1031","1038","10.1021/ic035100v","","x-ray","0.71073","MoKα","","0.0704","0.0435","","","0.0807","0.0892","","","","","","1.056","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310564","8.2536","0.0007","9.4157","0.0005","15.5935","0.0014","79.009","0.005","87.29","0.003","74.835","0.005","1148.17","0.16","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[CeBr3(thf)4]","","","- C16 H32 Br3 Ce O4 -","- C16 H32 Br3 Ce O4 -","- C32 H64 Br6 Ce2 O8 -","2","1","","Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert","Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides","Inorganic Chemistry","2004","43","","1031","1038","10.1021/ic035100v","","x-ray","0.71073","MoKα","","0.0841","0.0601","","","0.1383","0.1534","","","","","","1.042","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310565","14.9421","0.0004","11.8134","0.0005","15.8317","0.0007","90","","92.185","0.003","90","","2792.53","0.19","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","[CeBr2{N(SiMe3)2}(thf)3]","","","- C18 H42 Br2 Ce N O3 Si2 -","- C18 H42 Br2 Ce N O3 Si2 -","- C72 H168 Br8 Ce4 N4 O12 Si8 -","4","1","","Peter B. Hitchcock; Alexander G. Hulkes; Michael F. Lappert","Oxidation in Nonclassical Organolanthanide Chemistry: Synthesis, Characterization, and X-ray Crystal Structures of Cerium(III) and -(IV) Amides","Inorganic Chemistry","2004","43","","1031","1038","10.1021/ic035100v","","x-ray","0.71073","MoKα","","0.0449","0.0329","","","0.0707","0.0754","","","","","","1.039","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310566","13.63","0.01","14.167","0.011","16.393","0.012","80.885","0.015","82.382","0.015","78.95","0.014","3050","4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H67 Cl4 N3 O6 Pd3 S2 -","- C57 H67 Cl4 N3 O6 Pd3 S2 -","- C114 H134 Cl8 N6 O12 Pd6 S4 -","2","1","","Pablo Espinet; Celia Hernández; José M. Martín-Alvarez; Jesús A. Miguel","Formation of Trinuclear Palladium Orthometalated Complexes with Unprecedented Asymmetrical (μ3-S)(μ3-X) Bridges (X = OH, SR, O2CR) from μ2-Hydroxo Dimeric Complexes and CS2","Inorganic Chemistry","2004","43","","843","845","10.1021/ic0351085","","","0.71073","MoKα","","0.0897","0.0578","","","0.1501","0.17","","","","","","0.984","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310567","13.041","0.005","13.205","0.006","15.361","0.006","94.995","0.01","91.463","0.009","95.415","0.01","2621.9","1.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H59 N3 O8 Pd3 S -","- C54 H59 N3 O8 Pd3 S -","- C108 H118 N6 O16 Pd6 S2 -","2","1","","Pablo Espinet; Celia Hernández; José M. Martín-Alvarez; Jesús A. Miguel","Formation of Trinuclear Palladium Orthometalated Complexes with Unprecedented Asymmetrical (μ3-S)(μ3-X) Bridges (X = OH, SR, O2CR) from μ2-Hydroxo Dimeric Complexes and CS2","Inorganic Chemistry","2004","43","","843","845","10.1021/ic0351085","","","0.71073","MoKα","","0.1024","0.0465","","","0.0927","0.1139","","","","","","0.963","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310568","11.753","0.0011","18.292","0.0017","19.1009","0.0018","90","","92.287","0.002","90","","4103.2","0.7","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H66 N5 Si6 U -","- C25 H66 N5 Si6 U -","- C100 H264 N20 Si24 U4 -","4","1","","Hidetaka Nakai; Xile Hu; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Synthesis and Characterization of N-Heterocyclic Carbene Complexes of Uranium(III)","Inorganic Chemistry","2004","43","","855","857","10.1021/ic035142j","","","0.71073","MoKα","","0.026","0.0206","","","0.0495","0.0507","","","","","","0.88","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310569","21.9055","0.0018","23.9529","0.0019","25.759","0.002","90","","90","","90","","13515.8","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C75 H105 N3 O3 U -","- C75 H105 N3 O3 U -","- C600 H840 N24 O24 U8 -","8","2","","Hidetaka Nakai; Xile Hu; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Synthesis and Characterization of N-Heterocyclic Carbene Complexes of Uranium(III)","Inorganic Chemistry","2004","43","","855","857","10.1021/ic035142j","","","0.71073","MoKα","","0.0857","0.0717","","","0.1597","0.1735","","","","","","1.271","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310570","11.0692","0.0011","12.1212","0.0012","25.395","0.003","86.178","0.002","81.586","0.002","84.705","0.002","3351.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H108 N5 O3 U -","- C76 H108 N5 O3 U -","- C152 H216 N10 O6 U2 -","2","1","","Hidetaka Nakai; Xile Hu; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Synthesis and Characterization of N-Heterocyclic Carbene Complexes of Uranium(III)","Inorganic Chemistry","2004","43","","855","857","10.1021/ic035142j","","","0.71073","MoKα","","0.0863","0.0826","","","0.2166","0.2179","","","","","","1.327","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310571","11.898","0.003","15.092","0.004","19.377","0.005","73.821","0.004","78.28","0.004","76.325","0.004","3211.6","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H99 N3 O3 -","- C69 H99 N3 O3 -","- C138 H198 N6 O6 -","2","1","","Hidetaka Nakai; Xile Hu; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Synthesis and Characterization of N-Heterocyclic Carbene Complexes of Uranium(III)","Inorganic Chemistry","2004","43","","855","857","10.1021/ic035142j","","","0.71073","MoKα","","0.0541","0.0423","","","0.1034","0.1081","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310572","29.399","0.005","11.2041","0.0015","14.1888","0.0018","90","","94.266","0.009","90","","4660.7","1.2","273","2","273","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H19 Ag B Cl3 F4 N O P -","- C19.5 H19 Ag B Cl3 F4 N O P -","- C156 H152 Ag8 B8 Cl24 F32 N8 O8 P8 -","8","1","","Kevin K. Klausmeyer; Rodney P. Feazell; Joseph H. Reibenspies","Two-, Three-, and Four-Coordinate Ag(I) Coordination Polymers Formed by the Novel Phosphinite PPh2(3-OCH2C5H4N)","Inorganic Chemistry","2004","43","","1130","1136","10.1021/ic035168a","","","0.71073","MoKα","","0.0402","0.0301","","","0.0812","0.0834","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310573","17.972","0.005","10.191","0.003","27.936","0.008","90","","115.441","0.004","90","","4620","2","110","2","110","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C78 H68 Ag4 Cl4 F12 N4 O16 P4 S4 -","- C78 H68 Ag4 Cl4 F12 N4 O16 P4 S4 -","- C156 H136 Ag8 Cl8 F24 N8 O32 P8 S8 -","2","1","","Kevin K. Klausmeyer; Rodney P. Feazell; Joseph H. Reibenspies","Two-, Three-, and Four-Coordinate Ag(I) Coordination Polymers Formed by the Novel Phosphinite PPh2(3-OCH2C5H4N)","Inorganic Chemistry","2004","43","","1130","1136","10.1021/ic035168a","","","0.71073","MoKα","","0.0693","0.0624","","","0.1531","0.1577","","","","","","1.088","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310574","8.9906","0.0014","9.1032","0.0014","25.965","0.004","96.721","0.002","95.492","0.002","105.485","0.002","2015.9","0.5","383","2","383","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Ag2 F6 N2 O6 P2 -","- C39.99 H32 Ag2 F5.97 N2 O6 P2 -","- C79.98 H64 Ag4 F11.94 N4 O12 P4 -","2","1","","Kevin K. Klausmeyer; Rodney P. Feazell; Joseph H. Reibenspies","Two-, Three-, and Four-Coordinate Ag(I) Coordination Polymers Formed by the Novel Phosphinite PPh2(3-OCH2C5H4N)","Inorganic Chemistry","2004","43","","1130","1136","10.1021/ic035168a","","","0.71073","MoKα","","0.0567","0.0531","","","0.126","0.1278","","","","","","1.105","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310575","9.7356","0.0008","11.4568","0.0008","9.3523","0.0006","90","","99.044","0.003","90","","1030.18","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Mn N2 O8 -","- C22 H20 Mn N2 O8 -","- C44 H40 Mn2 N4 O16 -","2","0.5","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams; Laurence K. Thompson","Synthesis, Structure, and Magnetochemical Analysis of Selected First-Row Transition-Metal Anilino- and Anisolesquarate Compounds","Inorganic Chemistry","2004","43","","1167","1174","10.1021/ic035193g","","","0.71073","MoKα","","0.0425","0.0337","","0.0882","0.0808","","","","1.036","1.068","1.068","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310576","9.7529","0.0015","11.3372","0.0012","9.0443","0.001","90","","97.506","0.004","90","","991.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co N2 O8 -","- C22 H20 Co N2 O8 -","- C44 H40 Co2 N4 O16 -","2","0.5","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams; Laurence K. Thompson","Synthesis, Structure, and Magnetochemical Analysis of Selected First-Row Transition-Metal Anilino- and Anisolesquarate Compounds","Inorganic Chemistry","2004","43","","1167","1174","10.1021/ic035193g","","","0.71073","MoKα","","0.0843","0.0526","","0.153","0.1265","","","","1.039","1.131","1.131","","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310577","12.4987","0.0003","9.2437","0.0002","40.2057","0.0014","90","","97.4167","0.001","90","","4606.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N2 Ni O12 -","- C20 H24 N2 Ni O12 -","- C160 H192 N16 Ni8 O96 -","8","1","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams; Laurence K. Thompson","Synthesis, Structure, and Magnetochemical Analysis of Selected First-Row Transition-Metal Anilino- and Anisolesquarate Compounds","Inorganic Chemistry","2004","43","","1167","1174","10.1021/ic035193g","","","0.71073","MoKα","","0.0468","0.034","","0.085","0.0775","","","","1.046","1.092","1.092","","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310578","9.6094","0.0003","11.509","0.0003","9.2534","0.0002","90","","99.0713","0.0014","90","","1010.58","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cu N2 O8 -","- C22 H20 Cu N2 O8 -","- C44 H40 Cu2 N4 O16 -","2","0.5","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams; Laurence K. Thompson","Synthesis, Structure, and Magnetochemical Analysis of Selected First-Row Transition-Metal Anilino- and Anisolesquarate Compounds","Inorganic Chemistry","2004","43","","1167","1174","10.1021/ic035193g","","","0.71073","MoKα","","0.0484","0.0353","","0.0869","0.079","","","","1.054","1.096","1.096","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310579","9.8369","0.0006","11.2936","0.0006","9.174","0.0004","90","","98.862","0.002","90","","1007.01","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O8 Zn -","- C22 H20 N2 O8 Zn -","- C44 H40 N4 O16 Zn2 -","2","0.5","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams; Laurence K. Thompson","Synthesis, Structure, and Magnetochemical Analysis of Selected First-Row Transition-Metal Anilino- and Anisolesquarate Compounds","Inorganic Chemistry","2004","43","","1167","1174","10.1021/ic035193g","","","0.71073","MoKα","","0.0538","0.0359","","0.0873","0.0784","","","","1.041","1.08","1.08","","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310580","6.738","0.0004","8.4952","0.0006","21.7946","0.0014","90","","91.651","0.005","90","","1247.02","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Mn O14 -","- C22 H26 Mn O14 -","- C44 H52 Mn2 O28 -","2","0.5","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams; Laurence K. Thompson","Synthesis, Structure, and Magnetochemical Analysis of Selected First-Row Transition-Metal Anilino- and Anisolesquarate Compounds","Inorganic Chemistry","2004","43","","1167","1174","10.1021/ic035193g","","","0.71073","MoKα","","0.0848","0.0579","","0.1543","0.133","","","","1.191","1.277","1.277","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310581","6.6536","0.0005","8.3936","0.0009","22.297","0.002","90","","91.58","0.005","90","","1244.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Ni O14 -","- C22 H26 Ni O14 -","- C44 H52 Ni2 O28 -","2","0.5","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams; Laurence K. Thompson","Synthesis, Structure, and Magnetochemical Analysis of Selected First-Row Transition-Metal Anilino- and Anisolesquarate Compounds","Inorganic Chemistry","2004","43","","1167","1174","10.1021/ic035193g","","","1.54178","CuKα","","0.0641","0.043","","0.1253","0.1104","","","","1.108","1.19","1.19","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310582","7.7056","0.0003","7.7561","0.0003","8.2023","0.0003","90","","97.477","0.002","90","","486.05","0.03","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 N2 Ni O2 -","- C4 H10 Cl2 N2 Ni O2 -","- C8 H20 Cl4 N4 Ni2 O4 -","2","0.5","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams; Laurence K. Thompson","Synthesis, Structure, and Magnetochemical Analysis of Selected First-Row Transition-Metal Anilino- and Anisolesquarate Compounds","Inorganic Chemistry","2004","43","","1167","1174","10.1021/ic035193g","","","0.71073","MoKα","","0.0268","0.0232","","0.0565","0.0543","","","","1.099","1.125","1.125","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310583","8.727","0.0015","18.188","0.003","18.924","0.003","117.538","0.002","97.221","0.003","92.838","0.003","2622.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H38 F24 N12 P4 Ru2 -","- C33 H38 F24 N12 P4 Ru2 -","- C66 H76 F48 N24 P8 Ru4 -","2","1","","María G. Mellace; Florencia Fagalde; Néstor E. Katz; Irma G. Crivelli; Alvaro Delgadillo; Ana María Leiva; Bárbara Loeb; María Teresa Garland; Ricardo Baggio","Dinuclear Asymmetric Ruthenium Complexes with 5-Cyano-1,10-phenanthroline as a Bridging Ligand","Inorganic Chemistry","2004","43","","1100","1107","10.1021/ic035198d","","","0.71073","MoKα","","0.1689","0.0725","","","0.1983","0.2535","","","","","","0.825","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310584","10.6216","0.0005","11.9695","0.0006","17.8084","0.0008","90","","90","","90","","2264.08","0.19","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Np3 O13 Se3 -","- Np3 O13 Se3 -","- Np24 O104 Se24 -","8","1","","Philip M. Almond; Richard E. Sykora; S. Skanthakumar; L. Soderholm; Thomas E. Albrecht-Schmitt","Hydrothermal Synthesis, Structure, and Magnetic Properties of the Mixed-Valent Np(IV)/Np(V) Selenite Np(NpO2)2(SeO3)3","Inorganic Chemistry","2004","43","","958","963","10.1021/ic035241x","","","0.71073","MoKα","","0.0358","0.0291","","","0.0612","0.0632","","","","","","1.104","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310585","3.73275","0.0001","12.31771","0.00029","9.13033","0.00027","90","","91.5962","0.0023","90","","419.64","0.019","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 D4 N4 -","- C2 D4 N4 -","- C8 D16 N16 -","4","1","","Bettina V. Lotsch; Jürgen Senker; Wolfgang Schnick","Characterization of the Thermally Induced Topochemical Solid-State Transformation of NH4[N(CN)2] into NCNC(NH2)2 by Means of X-ray and Neutron Diffraction as Well as Raman and Solid-State NMR Spectroscopy","Inorganic Chemistry","2004","43","","895","904","10.1021/ic034984f","powder diffraction","","","","","","","","","","","","","1.4","","","","","","","has coordinates,has Fobs","179144","2020-10-21","18:00:00",""
"4310586","3.7155","0.0011","3.7155","","3.7155","","90","","90","","90","","51.292","0.015","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Cl D4 N -","- Cl D4 N -","- Cl D4 N -","1","0.0208333","","Bettina V. Lotsch; Jürgen Senker; Wolfgang Schnick","Characterization of the Thermally Induced Topochemical Solid-State Transformation of NH4[N(CN)2] into NCNC(NH2)2 by Means of X-ray and Neutron Diffraction as Well as Raman and Solid-State NMR Spectroscopy","Inorganic Chemistry","2004","43","","895","904","10.1021/ic034984f","powder diffraction","","","","","","","","","","","","","1.4","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4310587","18.128","0.005","18.128","0.005","13.048","0.003","90","","90","","90","","4287.9","1.9","110","2","110","2","","","","","","","","5","I -4","I -4","82","Compound1","","","- C36 H18 F54 Mn12 O56 -","- C32 F48 Mn12 O58 -","- C64 F96 Mn24 O116 -","2","0.25","","Hanhua Zhao; Curtis P. Berlinguette; John Bacsa; Andrey V. Prosvirin; Jitendra K. Bera; Shane E. Tichy; Eric J. Schelter; Kim R. Dunbar","Structural Characterization, Magnetic Properties, and Electrospray Mass Spectrometry of Two Jahn-Teller Isomers of the Single-Molecule Magnet Mn~12~O~12~(CF~3~COO)~16~(H~2~O)~4~","Inorganic Chemistry","2004","43","","1359","1369","10.1021/ic030144p","","","0.71073","MoKα","","0.0653","0.053","","","0.1199","0.1268","","","","","","1.025","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310588","16.6105","0.001","7.1572","0.0004","6.8171","0.0004","90","","98.327","0.004","90","","801.9","0.08","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 Cd Cl N O5 P -","- C2 H10 Cd Cl N O5 P -","- C8 H40 Cd4 Cl4 N4 O20 P4 -","4","1","","Ekaterina V. Bakhmutova-Albert; Naima Bestaoui; Vladimir I. Bakhmutov; Abraham Clearfield; Anna Vega Rodriguez; Ricardo Llavona","A Novel Cadmium Aminophosphonate: X-ray Powder Diffraction Structure, Solid-State IR and NMR Spectroscopic Determination of the Fine Structure of the Organic Moieties","Inorganic Chemistry","2004","43","","1264","1272","10.1021/ic030320u","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06608","","1.4","","","","","","","has coordinates,has Fobs","179144","2020-10-21","18:00:00",""
"4310589","8.794","0.001","12.811","0.001","17.291","0.001","90","0.001","94.966","0.001","90","0.001","1940.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 F3 Fe N4 -","- C18 H15 Cl2 F3 Fe N4 -","- C72 H60 Cl8 F12 Fe4 N16 -","4","1","","Ahmed Machkour; Dominique Mandon; Mohamed Lachkar; Richard Welter","Easy Preparation of the Tris(2-fluoro-6-pyridylmethyl)amine Ligand and Instantaneous Reaction of the Corresponding Dichloroferrous Complex with Molecular Dioxygen: New Access to Dinuclear Species","Inorganic Chemistry","2004","43","","1545","1550","10.1021/ic034485e","","","0.71069","MoKα","","0.117","0.0463","","","0.1135","0.1336","","","","","","0.879","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310590","10.641","0.005","18.559","0.005","11.676","0.005","90","0.005","95.097","0.005","90","0.005","2296.7","1.6","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl4 F3 Fe2 N4 O -","- C18 H15 Cl4 F3 Fe2 N4 O -","- C72 H60 Cl16 F12 Fe8 N16 O4 -","4","1","","Ahmed Machkour; Dominique Mandon; Mohamed Lachkar; Richard Welter","Easy Preparation of the Tris(2-fluoro-6-pyridylmethyl)amine Ligand and Instantaneous Reaction of the Corresponding Dichloroferrous Complex with Molecular Dioxygen: New Access to Dinuclear Species","Inorganic Chemistry","2004","43","","1545","1550","10.1021/ic034485e","","","0.71069","MoKα","","0.065","0.0464","","","0.1372","0.1484","","","","","","0.98","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310591","9.343","0.005","9.569","0.005","13.696","0.005","102.621","0.005","93.289","0.005","105.61","0.005","1142","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H15 Cl4 F3 Fe2 N4 O0.5 -","- C18 H15 Cl4 F3 Fe2 N4 O0.5 -","- C36 H30 Cl8 F6 Fe4 N8 O -","2","1","","Ahmed Machkour; Dominique Mandon; Mohamed Lachkar; Richard Welter","Easy Preparation of the Tris(2-fluoro-6-pyridylmethyl)amine Ligand and Instantaneous Reaction of the Corresponding Dichloroferrous Complex with Molecular Dioxygen: New Access to Dinuclear Species","Inorganic Chemistry","2004","43","","1545","1550","10.1021/ic034485e","","","0.71069","MoKα","","0.1516","0.0829","","","0.129","0.1481","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310592","13.1584","0.0004","14.4013","0.0003","15.1836","0.0005","104.721","0.001","92.13","","99.83","0.001","2732.15","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 F6 N2 O13 P3 Ru3 -","- C48 H48 F6 N2 O13 P3 Ru3 -","- C96 H96 F12 N4 O26 P6 Ru6 -","2","1","","Jing-Lin Chen; Li-Yi Zhang; Zhong-Ning Chen; Li-Bin Gao; Masaaki Abe; Yoichi Sasaki","Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene","Inorganic Chemistry","2004","43","","1481","1490","10.1021/ic0344968","","","0.71073","MoKα","","0.1092","0.0623","","","0.1155","0.1443","","","","","","1.153","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310593","12.4158","0.0004","25.4312","0.0007","32.1363","0.0009","90","","98.068","0.001","90","","10046.6","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H80 Cl2 F12 N4 O26 P4 Ru6 -","- C72 H80 Cl2 F12 N4 O26 P4 Ru6 -","- C288 H320 Cl8 F48 N16 O104 P16 Ru24 -","4","1","","Jing-Lin Chen; Li-Yi Zhang; Zhong-Ning Chen; Li-Bin Gao; Masaaki Abe; Yoichi Sasaki","Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene","Inorganic Chemistry","2004","43","","1481","1490","10.1021/ic0344968","","","0.71073","MoKα","","0.0931","0.0654","","","0.172","0.2048","","","","","","1.206","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310594","11.148","0.0002","13.3086","0.0003","18.3628","0.0003","79.773","0.001","78.771","0.001","71.119","0.001","2509.12","0.08","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H41 Cl2 F6 N2 O14.5 P2 Ru3 -","- C36 H41 Cl2 F6 N2 O14.5 P2 Ru3 -","- C72 H82 Cl4 F12 N4 O29 P4 Ru6 -","2","1","","Jing-Lin Chen; Li-Yi Zhang; Zhong-Ning Chen; Li-Bin Gao; Masaaki Abe; Yoichi Sasaki","Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene","Inorganic Chemistry","2004","43","","1481","1490","10.1021/ic0344968","","","0.71073","MoKα","","0.0919","0.0723","","","0.1753","0.2006","","","","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310595","34.0681","0.0003","34.0681","0.0003","22.479","0.0004","90","","90","","120","","22594.5","0.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C35.5 H40 Cl N2 O15 P Ru3 -","- C35.5 H40 Cl N2 O15 P Ru3 -","- C639 H720 Cl18 N36 O270 P18 Ru54 -","18","1","","Jing-Lin Chen; Li-Yi Zhang; Zhong-Ning Chen; Li-Bin Gao; Masaaki Abe; Yoichi Sasaki","Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene","Inorganic Chemistry","2004","43","","1481","1490","10.1021/ic0344968","","","0.71073","MoKα","","0.1082","0.0676","","","0.1835","0.2263","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310596","12.286","0.0003","15.9362","0.0001","19.5404","0.0004","82.304","0.001","82.52","0.001","79.448","0.001","3705.3","0.12","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C39.5 H49 F6 N4 O14.75 P Ru3 Sb -","- C39.5 H49 F6 N4 O14.75 P Ru3 Sb -","- C79 H98 F12 N8 O29.5 P2 Ru6 Sb2 -","2","1","","Jing-Lin Chen; Li-Yi Zhang; Zhong-Ning Chen; Li-Bin Gao; Masaaki Abe; Yoichi Sasaki","Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene","Inorganic Chemistry","2004","43","","1481","1490","10.1021/ic0344968","","","0.71073","MoKα","","0.1416","0.0909","","","0.2503","0.3051","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310597","14.5867","0.0003","17.279","0.0001","22.1418","0.0003","90","","90.076","0.001","90","","5580.69","0.14","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H55 B F4 N2 O17 P Ru3 -","- C39 H55 B F4 N2 O17 P Ru3 -","- C156 H220 B4 F16 N8 O68 P4 Ru12 -","4","1","","Jing-Lin Chen; Li-Yi Zhang; Zhong-Ning Chen; Li-Bin Gao; Masaaki Abe; Yoichi Sasaki","Syntheses, Structures, and Redox Properties of Dimeric Triruthenium Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene","Inorganic Chemistry","2004","43","","1481","1490","10.1021/ic0344968","","","0.71073","MoKα","","0.1003","0.0691","","","0.1779","0.2122","","","","","","1.161","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310598","10.611","0.0006","11.3248","0.0007","12.8341","0.0007","90.948","0.001","114.124","0.001","112.647","0.001","1271.02","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 Ag2 B2 F8 P4 -","- C54 H52 Ag2 B2 F8 P4 -","- C54 H52 Ag2 B2 F8 P4 -","1","0.5","","Eric Fournier; Stéphanie Sicard; Andreas Decken; Pierre D. Harvey","Organometallic Oligomers Based on 1,8-Diisocyano-p-menthane (dmb): Syntheses and Characterization of the {[M(diphos)(dmb)]BF4}n and {[Pd2(diphos)2(dmb)](ClO4)2}n Materials (M = Cu, Ag; diphos = dppe, dppp)","Inorganic Chemistry","2004","43","","1491","1501","10.1021/ic034780z","","","0.71073","MoKα","","0.0271","0.0258","","","0.0681","0.0689","","","","","","1.069","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310599","14.113","0.0008","10.2075","0.0006","25.8175","0.0016","90","","103.381","0.001","90","","3618.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Ag B F4 N2 P2 -","- C35.97 H33 Ag B F4 N2 P2 -","- C143.88 H132 Ag4 B4 F16 N8 P8 -","4","1","","Eric Fournier; Stéphanie Sicard; Andreas Decken; Pierre D. Harvey","Organometallic Oligomers Based on 1,8-Diisocyano-p-menthane (dmb): Syntheses and Characterization of the {[M(diphos)(dmb)]BF4}n and {[Pd2(diphos)2(dmb)](ClO4)2}n Materials (M = Cu, Ag; diphos = dppe, dppp)","Inorganic Chemistry","2004","43","","1491","1501","10.1021/ic034780z","","","0.71073","MoKα","","0.0324","0.0292","","","0.0828","0.0845","","","","","","1.077","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310600","15.5433","0.0009","11.2094","0.0006","21.4362","0.0012","90","","92.483","0.001","90","","3731.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 B Cu F4 N2 P2 -","- C37 H41.3 B Cu F4 N2 P2 -","- C148 H165.2 B4 Cu4 F16 N8 P8 -","4","1","","Eric Fournier; Stéphanie Sicard; Andreas Decken; Pierre D. Harvey","Organometallic Oligomers Based on 1,8-Diisocyano-p-menthane (dmb): Syntheses and Characterization of the {[M(diphos)(dmb)]BF4}n and {[Pd2(diphos)2(dmb)](ClO4)2}n Materials (M = Cu, Ag; diphos = dppe, dppp)","Inorganic Chemistry","2004","43","","1491","1501","10.1021/ic034780z","","","0.71073","MoKα","","0.0458","0.0327","","","0.0905","0.0976","","","","","","1.085","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310601","11.415","0.001","13.98","0.001","17.751","0.001","90.832","0.002","91.227","0.002","90.481","0.002","2831.7","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H73.93 B Cl0.08 N2 O9 P3 Ru -","- C52 H73.938 B Cl0.062 N2 O9 P3 Ru -","- C104 H147.876 B2 Cl0.124 N4 O18 P6 Ru2 -","2","1","","Gabriele Albertin; Stefano Antoniutti; Alessia Bacchi; Claudia D'Este; Giancarlo Pelizzi","Preparation and Reactivity of Mixed-Ligand Ruthenium(II) Hydride Complexes with Phosphites and Polypyridyls","Inorganic Chemistry","2004","43","","1336","1349","10.1021/ic034820z","","","0.71069","MoKα","","0.0729","0.0545","","","0.1156","0.1318","","","","","","1.129","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310602","15.194","0.015","21.32","0.02","27.55","0.03","90","","90","","90","","8924","16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75.75 H124 Co N18 O26.5 P -","- C75.75 H100.5 Co N18 O26.5 P -","- C303 H402 Co4 N72 O106 P4 -","4","1","","Lizhi Ouyang; Paul Rulis; W. Y. Ching; Giorgio Nardin; Lucio Randaccio","Accurate Redetermination of the X-ray Structure and Electronic Bonding in Adenosylcobalamin","Inorganic Chemistry","2004","43","","1235","1241","10.1021/ic0348446","","","0.73733","synchrotron","","0.0667","0.0661","","","0.1869","0.1877","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310603","22.7939","0.0012","21.9335","0.0011","24.5094","0.0012","90","","115.269","0.001","90","","11081","1","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C123 H126 Au2 Cl6 F16 N2 O9 P2 Rh4 S4 -","- C99 H60 Au2 Cl6 F16 N2 O9 P2 Rh4 S4 -","- C396 H240 Au8 Cl24 F64 N8 O36 P8 Rh16 S16 -","4","1","","Miguel A. Casado; Jesús J. Pérez-Torrente; Miguel A. Ciriano; Fernando J. Lahoz; Luis A. Oro","Tetranuclear [Rh4(μ-PyS2)2(diolefin)4] Complexes as Building Blocks for New Inorganic Architectures: Synthesis of Coordination Polymers and Heteropolynuclear Complexes with Electrophilic d8 and d10 Metal Fragments","Inorganic Chemistry","2004","43","","1558","1567","10.1021/ic034893i","","","0.71073","MoKα","","0.1018","0.0548","","","0.1037","0.1111","","","","","","0.83","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310604","6.437","0.0002","17.745","0.001","19.076","0.001","90","0","90","0","90","0","2178.95","0.18","295","2","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C8 H11 Ag N4 -","- C8 H11 Ag N4 -","- C64 H88 Ag8 N32 -","8","1","","Yukihiro Yoshida; Koji Muroi; Akihiro Otsuka; Gunzi Saito; Masahide Takahashi; Toshinobu Yoko","1-Ethyl-3-methylimidazolium Based Ionic Liquids Containing Cyano Groups: Synthesis, Characterization, and Crystal Structure","Inorganic Chemistry","2004","43","","1458","1462","10.1021/ic035045q","","","0.71073","MoK-alpha","","","0.059","","","0.102","","","","","1.866","1.866","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310605","21.947","0.001","28.636","0.001","56.476","0.002","90","","90","","90","","35494","2","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C96 H144 Cl8 N32 O36 Zr6 -","- C96 H144 Cl8 N32 O36 Zr6 -","- C768 H1152 Cl64 N256 O288 Zr48 -","8","0.25","","A. Otero; J. Fernández-Baeza; A. Antiñolo; J. Tejeda; A. Lara-Sánchez; L. Sánchez-Barba; M. Fernández-López; I. López-Solera","New Complexes of Zirconium(IV) and Hafnium(IV) with Heteroscorpionate Ligands and the Hydrolysis of Such Complexes To Give a Zirconium Cluster#","Inorganic Chemistry","2004","43","","1350","1358","10.1021/ic035067c","","","0.71073","MoKα","","0.2109","0.1242","","","0.3693","0.412","","","","","","1.398","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310606","12.048","0.001","12.491","0.001","13.052","0.001","104.26","0.01","104.24","0.01","107.2","0.01","1707.3","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H96 Cl4 N8 O14 Zr2 -","- C56 H96 Cl4 N8 O14 Zr2 -","- C56 H96 Cl4 N8 O14 Zr2 -","1","0.5","","A. Otero; J. Fernández-Baeza; A. Antiñolo; J. Tejeda; A. Lara-Sánchez; L. Sánchez-Barba; M. Fernández-López; I. López-Solera","New Complexes of Zirconium(IV) and Hafnium(IV) with Heteroscorpionate Ligands and the Hydrolysis of Such Complexes To Give a Zirconium Cluster#","Inorganic Chemistry","2004","43","","1350","1358","10.1021/ic035067c","","","0.71073","MoKα","","0.2783","0.0999","","","0.229","0.2776","","","","","","1.125","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310607","11.986","0.001","12.478","0.001","12.97","0.001","104.24","0.1","104.05","0.1","107.16","0.1","1689","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H96 Cl4 Hf2 N8 O14 -","- C56 H96 Cl4 Hf2 N8 O14 -","- C56 H96 Cl4 Hf2 N8 O14 -","1","0.5","","A. Otero; J. Fernández-Baeza; A. Antiñolo; J. Tejeda; A. Lara-Sánchez; L. Sánchez-Barba; M. Fernández-López; I. López-Solera","New Complexes of Zirconium(IV) and Hafnium(IV) with Heteroscorpionate Ligands and the Hydrolysis of Such Complexes To Give a Zirconium Cluster#","Inorganic Chemistry","2004","43","","1350","1358","10.1021/ic035067c","","","0.71073","MoKα","","0.0468","0.0325","","","0.0785","0.0895","","","","","","1.08","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310608","13.4623","0.0016","13.4623","0.0016","46.472","0.012","90","","90","","90","","8422","3","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C24 H22.5 Cu F12 N8 O5.25 P2 -","- C24 H16 Cu F12 N8 O5.25 P2 -","- C192 H128 Cu8 F96 N64 O42 P16 -","8","0.5","","Miao Du; Ya-Mei Guo; Shen-Tan Chen; Xian-He Bu; Stuart R. Batten; Joan Ribas; Susumu Kitagawa","Preparation of Acentric Porous Coordination Frameworks from an Interpenetrated Diamondoid Array through Anion-Exchange Procedures: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","1287","1293","10.1021/ic0351242","","","0.71073","MoKα","","0.1498","0.0738","","","0.1698","0.2091","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310609","6.379","0.002","10.06","0.003","27.232","0.009","90","","90","","90","","1747.6","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H11 Cu N10 O2.5 -","- C12 H8 Cu N10 O2.5 -","- C48 H32 Cu4 N40 O10 -","4","1","","Miao Du; Ya-Mei Guo; Shen-Tan Chen; Xian-He Bu; Stuart R. Batten; Joan Ribas; Susumu Kitagawa","Preparation of Acentric Porous Coordination Frameworks from an Interpenetrated Diamondoid Array through Anion-Exchange Procedures: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","1287","1293","10.1021/ic0351242","","","0.71073","MoKα","","0.1382","0.0489","","","0.1229","0.1708","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310610","5.5102","0.0019","10.576","0.004","28.344","0.01","90","","90","","90","","1651.8","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cu N4 O8 S -","- C12 H8 Cu N4 O8 S -","- C48 H32 Cu4 N16 O32 S4 -","4","1","","Miao Du; Ya-Mei Guo; Shen-Tan Chen; Xian-He Bu; Stuart R. Batten; Joan Ribas; Susumu Kitagawa","Preparation of Acentric Porous Coordination Frameworks from an Interpenetrated Diamondoid Array through Anion-Exchange Procedures: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","1287","1293","10.1021/ic0351242","","","0.71073","MoKα","","0.06","0.0406","","","0.0703","0.0754","","","","","","0.995","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310611","17.2709","0.001","11.7599","0.001","18.567","0.0012","90","","108.879","0.002","90","","3568.2","0.4","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H29 Mo0.5 O2 -","- C18 H29 Mo0.5 O2 -","- C144 H232 Mo4 O16 -","8","1","","Tracy A. Hanna; Amit K. Ghosh; Catalina Ibarra; Miguel A. Mendez-Rojas; Arnold L. Rheingold; William H. Watson","Steric Control of Coordination Number: A Series of Mo(VI) Dioxo Diaryloxide Complexes Bearing 4-, 5-, and 6-Coordinate Environments","Inorganic Chemistry","2004","43","","1511","1516","10.1021/ic035129z","","","0.71073","MoKα","","0.0535","0.041","","","0.1143","0.121","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310612","12.8628","0.0013","11.0536","0.0011","23.076","0.002","90","","105.161","0.002","90","","3166.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H45 Mo N O4 -","- C29 H39 Mo N O4 -","- C116 H156 Mo4 N4 O16 -","4","1","","Tracy A. Hanna; Amit K. Ghosh; Catalina Ibarra; Miguel A. Mendez-Rojas; Arnold L. Rheingold; William H. Watson","Steric Control of Coordination Number: A Series of Mo(VI) Dioxo Diaryloxide Complexes Bearing 4-, 5-, and 6-Coordinate Environments","Inorganic Chemistry","2004","43","","1511","1516","10.1021/ic035129z","","","0.71073","MoKα","","0.0869","0.0764","","","0.1568","0.1612","","","","","","1.306","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310613","8.2854","0.0012","16.596","0.003","17.775","0.002","90","","97.342","0.004","90","","2424.1","0.6","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Mo0.5 N O2 -","- C13 H14 Mo0.5 N O2 -","- C104 H112 Mo4 N8 O16 -","8","1","","Tracy A. Hanna; Amit K. Ghosh; Catalina Ibarra; Miguel A. Mendez-Rojas; Arnold L. Rheingold; William H. Watson","Steric Control of Coordination Number: A Series of Mo(VI) Dioxo Diaryloxide Complexes Bearing 4-, 5-, and 6-Coordinate Environments","Inorganic Chemistry","2004","43","","1511","1516","10.1021/ic035129z","","","0.71073","MoKα","","0.1262","0.0555","","","0.0723","0.0866","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310614","10.9599","0.001","11.2238","0.001","15.9257","0.001","83.022","0.01","73.071","0.01","62.528","0.01","1662.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","10-[(9-methyl-1,10-phenanthrol-2-yl)methyl]-1,4,7,10- tetraazacyclododecane-1,4,7-triacetate-erbium(iii) heptahydrate","","- C28 H33 Er N6 O13 -","- C28 H33 Er N6 O13 -","- C56 H66 Er2 N12 O26 -","2","1","","Silvio Quici; Giovanni Marzanni; Alessandra Forni; Gianluca Accorsi; Francesco Barigelletti","New Lanthanide Complexes for Sensitized Visible and Near-IR Light Emission: Synthesis,1H NMR, and X-ray Structural Investigation and Photophysical Properties","Inorganic Chemistry","2004","43","","1294","1301","10.1021/ic035143b","","","0.71073","MoKα","","0.0561","0.0389","","","0.0888","0.1174","","","","","","1.035","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310615","11.033","0.002","11.219","0.002","16.082","0.003","83.979","0.01","73.142","0.01","62.458","0.01","1688.2","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","10-[(9-methyl-1,10-phenanthrol-2-yl)methyl]-1,4,7,10- tetraazacyclododecane-1,4,7-triacetate-europium(iii) heptahydrate","","- C28 H33 Eu N6 O13 -","- C28 H33 Eu N6 O13 -","- C56 H66 Eu2 N12 O26 -","2","1","","Silvio Quici; Giovanni Marzanni; Alessandra Forni; Gianluca Accorsi; Francesco Barigelletti","New Lanthanide Complexes for Sensitized Visible and Near-IR Light Emission: Synthesis,1H NMR, and X-ray Structural Investigation and Photophysical Properties","Inorganic Chemistry","2004","43","","1294","1301","10.1021/ic035143b","","","0.71073","MoKα","","0.0303","0.0273","","","0.0737","0.0817","","","","","","1.109","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310616","9.4687","0.0014","9.2724","0.0011","10.5503","0.0018","90","","104.887","0.007","90","","895.2","0.2","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As2 Cd F13 H -","- As2 Cd F13 H -","- As8 Cd4 F52 H4 -","4","1","","Gašper Tavčar; Primož Benkič; Boris Žemva","New coordination compounds of Cd(AsF~6~)~2~ with HF and XeF~2~","Inorganic Chemistry","2004","43","","1452","1457","10.1021/ic035166q","","","0.71069","MoKα","","0.0549","0.0499","","","0.1265","0.1408","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310617","8.6482","0.0006","13.5555","0.0011","16.6312","0.0014","90","","90","","90","","1949.7","0.3","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- As2 Cd F20 Xe4 -","- As2 Cd F20 Xe4 -","- As8 Cd4 F80 Xe16 -","4","1","","Gašper Tavčar; Primož Benkič; Boris Žemva","New coordination compounds of Cd(AsF~6~)~2~ with HF and XeF~2~","Inorganic Chemistry","2004","43","","1452","1457","10.1021/ic035166q","","","0.71069","MoKα","","0.0431","0.0366","","","0.076","0.0812","","","","","","1.079","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310618","14.128","0.003","21.5","0.004","22.083","0.004","90","","98.01","0.03","90","","6642","2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H104 Al2 N5 O3 -","- C68 H104 Al2 N5 O3 -","- C272 H416 Al8 N20 O12 -","4","1","","Ying Peng; Guangcai Bai; Hongjun Fan; Denis Vidovic; Herbert W. Roesky; Jörg Magull","Synthesis and Structural Characterization of a Terminal Hydroxide Containing Alumoxane via Hydrolysis of Aluminum Hydrides","Inorganic Chemistry","2004","43","","1217","1219","10.1021/ic0351803","","","0.71073","MoKα","","0.1009","0.0484","","","0.0935","0.1035","","","","","","0.722","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310619","8.038","0.0007","12.4495","0.0008","27.358","0.002","90","","92.18","0.01","90","","2735.7","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Fe2 N6 O3 S2 -","- C23 H26 Fe2 N6 O3 S2 -","- C92 H104 Fe8 N24 O12 S8 -","4","1","","Athanassios K. Boudalis; Juan-Modesto Clemente-Juan; Françoise Dahan; Jean-Pierre Tuchagues","New Poly-Iron(II) Complexes of N4O Dinucleating Schiff Bases and Pseudohalides: Syntheses, Structures, and Magnetic and Mössbauer Properties","Inorganic Chemistry","2004","43","","1574","1586","10.1021/ic0351904","","","0.71073","MoKα","","0.0358","0.0333","","","0.0668","0.0672","","","","","","1.13","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310620","8.4152","0.001","9.135","0.001","17.666","0.002","97.486","0.014","100.026","0.014","113.51","0.013","1195.9","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Fe2 N7 O4 -","- C22 H23 Fe2 N7 O4 -","- C44 H46 Fe4 N14 O8 -","2","1","","Athanassios K. Boudalis; Juan-Modesto Clemente-Juan; Françoise Dahan; Jean-Pierre Tuchagues","New Poly-Iron(II) Complexes of N4O Dinucleating Schiff Bases and Pseudohalides: Syntheses, Structures, and Magnetic and Mössbauer Properties","Inorganic Chemistry","2004","43","","1574","1586","10.1021/ic0351904","","","0.71073","MoKα","","0.0432","0.0324","","","0.0728","0.0753","","","","","","0.877","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310621","9.1246","0.0011","10.2466","0.0011","14.928","0.002","91.529","0.015","101.078","0.016","106.341","0.014","1309.5","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H50 Fe4 N26 O3 -","- C39 H50 Fe4 N26 O3 -","- C39 H50 Fe4 N26 O3 -","1","0.5","","Athanassios K. Boudalis; Juan-Modesto Clemente-Juan; Françoise Dahan; Jean-Pierre Tuchagues","New Poly-Iron(II) Complexes of N4O Dinucleating Schiff Bases and Pseudohalides: Syntheses, Structures, and Magnetic and Mössbauer Properties","Inorganic Chemistry","2004","43","","1574","1586","10.1021/ic0351904","","","0.71073","MoKα","","0.0264","0.025","","","0.0504","0.0509","","","","","","0.831","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310622","8.7674","0.0009","12.0938","0.0013","12.2634","0.0014","106.685","0.014","93.689","0.014","108.508","0.013","1163.7","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 Fe N6 O2 S2 -","- C21 H26 Fe N6 O2 S2 -","- C42 H52 Fe2 N12 O4 S4 -","2","1","","Athanassios K. Boudalis; Juan-Modesto Clemente-Juan; Françoise Dahan; Jean-Pierre Tuchagues","New Poly-Iron(II) Complexes of N4O Dinucleating Schiff Bases and Pseudohalides: Syntheses, Structures, and Magnetic and Mössbauer Properties","Inorganic Chemistry","2004","43","","1574","1586","10.1021/ic0351904","","","0.71073","MoKα","","0.0416","0.0388","","","0.0924","0.0932","","","","","","1.065","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310623","22.9779","0.0013","18.8198","0.0009","8.2504","0.0004","90","","90","","90","","3567.8","0.3","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H34 Cl2 Fe2 N8 O -","- C39 H32 Cl2 Fe2 N8 O -","- C156 H128 Cl8 Fe8 N32 O4 -","4","0.5","","Jacqueline M. Veauthier; Won-Seob Cho; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole Schiff Base Macrocycles. Novel Binucleating Ligands for μ-Oxo Iron Complexes","Inorganic Chemistry","2004","43","","1220","1228","10.1021/ic0352001","","","0.71073","MoKα","","0.1318","0.0694","","","0.1295","0.138","","","","","","1.834","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310624","19.3235","0.0011","11.4123","0.0006","23.7326","0.0015","90","","97.258","0.002","90","","5191.7","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 Cl8 Fe2 N8 O5 -","- C46 H48 Cl8 Fe2 N8 O5 -","- C184 H192 Cl32 Fe8 N32 O20 -","4","1","","Jacqueline M. Veauthier; Won-Seob Cho; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole Schiff Base Macrocycles. Novel Binucleating Ligands for μ-Oxo Iron Complexes","Inorganic Chemistry","2004","43","","1220","1228","10.1021/ic0352001","","","0.71073","MoKα","","0.1639","0.0733","","","0.1426","0.1674","","","","","","1.227","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310625","23.7941","0.001","8.8588","0.0005","23.7874","0.0014","90","","113.805","0.002","90","0.002","4587.5","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Fe2 N8 O -","- C52 H62 Fe2 N8 O -","- C208 H248 Fe8 N32 O4 -","4","1","","Jacqueline M. Veauthier; Won-Seob Cho; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole Schiff Base Macrocycles. Novel Binucleating Ligands for μ-Oxo Iron Complexes","Inorganic Chemistry","2004","43","","1220","1228","10.1021/ic0352001","","","0.71073","MoKα","","0.3412","0.0839","","","0.1042","0.1498","","","","","","0.985","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310626","12.9485","0.0003","13.4105","0.0003","17.2908","0.0005","106.45","0.002","92.57","0.002","109.053","0.002","2690.43","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H66 Cl2 Fe2 N8 O8 -","- C54 H65.86 Cl2 Fe2 N8 O8 -","- C108 H131.72 Cl4 Fe4 N16 O16 -","2","1","","Jacqueline M. Veauthier; Won-Seob Cho; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole Schiff Base Macrocycles. Novel Binucleating Ligands for μ-Oxo Iron Complexes","Inorganic Chemistry","2004","43","","1220","1228","10.1021/ic0352001","","","0.71073","MoKα","","0.1441","0.0689","","","0.1114","0.124","","","","","","1.495","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310627","17.8779","0.0006","15.346","0.0007","18.5817","0.0008","90","","109.606","0.003","90","","4802.4","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Cl2 Fe2 N8 O -","- C46 H48 Cl2 Fe2 N8 O -","- C184 H192 Cl8 Fe8 N32 O4 -","4","1","","Jacqueline M. Veauthier; Won-Seob Cho; Vincent M. Lynch; Jonathan L. Sessler","Calix[4]pyrrole Schiff Base Macrocycles. Novel Binucleating Ligands for μ-Oxo Iron Complexes","Inorganic Chemistry","2004","43","","1220","1228","10.1021/ic0352001","","","0.71073","MoKα","","0.1731","0.1066","","","0.15","0.1568","","","","","","1.994","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310628","8.9282","0.0007","8.915","0.0007","28.113","0.002","90","","90","","90","","2237.7","0.3","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C28 H20 Cu N6 -","- C28 H20 Cu N6 -","- C112 H80 Cu4 N24 -","4","0.5","","Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen","Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers","Inorganic Chemistry","2004","43","","1242","1249","10.1021/ic0352295","","","0.71073","MoKα","","0.0268","0.0266","","","0.0728","0.073","","","","","","1.141","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4310629","11.9165","0.0012","16.0218","0.0017","12.9956","0.0014","90","","91.223","0.002","90","","2480.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cu N6 -","- C32 H20 Cu N6 -","- C128 H80 Cu4 N24 -","4","1","","Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen","Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers","Inorganic Chemistry","2004","43","","1242","1249","10.1021/ic0352295","","","0.71073","MoKα","","0.0798","0.0565","","","0.1111","0.1181","","","","","","1.138","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4310630","14.0337","0.001","11.9862","0.0008","10.4162","0.0007","90","","90","","90","","1752.1","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25.33 H22.67 Cu1.33 N4 O2.67 -","- C25.3333 H22.6667 Cu1.33333 N4 O2.66667 -","- C76 H68 Cu4 N12 O8 -","3","0.375","","Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen","Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers","Inorganic Chemistry","2004","43","","1242","1249","10.1021/ic0352295","","","0.71073","MoKα","","0.0293","0.0268","","","0.0778","0.0787","","","","","","1.112","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310631","8.3811","0.0005","15.5837","0.001","16.5921","0.0011","117.52","0.001","91.737","0.001","98.95","0.001","1885.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.5 H18 Cl Cu N3 O2 -","- C19.5 H18 Cl Cu N3 O2 -","- C78 H72 Cl4 Cu4 N12 O8 -","4","2","","Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen","Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers","Inorganic Chemistry","2004","43","","1242","1249","10.1021/ic0352295","","","0.71073","MoKα","","0.0647","0.0545","","","0.1472","0.1543","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310632","9.4788","0.0006","9.9354","0.0006","35.677","0.002","90","","90","","90","","3359.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cu N3 O2 -","- C19 H17 Cu N3 O2 -","- C152 H136 Cu8 N24 O16 -","8","2","","Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen","Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers","Inorganic Chemistry","2004","43","","1242","1249","10.1021/ic0352295","","","0.71073","MoKα","","0.0359","0.033","","","0.0727","0.0738","","","","","","1.044","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310633","11.9543","0.001","20.6386","0.0018","7.6606","0.0007","90","","103.165","0.002","90","","1840.4","0.3","218","2","218","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cu N3 O2 -","- C21 H17 Cu N3 O2 -","- C84 H68 Cu4 N12 O8 -","4","0.5","","Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen","Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers","Inorganic Chemistry","2004","43","","1242","1249","10.1021/ic0352295","","","0.71073","MoKα","","0.0392","0.0372","","","0.0995","0.101","","","","","","1.096","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310634","9.4253","0.001","10.9373","0.001","23.6378","0.001","90","","98.733","0.004","90","","2408.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Cu2 N4 O8 S4 -","- C50 H48 Cu2 N4 O8 S4 -","- C100 H96 Cu4 N8 O16 S8 -","2","0.5","","Maria Vanda Marinho; Maria Irene Yoshida; Kassilio J. Guedes; Klaus Krambrock; Adailton J. Bortoluzzi; Manfredo Hörner; Flávia C. Machado; Wagner M. Teles","Synthesis, Crystal Structure, and Spectroscopic Characterization of trans-Bis[(μ-1,3-bis(4-pyridyl)propane)(μ-(3-thiopheneacetate-O)) (3-thiopheneacetate-O)]dicopper(II), {[Cu2(O2CCH2C4H3S)4μ-(BPP)2]}n: From a Dinuclear Paddle-Wheel Copper(II) Unit to a 2-D Coordination Polymer Involving Monatomic Carboxylate Bridges","Inorganic Chemistry","2004","43","","1539","1544","10.1021/ic035251y","","","0.71073","MoKα","","0.081","0.0386","","","0.1092","0.128","","","","","","0.954","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310635","41.1535","0.0005","16.7918","0.0002","33.7062","0.0004","90","","109.723","0.001","90","","21925.9","0.5","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C136 H278 Ba8 F30 I8 N18 O16 P6 Ti6 -","- C146 H198 Ba8 F30 I7.96 N18 O6 P6 Ti6 -","- C584 H792 Ba32 F120 I31.84 N72 O24 P24 Ti24 -","4","0.5","","Andrej Pevec","Syntheses, solid state and solution structures of [Ba{(C~5~Me~5~)~2~Ti~2~F~7~}~2~(HMPA)] and [Ba~8~Ti~6~F~30~I~2~(C~5~Me~5~)~6~(HMPA)~6~][I~3~]~2~","Inorganic Chemistry","2004","43","","1250","1256","10.1021/ic035256v","","","0.71073","MoKα","","0.1178","0.0761","","","0.2039","0.2471","","","","","","1.078","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310636","25.4497","0.0003","11.1503","0.0002","22.6957","0.0003","90","","110.962","0.001","90","","6014.16","0.16","190","2","190","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H86 Ba F14 N3 O2 P Ti4 -","- C50 H86 Ba F14 N3 O2 P Ti4 -","- C200 H344 Ba4 F56 N12 O8 P4 Ti16 -","4","0.5","","Andrej Pevec","Syntheses, solid state and solution structures of [Ba{(C~5~Me~5~)~2~Ti~2~F~7~}~2~(HMPA)] and [Ba~8~Ti~6~F~30~I~2~(C~5~Me~5~)~6~(HMPA)~6~][I~3~]~2~","Inorganic Chemistry","2004","43","","1250","1256","10.1021/ic035256v","","","0.71073","MoKα","","0.0729","0.042","","","0.1153","0.1583","","","","","","1.168","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310637","4.1784","0.0009","8.8645","0.0019","15.745","0.003","90","","90","","90","","583.2","0.2","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Dy Ge2 Ni -","- Dy Ge2 Ni -","- Dy8 Ge16 Ni8 -","8","0.5","","J. R. Salvador; J. R. Gour; D. Bilc; S. D. Mahanti; M. G. Kanatzidis","Stabilization of New Forms of the Intermetallic Phases β-RENiGe2 (RE = Dy, Ho, Er, Tm, Yb, Lu) in Liquid Indium","Inorganic Chemistry","2004","43","","1403","1410","10.1021/ic035303j","","","0.71073","MoKα","","0.0429","0.0421","","","0.1174","0.1181","","","","","","1.266","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310638","4.114","0.002","8.43","0.005","15.741","0.009","90","","90","","90","","545.9","0.5","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Er Ge2 Ni -","- Er Ge2 Ni -","- Er8 Ge16 Ni8 -","8","0.5","","J. R. Salvador; J. R. Gour; D. Bilc; S. D. Mahanti; M. G. Kanatzidis","Stabilization of New Forms of the Intermetallic Phases β-RENiGe2 (RE = Dy, Ho, Er, Tm, Yb, Lu) in Liquid Indium","Inorganic Chemistry","2004","43","","1403","1410","10.1021/ic035303j","","","0.71073","MoKα","","0.0266","0.0253","","","0.0855","0.0871","","","","","","0.763","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310639","4.0935","0.0006","8.4277","0.0013","15.751","0.002","90","","90","","90","","543.39","0.13","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ge2 Ni Yb -","- Ge2 Ni Yb -","- Ge16 Ni8 Yb8 -","8","0.5","","J. R. Salvador; J. R. Gour; D. Bilc; S. D. Mahanti; M. G. Kanatzidis","Stabilization of New Forms of the Intermetallic Phases β-RENiGe2 (RE = Dy, Ho, Er, Tm, Yb, Lu) in Liquid Indium","Inorganic Chemistry","2004","43","","1403","1410","10.1021/ic035303j","","","0.71073","MoKα","","0.0454","0.0443","","","0.1018","0.1033","","","","","","1.183","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310640","4.0924","0.0014","8.418","0.003","15.742","0.005","90","","90","","90","","542.3","0.3","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ge8 Lu4 Ni4 -","- Ge8 Lu4 Ni4 -","- Ge16 Lu8 Ni8 -","2","0.125","","J. R. Salvador; J. R. Gour; D. Bilc; S. D. Mahanti; M. G. Kanatzidis","Stabilization of New Forms of the Intermetallic Phases β-RENiGe2 (RE = Dy, Ho, Er, Tm, Yb, Lu) in Liquid Indium","Inorganic Chemistry","2004","43","","1403","1410","10.1021/ic035303j","","","0.71073","MoKα","","0.0271","0.0231","","","0.0592","0.0605","","","","","","1.06","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310642","2.9298","","2.9298","","21.9127","","90","","90","","120","","162.893","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- H0.9 Na0.22 O2.45 Ru -","- Na0.67 O2 Ru -","- Na2.01 O6 Ru3 -","3","0.0833333","","Masahiro Shikano; Claude Delmas; Jacques Darriet","NaRuO2 and NaxRuO2.yH2O: New Oxide and Oxyhydrate with Two Dimensional RuO2Layers","Inorganic Chemistry","2004","43","","1214","1216","10.1021/ic035324d","","","0.71069","MoKα","","0.0417","0.0417","","","0.0774","0.0774","","","","1.58","1.58","1.58","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4310643","9.1093","0.0005","19.3619","0.0008","11.8689","0.0007","90","","103.985","0.003","90","","2031.31","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H27 Cl3 Co N5 O9 -","- C11 H27 Cl3 Co N5 O9 -","- C44 H108 Cl12 Co4 N20 O36 -","4","1","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0608","0.039","","","0.0917","0.1008","","","","","","1.025","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310644","6.4187","0.0004","11.2814","0.0012","10.2144","0.0009","90","","101.998","0.006","90","","723.49","0.11","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H20 Cl3 Co N4 O5 -","- C7 H20 Cl3 Co N4 O5 -","- C14 H40 Cl6 Co2 N8 O10 -","2","1","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0364","0.0314","","","0.0714","0.0738","","","","","","1.05","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310645","15.1051","0.0006","13.7762","0.0006","15.4565","0.0004","90","","103.066","0.002","90","","3133.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 Cl2 Cu N4 O9 -","- C7 H20 Cl2 Cu N4 O9 -","- C56 H160 Cl16 Cu8 N32 O72 -","8","2","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0574","0.0414","","","0.0918","0.0993","","","","","","1.041","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310646","10.3444","0.0008","16.5635","0.0013","11.3634","0.0007","90","","105.72","0.004","90","","1874.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H25 Cl2 Cu N5 O7 -","- C11 H25 Cl2 Cu N5 O7 -","- C44 H100 Cl8 Cu4 N20 O28 -","4","1","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0835","0.0466","","","0.0957","0.1081","","","","","","1.025","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310647","11.0797","0.0005","10.5669","0.0005","18.139","0.0007","90","","107.301","0.003","90","","2027.59","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H32 Cl4 Co N5 O3 -","- C11 H32 Cl4 Co N5 O3 -","- C44 H128 Cl16 Co4 N20 O12 -","4","2","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0508","0.0411","","","0.0951","0.1007","","","","","","0.978","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310648","12.7995","0.0006","9.6639","0.0004","15.9984","0.0008","90","","106.256","0.003","90","","1899.78","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H31 Cl3 Co N5 O3 -","- C11 H31 Cl3 Co N5 O3 -","- C44 H124 Cl12 Co4 N20 O12 -","4","1","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0489","0.0333","","","0.0704","0.0768","","","","","","0.998","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310649","8.9797","0.0005","12.4108","0.0004","15.5528","0.0009","90","","90","","90","","1733.29","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H29 Cl3 Co N5 O2 -","- C11 H29 Cl3 Co N5 O2 -","- C44 H116 Cl12 Co4 N20 O8 -","4","1","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0373","0.0323","","","0.071","0.0735","","","","","","1.071","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310650","7.8667","0.0003","15.5972","0.0004","15.381","0.0006","90","","97.962","0.002","90","","1869.03","0.11","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H30 Cl4 Co N5 O2 -","- C11 H30 Cl4 Co N5 O2 -","- C44 H120 Cl16 Co4 N20 O8 -","4","1","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0428","0.0312","","","0.0731","0.0782","","","","","","1.034","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310651","9.1961","0.0004","11.5011","0.0004","21.128","0.001","90","","95.729","0.003","90","","2223.45","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 Cl3 Cu N4 Na2 O15.5 -","- C9 H23 Cl3 Cu N4 Na2 O15.557 -","- C36 H92 Cl12 Cu4 N16 Na8 O62.228 -","4","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.0601","0.0416","","","0.0982","0.1069","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310652","10.8115","0.0006","8.6745","0.0005","16.8259","0.0011","90","","98.476","0.003","90","","1560.77","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 Cl2 Co N4 O6 -","- C9 H21 Cl2 Co N4 O6 -","- C36 H84 Cl8 Co4 N16 O24 -","4","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.0531","0.0459","","","0.1099","0.1129","","","","","","1.205","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310653","12.5225","0.0008","9.1018","0.0004","13.6155","0.0008","90","","90","","90","","1551.86","0.15","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H22 Cl3 Co N4 O2 -","- C9 H22 Cl3 Co N4 O2 -","- C36 H88 Cl12 Co4 N16 O8 -","4","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.0337","0.0287","","","0.0633","0.0658","","","","","","1.061","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310654","34.4254","0.0015","8.4635","0.0006","14.1699","0.0012","90","","100.494","0.004","90","","4059.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H31 Cl Cu N5 O10.5 -","- C13 H30 Cl Cu N5 O10.5 -","- C104 H240 Cl8 Cu8 N40 O84 -","8","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.0868","0.0599","","","0.1445","0.1561","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310655","16.4548","0.0012","9.4028","0.0007","21.5332","0.001","90","","90","","90","","3331.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H29 Cl Cu N4 O4 -","- C11 H29 Cl Cu N4 O4 -","- C88 H232 Cl8 Cu8 N32 O32 -","8","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.0873","0.0504","","","0.0985","0.1144","","","","","","1.012","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310656","7.13","0.0003","9.3351","0.0005","25.8486","0.0013","90","","90","","90","","1720.46","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H22 Cl2 Cu N4 O8 -","- C9 H22 Cl2 Cu N4 O8 -","- C36 H88 Cl8 Cu4 N16 O32 -","4","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.063","0.05","","","0.117","0.1244","","","","","","1.048","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310657","8.2116","0.0003","20.1409","0.0011","13.2167","0.0006","90","","99.051","0.003","90","","2158.68","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 Cl2 Cu N5 O12 -","- C13 H27 Cl2 Cu N5 O12 -","- C52 H108 Cl8 Cu4 N20 O48 -","4","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.0797","0.0603","","","0.1449","0.1583","","","","","","0.988","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310658","9.522","0.001","14.165","0.004","21.528","0.004","90","","90","","90","","2903.7","1","296","2","296","2","","","","","","","synthesis as described","6","P b n m","-P 2c 2ab","62","","","","- C9 H22 Cl Cu N4 O4.5 -","- C9 H22 Cl Cu N4 O4.5 -","- C72 H176 Cl8 Cu8 N32 O36 -","8","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","x-ray","0.71073","MoKα","","0.1255","0.0751","","","0.2009","0.2358","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310659","29.702","0.006","15.845","0.003","17.87","0.004","90","","90","","90","","8410","3","293","2","293","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C26 H24 Ag Cr2 F12 K O16 P2 -","- C26 H24 Ag Cr2 F12 K O16 P2 -","- C208 H192 Ag8 Cr16 F96 K8 O128 P16 -","8","0.5","","Berthold Hoge; Christoph Thösen; Tobias Herrmann; Ashwani Vij","Preparation and Characterization of the Argentates: [Ag{P(CF3)2}2]-, [Ag{(μ-P(CF3)2)M(CO)5}2]- (M = Cr, W), and [Ag{(μ-P(C6F5)2)W(CO)5}2]-: X-ray Crystal Structure of [K(18-crown-6)][Ag{(μ-P(CF3)2)Cr(CO)5}2]","Inorganic Chemistry","2004","43","","1659","1666","10.1021/ic034936v","","","0.71073","MoKα","","0.0362","0.0284","","","0.0529","0.0545","","","","","","1.006","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310660","13.1504","0.0018","13.4147","0.0018","14.3338","0.0018","76.176","0.003","81.325","0.003","79.954","0.003","2401.9","0.6","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H100 F12 N22 O6 P2 Ru2 -","- C96 H100 F12 N22 O6 P2 Ru2 -","- C96 H100 F12 N22 O6 P2 Ru2 -","1","0.5","","Mousa Al-Noaimi; Glenn P. A. Yap; Robert J. Crutchley","Outer Sphere Perturbation of Delocalized Mixed-Valence Complexes","Inorganic Chemistry","2004","43","","1770","1778","10.1021/ic0349454","","","0.71073","MoKα","","0.1047","0.0619","","","0.1325","0.1533","","","","","","1.034","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310661","15.408","0.005","15.733","0.005","15.804","0.005","67.99","0.005","77.43","0.005","83.6","0.005","3464.9","1.9","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H44 Cu2 F9 N14 O9.5 S3 -","- C69 H44 Cu2 F9 N14 O9.5 S3 -","- C138 H88 Cu4 F18 N28 O19 S6 -","2","1","","Jane Kuzelka; Sumitra Mukhopadhyay; Bernhard Spingler; Stephen J. Lippard","Synthesis and Characterization of Cu2(I,I), Cu2(I,II), and Cu2(II,II) Compounds Supported by Two Phthalazine-Based Ligands: Influence of a Hydrophobic Pocket","Inorganic Chemistry","2004","43","","1751","1761","10.1021/ic035009r","","","0.71069","MoKα","","0.06","0.0413","","","0.1011","0.114","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310662","21.197","0.004","23.198","0.004","22.497","0.004","90","","111.357","0.003","90","","10303","3","188","2","188","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H23 Cu2 F9 N9.75 O10 S3 -","- C40.5 H23 Cu2 F9 N9.75 O10 S3 -","- C324 H184 Cu16 F72 N78 O80 S24 -","8","1","","Jane Kuzelka; Sumitra Mukhopadhyay; Bernhard Spingler; Stephen J. Lippard","Synthesis and Characterization of Cu2(I,I), Cu2(I,II), and Cu2(II,II) Compounds Supported by Two Phthalazine-Based Ligands: Influence of a Hydrophobic Pocket","Inorganic Chemistry","2004","43","","1751","1761","10.1021/ic035009r","","","0.71073","MoKα","","0.1217","0.0761","","","0.2162","0.2546","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310663","14.128","0.002","25.037","0.004","14.146","0.002","90","","95.695","0.003","90","","4979.1","1.3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H79 Cu4 N13 O28 S4 -","- C90 H79 Cu4 N13 O28 S4 -","- C180 H158 Cu8 N26 O56 S8 -","2","0.5","","Jane Kuzelka; Sumitra Mukhopadhyay; Bernhard Spingler; Stephen J. Lippard","Synthesis and Characterization of Cu2(I,I), Cu2(I,II), and Cu2(II,II) Compounds Supported by Two Phthalazine-Based Ligands: Influence of a Hydrophobic Pocket","Inorganic Chemistry","2004","43","","1751","1761","10.1021/ic035009r","","","0.71073","MoKα","","0.0682","0.0492","","","0.1281","0.1378","","","","","","1.034","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310664","15.005","0.008","18.358","0.01","16.459","0.009","90","","91.162","0.008","90","","4533","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H29 Cu2 F6 N7 O7 S2 -","- C43 H29 Cu2 F6 N7 O7 S2 -","- C172 H116 Cu8 F24 N28 O28 S8 -","4","1","","Jane Kuzelka; Sumitra Mukhopadhyay; Bernhard Spingler; Stephen J. Lippard","Synthesis and Characterization of Cu2(I,I), Cu2(I,II), and Cu2(II,II) Compounds Supported by Two Phthalazine-Based Ligands: Influence of a Hydrophobic Pocket","Inorganic Chemistry","2004","43","","1751","1761","10.1021/ic035009r","","","0.71073","MoKα","","0.063","0.05","","","0.1226","0.1301","","","","","","1.047","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310665","11.355","0.002","14.373","0.003","17.592","0.003","85.391","0.004","80.904","0.003","66.756","0.003","2604.4","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H38 B2 Cu2 F8 N8 -","- C58 H38 B2 Cu2 F8 N8 -","- C116 H76 B4 Cu4 F16 N16 -","2","1","","Jane Kuzelka; Sumitra Mukhopadhyay; Bernhard Spingler; Stephen J. Lippard","Synthesis and Characterization of Cu2(I,I), Cu2(I,II), and Cu2(II,II) Compounds Supported by Two Phthalazine-Based Ligands: Influence of a Hydrophobic Pocket","Inorganic Chemistry","2004","43","","1751","1761","10.1021/ic035009r","","","0.71073","MoKα","","0.0837","0.0602","","","0.1594","0.1771","","","","","","1.054","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310666","8.999","0.002","14.579","0.002","16.535","0.002","90","","93.16","0.05","90","","2166","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N Ni O2 P -","- C20 H24 Cl2 N Ni O2 P -","- C80 H96 Cl8 N4 Ni4 O8 P4 -","4","1","","Fredy Speiser; Pierre Braunstein; Lucien Saussine; Richard Welter","Nickel Complexes with New Bidentate P,N Phosphinitooxazoline and -Pyridine Ligands: Application for the Catalytic Oligomerization of Ethylene","Inorganic Chemistry","2004","43","","1649","1658","10.1021/ic035132i","","","0.71073","MoKα","","0.0678","0.0369","","","0.0803","0.0904","","","","","","1.015","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310667","9.151","0.005","10.262","0.005","11.874","0.005","99.291","0.005","108.428","0.005","98.439","0.005","1020.4","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Cl2 N Ni O P -","- C20 H20 Cl2 N Ni O P -","- C40 H40 Cl4 N2 Ni2 O2 P2 -","2","1","","Fredy Speiser; Pierre Braunstein; Lucien Saussine; Richard Welter","Nickel Complexes with New Bidentate P,N Phosphinitooxazoline and -Pyridine Ligands: Application for the Catalytic Oligomerization of Ethylene","Inorganic Chemistry","2004","43","","1649","1658","10.1021/ic035132i","","","0.71069","MoKα","","0.0503","0.0357","","","0.1109","0.1283","","","","","","1.073","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310668","10.2634","0.0003","16.955","0.0005","11.8716","0.0004","90","","98.079","0.005","90","","2045.34","0.11","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl2 N Ni O P -","- C21 H22 Cl2 N Ni O P -","- C84 H88 Cl8 N4 Ni4 O4 P4 -","4","1","","Fredy Speiser; Pierre Braunstein; Lucien Saussine; Richard Welter","Nickel Complexes with New Bidentate P,N Phosphinitooxazoline and -Pyridine Ligands: Application for the Catalytic Oligomerization of Ethylene","Inorganic Chemistry","2004","43","","1649","1658","10.1021/ic035132i","","","0.71073","MoKα","","0.1219","0.0888","","","0.231","0.2411","","","","","","1.176","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310669","9.267","0.005","9.28","0.005","13.987","0.005","96.05","0.005","94.418","0.005","118.67","0.005","1038.2","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Cl4 N2 Ni2 O2 P2 -","- C42 H44 Cl4 N2 Ni2 O2 P2 -","- C42 H44 Cl4 N2 Ni2 O2 P2 -","1","0.5","","Fredy Speiser; Pierre Braunstein; Lucien Saussine; Richard Welter","Nickel Complexes with New Bidentate P,N Phosphinitooxazoline and -Pyridine Ligands: Application for the Catalytic Oligomerization of Ethylene","Inorganic Chemistry","2004","43","","1649","1658","10.1021/ic035132i","","","0.71069","MoKα","","0.1179","0.0677","","","0.0973","0.1109","","","","","","1.093","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310670","7.866","0.005","8.854","0.006","13.619","0.009","90","","95.079","0.011","90","","944.8","1.1","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","Co(ppz2)Cl2","","","- C18 H14 Cl2 Co N4 -","- C18 H14 Cl2 Co N4 -","- C36 H28 Cl4 Co2 N8 -","2","1","","Xiaofan Ren; Bert D. Alleyne; Peter I. Djurovich; Chihaya Adachi; Irina Tsyba; Robert Bau; Mark E. Thompson","Organometallic Complexes as Hole-Transporting Materials in Organic Light-Emitting Diodes","Inorganic Chemistry","2004","43","","1697","1707","10.1021/ic035183f","","","0.71073","MoKα","","0.0255","0.0243","","","0.063","0.0638","","","","","","0.842","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310671","13.6121","0.0012","15.56","0.0012","22.9603","0.0017","90","","100.52","0.005","90","","4781.3","0.7","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","fac-Co(ppz)3","fac-tris-(1-phenylpyrazolato, N,C2)cobalt(III) [fac-Co(ppz)3]","","- C27.5 H22 Cl Co N6 -","- C27.5 H22 Cl Co N6 -","- C220 H176 Cl8 Co8 N48 -","8","2","","Xiaofan Ren; Bert D. Alleyne; Peter I. Djurovich; Chihaya Adachi; Irina Tsyba; Robert Bau; Mark E. Thompson","Organometallic Complexes as Hole-Transporting Materials in Organic Light-Emitting Diodes","Inorganic Chemistry","2004","43","","1697","1707","10.1021/ic035183f","","","0.71073","MoKα","","0.1062","0.0685","","","0.1679","0.1868","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310672","20.2377","0.0004","20.2377","0.0004","20.2377","0.0004","90","","90","","90","","8288.6","0.3","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","Gapma","tris-[2-(((pyrrole-2-yl)methylidene)amino)ethyl]amine gallium(III)","","- C21 H24 Ga N7 -","- C21 H24 Ga N7 -","- C336 H384 Ga16 N112 -","16","0.333333","","Xiaofan Ren; Bert D. Alleyne; Peter I. Djurovich; Chihaya Adachi; Irina Tsyba; Robert Bau; Mark E. Thompson","Organometallic Complexes as Hole-Transporting Materials in Organic Light-Emitting Diodes","Inorganic Chemistry","2004","43","","1697","1707","10.1021/ic035183f","","","0.71073","MoKα","","0.0288","0.025","","","0.0577","0.0585","","","","","","0.964","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310673","15.961","0.004","23.415","0.006","24.165","0.006","90","","91.832","0.005","90","","9026","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H68 Ho7 O44.5 -","- C73 H45.5 Ho7 O44.5 -","- C292 H182 Ho28 O178 -","4","1","","Xiang-Jun Zheng; Lin-Pei Jin; Song Gao","Synthesis and Characterization of Two Novel Lanthanide Coordination Polymers with an Open Framework Based on an Unprecedented [Ln7(μ3-OH)8]13+ Cluster","Inorganic Chemistry","2004","43","","1600","1602","10.1021/ic0352699","","","0.71073","MoKα","","0.1245","0.0619","","","0.1303","0.1668","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310674","15.825","0.004","23.261","0.006","23.883","0.007","90","","91.142","0.005","90","","8790","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H68 O44.5 Yb7 -","- C73 H45.5 O44.5 Yb7 -","- C292 H182 O178 Yb28 -","4","1","","Xiang-Jun Zheng; Lin-Pei Jin; Song Gao","Synthesis and Characterization of Two Novel Lanthanide Coordination Polymers with an Open Framework Based on an Unprecedented [Ln7(μ3-OH)8]13+ Cluster","Inorganic Chemistry","2004","43","","1600","1602","10.1021/ic0352699","","","0.71073","MoKα","","0.1334","0.063","","","0.1188","0.145","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310675","13.9012","0.0004","14.511","0.0003","16.5462","0.0004","67.493","0.004","81.366","0.003","63.664","0.005","2762.66","0.19","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H48 Cl4 N8 Zn2 -","- C68 H48 Cl4 N8 Zn2 -","- C136 H96 Cl8 N16 Zn4 -","2","1","","Hiroyuki Furuta; Tatsuki Morimoto; Atsuhiro Osuka","Structures and Ligand Exchange of N-Confused Porphyrin Dimer Complexes with Group 12 Metals","Inorganic Chemistry","2004","43","","1618","1624","10.1021/ic035294e","","","0.7107","MoKα","","","0.089","","","","0.121","","","","","","1.378","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310676","12.379","0.008","15.64","0.01","17.46","0.01","63.24","0.06","78.22","0.06","67.43","0.06","2785","4","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H54 Cd2 N8 -","- C70 H54 Cd2 N8 -","- C140 H108 Cd4 N16 -","2","1","","Hiroyuki Furuta; Tatsuki Morimoto; Atsuhiro Osuka","Structures and Ligand Exchange of N-Confused Porphyrin Dimer Complexes with Group 12 Metals","Inorganic Chemistry","2004","43","","1618","1624","10.1021/ic035294e","","","0.7107","MoKα","","","0.085","","","","0.11","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310677","12.111","0.002","13.081","0.003","15.513","0.003","90","","90","","90","","2457.6","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H26 F6 I N4 P Ru -","- C19 H26 F6 I N4 P Ru -","- C76 H104 F24 I4 N16 P4 Ru4 -","4","1","","Macarena Poyatos; Elena Mas-Marzá; Mercedes Sanaú; Eduardo Peris","Synthesis and Reactivity of New Chelate-N-Heterocyclic Biscarbene Complexes of Ruthenium","Inorganic Chemistry","2004","43","","1793","1798","10.1021/ic035307o","","","0.71073","MoKα","","0.0587","0.0519","","","0.1519","0.1627","","","","","","1.055","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310678","11.897","0.002","10.797","0.002","19.355","0.004","90","","100.017","0.005","90","","2448.3","0.8","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C20 H28 Cl F6 N4 P Ru -","- C20 H28 Cl F6 N4 P Ru -","- C80 H112 Cl4 F24 N16 P4 Ru4 -","4","2","","Macarena Poyatos; Elena Mas-Marzá; Mercedes Sanaú; Eduardo Peris","Synthesis and Reactivity of New Chelate-N-Heterocyclic Biscarbene Complexes of Ruthenium","Inorganic Chemistry","2004","43","","1793","1798","10.1021/ic035307o","","","0.71073","MoKα","","0.1589","0.0702","","","0.1468","0.1909","","","","","","0.957","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310679","10.82","0.003","14.054","0.004","15.32","0.004","90","","95.155","0.004","90","","2320.2","1.1","154","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Br4 Cr K Mn2 N10 O8 -","- C38 H28 Br4 Cr K Mn2 N10 O8 -","- C76 H56 Br8 Cr2 K2 Mn4 N20 O16 -","2","0.5","","Hye Jin Choi; Jennifer J. Sokol; Jeffrey R. Long","Raising the Spin-Reversal Barrier in Cyano-Bridged Single-Molecule Magnets: Linear MnIII2MIII(CN)6 (M = Cr, Fe) Species Incorporating [(5-Brsalen)Mn]+ Units","Inorganic Chemistry","2004","43","","1606","1608","10.1021/ic035327q","","","0.71073","MoKα","","0.0502","0.0368","","","0.0936","0.0998","","","","","","1.055","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310680","10.8285","0.0018","13.972","0.002","15.154","0.003","90","","95.376","0.002","90","","2282.7","0.7","154","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br4 Fe K Mn2 N10 O8 -","- C38 H28 Br4 Fe K Mn2 N10 O8 -","- C76 H56 Br8 Fe2 K2 Mn4 N20 O16 -","2","0.5","","Hye Jin Choi; Jennifer J. Sokol; Jeffrey R. Long","Raising the Spin-Reversal Barrier in Cyano-Bridged Single-Molecule Magnets: Linear MnIII2MIII(CN)6 (M = Cr, Fe) Species Incorporating [(5-Brsalen)Mn]+ Units","Inorganic Chemistry","2004","43","","1606","1608","10.1021/ic035327q","","","0.71073","MoKα","","0.0529","0.0377","","","0.0927","0.0994","","","","","","1.041","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310681","17.0208","0.0019","17.3799","0.0017","24.39","0.003","90","","97.174","0.009","90","","7158.6","1.4","140","2","140","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C71 H76 Cl6 N6 O10 Ru3 -","- C71 H62 Cl6 N6 O10 Ru3 -","- C284 H248 Cl24 N24 O40 Ru12 -","4","1","","Marie-Line Lehaire; Rosario Scopelliti; Lorenz Herdeis; Kurt Polborn; Peter Mayer; Kay Severin","Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and Cp*RhIII Complexes","Inorganic Chemistry","2004","43","","1609","1617","10.1021/ic035328i","","","0.71073","MoKα","","0.1394","0.0735","","","0.1613","0.1864","","","","","","0.792","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310682","9.6579","0.0002","11.8111","0.0002","17.6881","0.00029","107.729","0.0014","90.3147","0.0013","109.576","0.0008","1797.74","0.06","200","2","200","2","","","","","","","provided by K. Severin","6","P -1","-P 1","2","","","","- C33 H41 Cl3 N2 O8 Rh2 -","- C33 H41 Cl3 N2 O8 Rh2 -","- C66 H82 Cl6 N4 O16 Rh4 -","2","1","","Marie-Line Lehaire; Rosario Scopelliti; Lorenz Herdeis; Kurt Polborn; Peter Mayer; Kay Severin","Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and Cp*RhIII Complexes","Inorganic Chemistry","2004","43","","1609","1617","10.1021/ic035328i","","","0.71069","MoKα","","0.0505","0.0356","","","0.0929","0.1076","","","","","","1.128","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310683","10.0605","0.0008","23.73","0.005","11.316","0.002","90","","113.949","0.011","90","","2469","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl12 N4 O4 Rh2 -","- C36 H42 Cl12 N4 O4 Rh2 -","- C72 H84 Cl24 N8 O8 Rh4 -","2","0.5","","Marie-Line Lehaire; Rosario Scopelliti; Lorenz Herdeis; Kurt Polborn; Peter Mayer; Kay Severin","Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and Cp*RhIII Complexes","Inorganic Chemistry","2004","43","","1609","1617","10.1021/ic035328i","","","0.71073","MoKα","","0.0431","0.0373","","0.0946","0.0907","","","","1.074","1.098","1.098","","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310684","16.8483","0.0006","16.8483","0.0006","16.5554","0.0008","90","","90","","90","","4699.5","0.3","140","2","140","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C64 H76 Cl24 N8 O8 Rh4 -","- C64 H76 Cl24 N8 O8 Rh4 -","- C128 H152 Cl48 N16 O16 Rh8 -","2","0.25","","Marie-Line Lehaire; Rosario Scopelliti; Lorenz Herdeis; Kurt Polborn; Peter Mayer; Kay Severin","Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and Cp*RhIII Complexes","Inorganic Chemistry","2004","43","","1609","1617","10.1021/ic035328i","","","0.71073","MoKα","","0.0262","0.0243","","","0.0602","0.0611","","","","","","1.039","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310685","24.7004","0.0017","18.2764","0.0017","27.586","0.002","90","","90","","90","","12453.3","1.7","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H71 Cl6 N3 O6 Ru3 -","- C64 H71 Cl6 N3 O6 Ru3 -","- C512 H568 Cl48 N24 O48 Ru24 -","8","1","","Marie-Line Lehaire; Rosario Scopelliti; Lorenz Herdeis; Kurt Polborn; Peter Mayer; Kay Severin","Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and Cp*RhIII Complexes","Inorganic Chemistry","2004","43","","1609","1617","10.1021/ic035328i","","","0.71073","MoKα","","0.0801","0.0531","","","0.1327","0.1529","","","","","","1.105","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310686","7.901","0.004","13.597","0.006","17.565","0.01","90","","96.46","0.04","90","","1875","1.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 F12 N8 Ni2 O2 P2 -","- C26 H52 F12 N8 Ni2 O2 P2 -","- C52 H104 F24 N16 Ni4 O4 P4 -","2","0.5","","M. Dolores Santana; Gabriel García; Miguel Julve; Francesc Lloret; José Pérez; Malva Liu; Francisco Sanz; Joan Cano; Gregorio López","Oxamidate-Bridged Dinuclear Five-Coordinate Nickel(II) Complexes: A Magneto-Structural Study","Inorganic Chemistry","2004","43","","2132","2140","10.1021/ic030050f","","","0.71073","MoKα","","0.123","0.0564","","","0.0988","0.1164","","","","","","0.963","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310687","13.854","0.003","17.469","0.004","12.543","0.003","90","","116.22","0.03","90","","2723.3","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 F12 N8 Ni2 O4 P2 -","- C44 H72 F12 N8 Ni2 O4 P2 -","- C88 H144 F24 N16 Ni4 O8 P4 -","2","0.5","","M. Dolores Santana; Gabriel García; Miguel Julve; Francesc Lloret; José Pérez; Malva Liu; Francisco Sanz; Joan Cano; Gregorio López","Oxamidate-Bridged Dinuclear Five-Coordinate Nickel(II) Complexes: A Magneto-Structural Study","Inorganic Chemistry","2004","43","","2132","2140","10.1021/ic030050f","","","0.71073","MoKα","","0.1526","0.05","","","0.1039","0.132","","","","","","0.852","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310688","21.6448","0.0013","21.6448","0.0013","12.9499","0.0011","90","","90","","90","","6067","0.7","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C76 H92 Cl4 Cu8 N44 O50 -","- C76 H92.08 Cl4 Cu8 N44 O50.02 -","- C152 H184.16 Cl8 Cu16 N88 O100.04 -","2","0.25","","Victoria A. Milway; Virginie Niel; Tareque S. M. Abedin; Zhiqiang Xu; Laurence K. Thompson; Hilde Grove; David O. Miller; Stewart R. Parsons","Octanuclear and Nonanuclear Supramolecular Copper(II) Complexes with Linear ""Tritopic"" Ligands: Structural and Magnetic Studies","Inorganic Chemistry","2004","43","","1874","1884","10.1021/ic030113u","","","0.71073","MoKα","","0.0503","0.0435","","","0.1222","0.1272","","","","","","1.095","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310689","21.2562","0.0008","21.2562","0.0008","12.7583","0.0009","90","","90","","90","","5764.5","0.5","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C84 H88 Cl4 Cu8 N36 O44 -","- C84 H88 Cl4 Cu8 N36 O44 -","- C168 H176 Cl8 Cu16 N72 O88 -","2","0.25","","Victoria A. Milway; Virginie Niel; Tareque S. M. Abedin; Zhiqiang Xu; Laurence K. Thompson; Hilde Grove; David O. Miller; Stewart R. Parsons","Octanuclear and Nonanuclear Supramolecular Copper(II) Complexes with Linear ""Tritopic"" Ligands: Structural and Magnetic Studies","Inorganic Chemistry","2004","43","","1874","1884","10.1021/ic030113u","","","0.71073","MoKα","","0.0753","0.0554","","","0.1374","0.1477","","","","","","1.011","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310690","19.0832","0.0016","19.141","0.0016","23.4911","0.0019","76.602","0.002","89.71","0.002","89.96","0.002","8347","1.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H134 Cu9 N60 O52 -","- C120 H102 Cu9 N60 O52 -","- C240 H204 Cu18 N120 O104 -","2","1","","Victoria A. Milway; Virginie Niel; Tareque S. M. Abedin; Zhiqiang Xu; Laurence K. Thompson; Hilde Grove; David O. Miller; Stewart R. Parsons","Octanuclear and Nonanuclear Supramolecular Copper(II) Complexes with Linear ""Tritopic"" Ligands: Structural and Magnetic Studies","Inorganic Chemistry","2004","43","","1874","1884","10.1021/ic030113u","","","0.71073","MoKα","","0.1406","0.0983","","","0.3126","0.3464","","","","","","1.277","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310691","15.4729","0.0012","19.869","0.0016","23.0835","0.0018","88.89","0.002","81.511","0.002","68.607","0.001","6530.7","0.9","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H104 Cu9 N46 O56 -","- C104 H92 Cu9 N46 O56 -","- C208 H184 Cu18 N92 O112 -","2","1","","Victoria A. Milway; Virginie Niel; Tareque S. M. Abedin; Zhiqiang Xu; Laurence K. Thompson; Hilde Grove; David O. Miller; Stewart R. Parsons","Octanuclear and Nonanuclear Supramolecular Copper(II) Complexes with Linear ""Tritopic"" Ligands: Structural and Magnetic Studies","Inorganic Chemistry","2004","43","","1874","1884","10.1021/ic030113u","","","0.71073","MoKα","","0.1382","0.0754","","","0.1774","0.2113","","","","","","1.01","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310692","9.296","0.003","9.933","0.003","10.412","0.003","79.054","0.005","82.478","0.006","67.099","0.005","867.8","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","mu-chloro-mu-[2,5-di(2-pyridyl)-1,3,4-thiadiazole] aquachlorocopper(II) dichlorocopper(II)","mu-chloro-mu-[2,5-di(2-pyridyl)-1,3,4-thiadiazole] aquachlorocopper(II) dichlorocopper(II)","","- C12 H10 Cl4 Cu2 N4 O S -","- C12 H10 Cl4 Cu2 N4 O S -","- C24 H20 Cl8 Cu4 N8 O2 S2 -","2","1","","Fouad Bentiss; Michel Lagrenée; Olivier Mentré; Pierre Conflant; Hervé Vezin; Jean Pierre Wignacourt; Elizabeth M. Holt","Intermolecular Magnetic Couplings in the Dinuclear Copper(II) Complex μ-Chloro-μ-[2,5-bis(2-pyridyl)-1,3,4-thiadiazole] Aqua Chlorocopper(II) Dichlorocopper(II): Synthesis, Crystal Structure, and EPR and Magnetic Characterization","Inorganic Chemistry","2004","43","","1865","1873","10.1021/ic030128s","","","0.71073","MoKα","","0.046","0.0428","","","0.117","0.1203","","","","","","1.013","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310693","7.674","0.003","7.703","0.003","8.476","0.003","95.746","0.006","102.678","0.005","97.648","0.005","480.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","copper(14ane) tetraazidocopper(II)","","","- C10 H24 B0 Cu2 F0 N16 -","- C10 H24 Cu2 N16 -","- C10 H24 Cu2 N16 -","1","0.5","","Brooke Woodard; Roger D. Willett; Salim Haddad; Brendan Twamley; Carlos J. Gomez-Garcia; Eugenio Coronado","Structure of Two Azide Salts of a Copper(II) Macrocycle and Magnetic Properties of Cu(14ane)Cu(N3)4","Inorganic Chemistry","2004","43","","1822","1824","10.1021/ic030272d","","","0.71073","MoKα","","0.0507","0.0277","","","0.055","0.0602","","","","","","1.031","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310694","8.6375","0.001","13.9812","0.0017","14.089","0.0017","90","","99.71","0.002","90","","1677","0.3","566","2","566","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","azidocopper(14ane) tetrafluoroborate","","","- C10 H20 B Cu F4 N7 -","- C10 H24 B Cu F4 N7 -","- C40 H96 B4 Cu4 F16 N28 -","4","1","","Brooke Woodard; Roger D. Willett; Salim Haddad; Brendan Twamley; Carlos J. Gomez-Garcia; Eugenio Coronado","Structure of Two Azide Salts of a Copper(II) Macrocycle and Magnetic Properties of Cu(14ane)Cu(N3)4","Inorganic Chemistry","2004","43","","1822","1824","10.1021/ic030272d","","","0.71073","MoKα","","0.0412","0.0344","","","0.1036","0.1086","","","","","","1.095","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310695","9.8308","0.0011","12.205","0.002","16.792","0.002","90","","91.364","0.015","90","","2014.2","0.5","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H27 Fe N O -","- C25 H27 Fe N O -","- C100 H108 Fe4 N4 O4 -","4","1","","Jérôme Maynadié; Béatrice Delavaux-Nicot; Dominique Lavabre; Bruno Donnadieu; Jean-Claude Daran; Alix Sournia-Saquet","From Calcium Interaction to Calcium Electrochemical Detection by [(C5H5)Fe(C5H4COCHCHC6H4NEt2)] and Its Two Novel Structurally Characterized Derivatives","Inorganic Chemistry","2004","43","","2064","2077","10.1021/ic0345828","","","0.71073","MoKα","","0.0946","0.0488","","","0.093","0.1058","","","","","","0.92","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310696","5.705","0.001","26.841","0.005","12.086","0.002","90","","90.55","0.03","90","","1850.6","0.6","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Fe N O -","- C23 H23 Fe N O -","- C92 H92 Fe4 N4 O4 -","4","1","","Jérôme Maynadié; Béatrice Delavaux-Nicot; Dominique Lavabre; Bruno Donnadieu; Jean-Claude Daran; Alix Sournia-Saquet","From Calcium Interaction to Calcium Electrochemical Detection by [(C5H5)Fe(C5H4COCHCHC6H4NEt2)] and Its Two Novel Structurally Characterized Derivatives","Inorganic Chemistry","2004","43","","2064","2077","10.1021/ic0345828","","","0.71073","MoKα","","0.0621","0.0397","","","0.0926","0.1013","","","","","","0.967","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310697","5.0349","0.0002","9.4539","0.0004","18.6092","0.0008","90","","90","","90","","885.79","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N2 O6 P Zn -","- C4 H9 N2 O6 P Zn -","- C16 H36 N8 O24 P4 Zn4 -","4","1","","Laura E. Gordon; William T. A. Harrison","Amino Acid Templating of Inorganic Networks: Synthesis and Structure of l-Asparagine Zinc Phosphite, C4N2O3H8.ZnHPO3","Inorganic Chemistry","2004","43","","1808","1809","10.1021/ic0346127","","","0.71073","MoKα","","0.0281","0.0237","","","0.0535","0.0547","","","","","","0.966","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310698","5.4868","0.0008","12.9116","0.0018","15.251","0.002","90","","98.843","0.002","90","","1067.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Co2 N2 O16 P4 -","- C8 H28 Co2 N2 O16 P4 -","- C16 H56 Co4 N4 O32 P8 -","2","0.5","","Li-Min Zheng; Song Gao; Ping Yin; Xin-Quan Xin","One-Dimensional Cobalt Diphosphonates Exhibiting Weak Ferromagnetism and Field-Induced Magnetic Transitions","Inorganic Chemistry","2004","43","","2151","2156","10.1021/ic034614r","","","0.71073","MoKα","","0.0493","0.0352","","","0.0715","0.0742","","","","","","0.924","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310699","5.4757","0.0007","12.774","0.0016","15.794","0.002","90","","98.797","0.002","90","","1091.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 Co2 N2 O16 P4 -","- C9 H20 Co2 N2 O16 P4 -","- C18 H40 Co4 N4 O32 P8 -","2","0.5","","Li-Min Zheng; Song Gao; Ping Yin; Xin-Quan Xin","One-Dimensional Cobalt Diphosphonates Exhibiting Weak Ferromagnetism and Field-Induced Magnetic Transitions","Inorganic Chemistry","2004","43","","2151","2156","10.1021/ic034614r","","","0.71073","MoKα","","0.0539","0.0427","","","0.1019","0.1075","","","","","","1.136","","","","has coordinates,has disorder","179145","2020-10-21","18:00:00",""
"4310700","10.9763","0.0012","27.265","0.003","13.88","0.0015","90","","90","","90","","4153.9","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H56 Ge9 K2 N6 O8 -","- C18 H42 Ge9 K2 N8 O4 -","- C72 H168 Ge36 K8 N32 O16 -","4","0.5","","Craig Downie; Jiang-Gao Mao; Hiten Parmar; Arnold M. Guloy","The Role of Sequestering Agents in the Formation and Structure of Germanium Anion Cluster Polymers","Inorganic Chemistry","2004","43","","1992","1997","10.1021/ic034704w","","","0.71073","MoKα","","0.1077","0.0621","","","0.1627","0.2026","","","","","","1.161","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310701","8.6472","0.0017","8.9312","0.0013","9.616","0.002","74.891","0.015","65.92","0.02","78.351","0.014","650.7","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 F6 N3 P -","- C9 H14 F6 N3 P -","- C18 H28 F12 N6 P2 -","2","1","","Dongbin Zhao; Zhaofu Fei; Rosario Scopelliti; Paul J. Dyson","Synthesis and Characterization of Ionic Liquids Incorporating the Nitrile Functionality","Inorganic Chemistry","2004","43","","2197","2205","10.1021/ic034801p","","","0.71073","MoKα","","0.057","0.0501","","","0.1409","0.1467","","","","","","1.054","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310702","15.0177","0.0017","6.2979","0.0007","7.8712","0.0005","90","","90","","90","","744.46","0.13","140","2","140","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N3 -","- C6 H8 Cl N3 -","- C24 H32 Cl4 N12 -","4","0.5","","Dongbin Zhao; Zhaofu Fei; Rosario Scopelliti; Paul J. Dyson","Synthesis and Characterization of Ionic Liquids Incorporating the Nitrile Functionality","Inorganic Chemistry","2004","43","","2197","2205","10.1021/ic034801p","","","0.71073","MoKα","","0.0328","0.0273","","","0.0724","0.0753","","","","","","1.084","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310703","8.737","0.003","11.015","0.003","10.4099","0.0013","90","","102.503","0.018","90","","978.1","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl N3 -","- C8 H12 Cl N3 -","- C32 H48 Cl4 N12 -","4","1","","Dongbin Zhao; Zhaofu Fei; Rosario Scopelliti; Paul J. Dyson","Synthesis and Characterization of Ionic Liquids Incorporating the Nitrile Functionality","Inorganic Chemistry","2004","43","","2197","2205","10.1021/ic034801p","","","0.7107","MoKα","","0.0546","0.0525","","","0.1225","0.1259","","","","","","1.146","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310704","8.022","0.004","8.161","0.005","9.46","0.002","88.12","0.03","87.01","0.03","74.95","0.05","597.1","0.5","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 F6 N3 P -","- C8 H12 F6 N3 P -","- C16 H24 F12 N6 P2 -","2","1","","Dongbin Zhao; Zhaofu Fei; Rosario Scopelliti; Paul J. Dyson","Synthesis and Characterization of Ionic Liquids Incorporating the Nitrile Functionality","Inorganic Chemistry","2004","43","","2197","2205","10.1021/ic034801p","","","0.7107","MoKα","","0.0718","0.0579","","","0.1618","0.1794","","","","","","0.99","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310705","10.368","0.002","20.577","0.004","12.239","0.002","90","","107.97","0.03","90","","2483.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 O8 Pb2 -","- C60 H44 O8 Pb2 -","- C120 H88 O16 Pb4 -","2","0.5","","Jack M. Harrowfield; Saeed Maghaminia; Ali A. Soudi","Polyhapto-Aromatic Interactions in Lead(II) Coordination","Inorganic Chemistry","2004","43","","1810","1812","10.1021/ic034835x","","","0.71073","MoKα","","0.042","0.0214","","","0.0481","0.0528","","","","","","0.985","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310706","14.0153","0.0014","14.0153","0.0014","13.0833","0.0018","90","","90","","90","","2569.9","0.5","293","2","293","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- H7 O15 P U3 -","- O15 P U3 -","- O120 P8 U24 -","8","0.5","","Peter C. Burns; Cara M. Alexopoulos; Peter J. Hotchkiss; Andrew J. Locock","An Unprecedented Uranyl Phosphate Framework in the Structure of [(UO2)3(PO4)O(OH)(H2O)2](H2O)","Inorganic Chemistry","2004","43","","1816","1818","10.1021/ic0348547","","","0.71073","MoKα","","","0.0336","","","","0.0538","","","","","","0.751","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310707","11.642","0.002","10.285","0.003","13.622","0.002","90","","95.69","0.03","90","","1623","0.6","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 Cl0.5 Co0.5 Cu N7 O -","- C11 H24 Cl0.5 Co0.5 Cu N7 O -","- C44 H96 Cl2 Co2 Cu4 N28 O4 -","4","1","","Manas K. Saha; Francesc Lloret; Ivan Bernal","Inter-String Arrays of Bimetallic Assemblies with Alternative Cu2±Cl-Cu2+ and Cu-NC-M (M = Co3+, Fe+3, Cr+3) Bridges: Syntheses, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2004","43","","1969","1975","10.1021/ic034897n","","x-ray","0.71073","MoKα","","0.093","0.0527","","","0.1258","0.1559","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310708","11.681","0.004","10.315","0.003","13.567","0.005","90","","95.62","0.03","90","","1626.8","0.9","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 Cl0.5 Cu Fe0.5 N7 O -","- C11 H24 Cl0.5 Cu Fe0.5 N7 O -","- C44 H96 Cl2 Cu4 Fe2 N28 O4 -","4","1","","Manas K. Saha; Francesc Lloret; Ivan Bernal","Inter-String Arrays of Bimetallic Assemblies with Alternative Cu2±Cl-Cu2+ and Cu-NC-M (M = Co3+, Fe+3, Cr+3) Bridges: Syntheses, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2004","43","","1969","1975","10.1021/ic034897n","","x-ray","0.71073","MoKα","","0.0656","0.0396","","","0.1005","0.1131","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310709","11.782","0.004","10.386","0.002","13.755","0.004","90","","95.51","0.03","90","","1675.4","0.8","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 Cl0.5 Cr0.5 Cu N7 O -","- C11 H24 Cl0.5 Cr0.5 Cu N7 O -","- C44 H96 Cl2 Cr2 Cu4 N28 O4 -","4","1","","Manas K. Saha; Francesc Lloret; Ivan Bernal","Inter-String Arrays of Bimetallic Assemblies with Alternative Cu2±Cl-Cu2+ and Cu-NC-M (M = Co3+, Fe+3, Cr+3) Bridges: Syntheses, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2004","43","","1969","1975","10.1021/ic034897n","","x-ray","0.71073","MoKα","","0.1121","0.0445","","","0.1124","0.1343","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310710","10.8947","0.0013","20.343","0.002","22.833","0.003","90","","90","","90","","5060.5","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Cl Fe N8 O6 -","- C23 H23 Cl Fe N8 O6 -","- C184 H184 Cl8 Fe8 N64 O48 -","8","1","","Gilles Lemercier; Etienne Mulliez; Chantal Brouca-Cabarrecq; Françoise Dahan; Jean-Pierre Tuchagues","Iron(II) Carboxylate Complexes Based on a Tetraimidazole Ligand as Models of the Photosynthetic Non-Heme Ferrous Sites: Synthesis, Crystal Structure, and Mössbauer and Magnetic Studies","Inorganic Chemistry","2004","43","","2105","2113","10.1021/ic034907k","","","0.71073","MoKα","","0.0431","0.0383","","","0.0927","0.0931","","","","","","0.847","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310711","17.117","0.002","10.3358","0.0012","25.658","0.003","90","","90.301","0.013","90","","4539.3","0.9","293","2","293","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C17 H19 Cl Fe N8 O6 -","- C17 H19 Cl Fe N8 O6 -","- C136 H152 Cl8 Fe8 N64 O48 -","8","2","","Gilles Lemercier; Etienne Mulliez; Chantal Brouca-Cabarrecq; Françoise Dahan; Jean-Pierre Tuchagues","Iron(II) Carboxylate Complexes Based on a Tetraimidazole Ligand as Models of the Photosynthetic Non-Heme Ferrous Sites: Synthesis, Crystal Structure, and Mössbauer and Magnetic Studies","Inorganic Chemistry","2004","43","","2105","2113","10.1021/ic034907k","","","0.71073","MoKα","","0.0404","0.0259","","","0.0585","0.0632","","","","","","1.039","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310712","15.913","0.002","21.616","0.004","42.739","0.01","90","","90","","90","","14701","5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C64 H52 Cu5 N8 O18 -","- C64 H48 Cu5 N8 O18 -","- C512 H384 Cu40 N64 O144 -","8","0.25","","Hong Zhao; Zhi-Rong Qu; Qiong Ye; Xi-Sen Wang; Jing Zhang; Ren-Gen Xiong; Xiao-Zeng You","An Unusual Mixed-Valence Cu(I)-Cu(II) 3-D Framework","Inorganic Chemistry","2004","43","","1813","1815","10.1021/ic034943j","","","0.71073","MoKα","","0.2032","0.0892","","","0.2459","0.3197","","","","","","0.993","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310713","8.335","0.0002","8.335","0.0002","5.06","0.0001","90","","90","","90","","351.529","0.014","173","2","173","2","","","","","","","","2","P 42/m b c","-P 4c 2ab","135","","","","- O2 Se -","- O2 Se -","- O16 Se8 -","8","0.5","","Tiina Maaninen; Heikki M. Tuononen; Gabriele Schatte; Reijo Suontamo; Jussi Valkonen; Risto Laitinen; Tristram Chivers","Experimental and Theoretical Investigations of Structural Trends for Selenium(IV) Imides and Oxides: X-ray Structure of Se3(NAd)2","Inorganic Chemistry","2004","43","","2097","2104","10.1021/ic034944b","","","0.71073","MoKα","","0.0233","0.0231","","","0.0581","0.0582","","","","","","1.105","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310714","27.259","0.0002","6.585","0.0004","21.634","0.0009","90","0.0012","100.152","0.0011","90","0.002","3822.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N2 Se3 -","- C20 H30 N2 Se3 -","- C160 H240 N16 Se24 -","8","1","","Tiina Maaninen; Heikki M. Tuononen; Gabriele Schatte; Reijo Suontamo; Jussi Valkonen; Risto Laitinen; Tristram Chivers","Experimental and Theoretical Investigations of Structural Trends for Selenium(IV) Imides and Oxides: X-ray Structure of Se3(NAd)2","Inorganic Chemistry","2004","43","","2097","2104","10.1021/ic034944b","","","0.71073","MoKα","","0.1015","0.0543","","","0.0707","0.0784","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310715","10.5887","0.0014","10.7696","0.0014","11.6714","0.0015","105.587","0.003","111.282","0.002","104.176","0.002","1104.2","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 Mo6 N6 Na8 O20 Se8 -","- C6 Mo6 N6 Na8 O20 Se8 -","- C6 Mo6 N6 Na8 O20 Se8 -","1","0.5","","Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks","Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters","Inorganic Chemistry","2004","43","","1902","1911","10.1021/ic035050u","","","0.71073","MoKα","","0.0696","0.0436","","","0.1006","0.1083","","","","","","0.921","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310716","11.8498","0.0005","12.236","0.0006","24.4645","0.0011","90","","90","","90","","3547.2","0.3","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C13 H4 K7 Mo4 N12 Na O6 Se4 -","- C13 K7 Mo4 N12 Na O5.99 Se4 -","- C52 K28 Mo16 N48 Na4 O23.96 Se16 -","4","1","","Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks","Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters","Inorganic Chemistry","2004","43","","1902","1911","10.1021/ic035050u","","","0.71073","MoKα","","0.0217","0.0203","","","0.0492","0.0495","","","","","","1.043","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310717","11.5386","0.001","11.5386","0.001","28.264","0.003","90","","90","","120","","3258.9","0.5","110","2","110","2","","","","","","","","7","R 3 m :H","R 3 -2""","160","","","","- C12 Cl3 Cs7 Mo4 N12 Na4 Se4 -","- C12 Cl3.013 Cs7 Mo4 N12 Na4 Se4 -","- C36 Cl9.039 Cs21 Mo12 N36 Na12 Se12 -","3","0.166667","","Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks","Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters","Inorganic Chemistry","2004","43","","1902","1911","10.1021/ic035050u","","","0.71073","MoKα","","0.069","0.0448","","","0.0962","0.1043","","","","","","1.139","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310718","15.362","0.002","15.362","0.002","11.055","0.002","90","","90","","90","","2608.9","0.7","110","2","110","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C12 Mo4 N12 Na8 Se4 -","- C12 Mo4 N12 Na8 Se4 -","- C48 Mo16 N48 Na32 Se16 -","4","0.125","","Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks","Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters","Inorganic Chemistry","2004","43","","1902","1911","10.1021/ic035050u","","","0.71073","MoKα","","0.0651","0.0462","","","0.1013","0.119","","","","","","1.295","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310719","11.744","0.002","11.849","0.002","14.331","0.003","90","","90","","90","","1994.2","0.6","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C12 K4 Mo4 N12 Na4 O12 Se4 -","- C12 K4 Mo4 N12 Na4 O12.02 Se4 -","- C24 K8 Mo8 N24 Na8 O24.04 Se8 -","2","0.5","","Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks","Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters","Inorganic Chemistry","2004","43","","1902","1911","10.1021/ic035050u","","","0.71073","MoKα","","0.036","0.0357","","","0.0951","0.0957","","","","","","1.045","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310720","17.2324","0.0006","13.274","0.0005","10.9467","0.0004","90","","96.974","0.002","90","","2485.45","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(ethylenedithio)tetrathiafulvalenium bis(1,2,5-thiadizole-3,4-dithiol) Nickel (II)","","- C14 H8 N4 Ni S14 -","- C14 H8 N4 Ni S14 -","- C56 H32 N16 Ni4 S56 -","4","1","","S. Curreli; P. Deplano; M. L. Mercuri; L. Pilia; A. Serpe; John A. Schlueter; Michael A. Whited; Urs Geiser; E. Coronado; C. J. Gómez-García; E. Canadell","Synthesis, Crystal Structure, and Physical Properties of (BEDT-TTF)[Ni(tdas)~2~] (BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene; tdas = 1,2,5-Thiadiazole-3,4-dithiolate): First Monomeric [Ni(tdas)~2~]- Monoanion","Inorganic Chemistry","2004","43","","2049","2056","10.1021/ic035079y","","","0.71073","MoKα","","0.0719","0.0378","","","0.0853","0.1009","","","","","","1.004","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310721","22.2209","0.0004","8.8241","0.0002","24.1119","0.0006","90","","90","","90","","4727.85","0.18","296","2","296","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C14 H27 Cl N4 O9 P2 S Sn -","- C14 H27 Cl N4 O9 P2 S Sn -","- C112 H216 Cl8 N32 O72 P16 S8 Sn8 -","8","1","","José S. Casas; Eduardo E. Castellano; María D. Couce; Javier Ellena; Agustín Sánchez; José L. Sánchez; José Sordo; Carmen Taboada","The Reaction of Dimethyltin(IV) Dichloride with Thiamine Diphosphate (H2TDP): Synthesis and Structure of [SnMe2(HTDP)(H2O)]Cl.H2O, and Possibility of a Hitherto Unsuspected Role of the Metal Cofactor in the Mechanism of Vitamin-B1-Dependent Enzymes","Inorganic Chemistry","2004","43","","1957","1963","10.1021/ic0351141","","x-ray","0.71073","MoKα","","0.0652","0.0355","","","0.0812","0.0975","","","","","","1.024","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310722","11.413","0.005","21.241","0.005","23.044","0.005","90","","100.773","0.005","90","","5488","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Co11 N5 O22 -","- C36 H42 Co11 N5 O22 -","- C144 H168 Co44 N20 O88 -","4","1","","Alessandro Fumagalli; Paola Ulivieri; Michela Costa; Ornella Crispu; Roberto Della Pergola; Fabrizia Fabrizi de Biani; Franco Laschi; Piero Zanello; Piero Macchi; Angelo Sironi","Electron Transfer and CO Addition to Polynitrido Cobalt Carbonyl Clusters: Parallel Pathways for Conversion of the [Co10N2(CO)19]4- Anion to the Novel [Co11N2(CO)21]3- Anion","Inorganic Chemistry","2004","43","","2125","2131","10.1021/ic035133a","","","0.71073","MoKα","","0.1242","0.0628","","","0.1332","0.1532","","","","","","1.007","","","","has coordinates","198640","2020-10-21","18:00:00",""
"4310723","12.359","0.005","13.438","0.005","24.389","0.005","83.072","0.005","81.041","0.005","64.237","0.005","3597","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H72 Co11 Cs N4 O21 -","- C53 H72 Co11 Cs N4 O21 -","- C106 H144 Co22 Cs2 N8 O42 -","2","1","","Alessandro Fumagalli; Paola Ulivieri; Michela Costa; Ornella Crispu; Roberto Della Pergola; Fabrizia Fabrizi de Biani; Franco Laschi; Piero Zanello; Piero Macchi; Angelo Sironi","Electron Transfer and CO Addition to Polynitrido Cobalt Carbonyl Clusters: Parallel Pathways for Conversion of the [Co10N2(CO)19]4- Anion to the Novel [Co11N2(CO)21]3- Anion","Inorganic Chemistry","2004","43","","2125","2131","10.1021/ic035133a","","","0.71069","MoKα","","0.1667","0.061","","","0.147","0.1987","","","","","","0.941","","","","has coordinates","198640","2020-10-21","18:00:00",""
"4310724","20.13","0.004","6.6921","0.0013","13.081","0.003","90","","102.78","0.03","90","","1718.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cd3 N2 O12 -","- C14 H12 Cd3 N2 O12 -","- C56 H48 Cd12 N8 O48 -","4","0.5","","Xinlong Wang; Chao Qin; Enbo Wang; Yangguang Li; Na Hao; Changwen Hu; Lin Xu","Syntheses, Structures, and Photoluminescence of a Novel Class of d10 Metal Complexes Constructed from Pyridine-3,4-dicarboxylic Acid with Different Coordination Architectures","Inorganic Chemistry","2004","43","","1850","1856","10.1021/ic035151s","","","0.71073","MoKα","","0.0259","0.0241","","","0.0666","0.0681","","","","","","0.993","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310725","8.4225","0.0017","6.5742","0.0013","12.899","0.003","90","","90","","90","","714.2","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H3 N O4 Zn -","- C7 H3 N O4 Zn -","- C28 H12 N4 O16 Zn4 -","4","1","","Xinlong Wang; Chao Qin; Enbo Wang; Yangguang Li; Na Hao; Changwen Hu; Lin Xu","Syntheses, Structures, and Photoluminescence of a Novel Class of d10 Metal Complexes Constructed from Pyridine-3,4-dicarboxylic Acid with Different Coordination Architectures","Inorganic Chemistry","2004","43","","1850","1856","10.1021/ic035151s","","","0.71073","MoKα","","0.0308","0.0263","","","0.0457","0.0465","","","","","","0.883","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310726","22.8081","0.0016","27.075","0.002","30.787","0.002","90","","103.255","0.006","90","","18505","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H89 Cl N8 Ni2 Pt -","- C116 H89 Cl N8 Ni2 Pt -","- C928 H712 Cl8 N64 Ni16 Pt8 -","8","1","","Piotr J. Chmielewski; Izabela Schmidt","Diastereoselective Assembling of 21-C-Alkylated Nickel(II) Complexes of Inverted Porphyrin on a Platinum(II) Template","Inorganic Chemistry","2004","43","","1885","1894","10.1021/ic035162l","","","0.71073","MoKα","","0.3302","0.1434","","","0.2121","0.2737","","","","","","1.069","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310727","12.4693","0.0009","9.9918","0.0004","21.144","0.001","90","","97.924","0.008","90","","2609.2","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ammoniumtetraphenylborate-Ammonia(1/5)?","","- C24 H39 B N6 -","- C24 H39 B N6 -","- C96 H156 B4 N24 -","4","1","","Thomas Rossmeier; Markus Reil; Nikolaus Korber","First Characterization of the Ammine-Ammonium Complex [{NH4(NH3)4}2(μ-NH3)2]2+ in the Crystal Structure of [NH4(NH3)4][B(C6H5)4].NH3 and the [NH4(NH3)4]+ Complex in [NH4(NH3)4][Ca(NH3)7]As3S6.2NH3 and [NH4(NH3)4][Ba(NH3)8]As3S6.NH3","Inorganic Chemistry","2004","43","","2206","2212","10.1021/ic035175z","","","0.71073","MoKα","","0.1142","0.0423","","","0.0734","0.086","","","","","","0.72","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310728","12.192","0.001","12.428","0.001","19.396","0.001","90","","90","","90","","2938.9","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium Dicalcium Hexathiotriarsenate(III)-Ammonia(1/13)","","- As3 Ca H43 N14 S6 -","- As3 Ca H43 N14 S6 -","- As12 Ca4 H172 N56 S24 -","4","1","","Thomas Rossmeier; Markus Reil; Nikolaus Korber","First Characterization of the Ammine-Ammonium Complex [{NH4(NH3)4}2(μ-NH3)2]2+ in the Crystal Structure of [NH4(NH3)4][B(C6H5)4].NH3 and the [NH4(NH3)4]+ Complex in [NH4(NH3)4][Ca(NH3)7]As3S6.2NH3 and [NH4(NH3)4][Ba(NH3)8]As3S6.NH3","Inorganic Chemistry","2004","43","","2206","2212","10.1021/ic035175z","","","0.71073","MoKα","","0.0527","0.0332","","","0.0511","0.0544","","","","","","0.773","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310729","12.393","","12.63","","19.382","","90","","90","","90","","3033.74","","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium Dibarium Hexathiotriarsenate(III)-Ammonia(1/13)","","- As3 Ba H43 N14 S6 -","- As3 Ba H43 N14 S6 -","- As12 Ba4 H172 N56 S24 -","4","1","","Thomas Rossmeier; Markus Reil; Nikolaus Korber","First Characterization of the Ammine-Ammonium Complex [{NH4(NH3)4}2(μ-NH3)2]2+ in the Crystal Structure of [NH4(NH3)4][B(C6H5)4].NH3 and the [NH4(NH3)4]+ Complex in [NH4(NH3)4][Ca(NH3)7]As3S6.2NH3 and [NH4(NH3)4][Ba(NH3)8]As3S6.NH3","Inorganic Chemistry","2004","43","","2206","2212","10.1021/ic035175z","","","0.71073","MoKα","","0.037","0.0326","","","0.0765","0.0777","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310730","17.4308","0.0004","9.0312","0.0002","26.7601","0.0007","90","","104.496","0.001","90","","4078.5","0.17","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H35 Br Ir N5 O5 -","- C45 H31 Br Ir N5 O5 -","- C180 H124 Br4 Ir4 N20 O20 -","4","1","","Matthew Polson; Sandro Fracasso; Valerio Bertolasi; Marcella Ravaglia; Franco Scandola","Iridium Cyclometalated Complexes with Axial Symmetry. Synthesis and Photophysical Properties of a trans-Biscyclometalated Complex Containing the Terdentate Ligand 2,6-Diphenylpyridine","Inorganic Chemistry","2004","43","","1950","1956","10.1021/ic0351848","","","0.71073","MoKα","","0.0881","0.059","","","0.1319","0.1418","","","","","","1.114","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310731","12.8389","0.0014","18.934","0.002","27.128","0.003","90","","90.614","0.002","90","","6594.2","1.2","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H43 B Cl2 F24 O3 P2 Ru -","- C67 H43 B Cl2 F24 O3 P2 Ru -","- C268 H172 B4 Cl8 F96 O12 P8 Ru4 -","4","1","","Tilmann J. Geldbach; Frank Breher; Volker Gramlich; P. G. Anil Kumar; Paul S. Pregosin","X-ray Diffraction and NMR Studies on a Series of Binap-Based Ru(II) Hydroxyphosphine π-Arene Complexes","Inorganic Chemistry","2004","43","","1920","1928","10.1021/ic0352147","","","0.71073","MoKα","","0.1221","0.1165","","","0.253","0.2559","","","","","","1.367","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310732","10.632","0.006","13.039","0.008","15.479","0.015","88.69","0.07","79.52","0.06","72.74","0.05","2014","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H34 Cl F3 O4 P2 Ru S -","- C45 H34 Cl F3 O4 P2 Ru S -","- C90 H68 Cl2 F6 O8 P4 Ru2 S2 -","2","1","","Tilmann J. Geldbach; Frank Breher; Volker Gramlich; P. G. Anil Kumar; Paul S. Pregosin","X-ray Diffraction and NMR Studies on a Series of Binap-Based Ru(II) Hydroxyphosphine π-Arene Complexes","Inorganic Chemistry","2004","43","","1920","1928","10.1021/ic0352147","","","0.71073","MoKα","","0.0492","0.0314","","0.059","0.0572","","","","0.776","0.949","0.949","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310733","11.548","0.011","23.8","0.021","21.784","0.029","90","","104.33","0.09","90","","5801","11","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 Cl2 F6 O8 P3 Ru S2 -","- C57 H49 Cl2 F6 O8 P3 Ru S2 -","- C228 H196 Cl8 F24 O32 P12 Ru4 S8 -","4","1","","Tilmann J. Geldbach; Frank Breher; Volker Gramlich; P. G. Anil Kumar; Paul S. Pregosin","X-ray Diffraction and NMR Studies on a Series of Binap-Based Ru(II) Hydroxyphosphine π-Arene Complexes","Inorganic Chemistry","2004","43","","1920","1928","10.1021/ic0352147","","","0.71073","MoKα","","0.11","0.0649","","0.174","0.1609","","","","0.859","1.182","1.182","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310734","14.422","0.003","14.972","0.003","14.869","0.003","90","","95.92","0.03","90","","3193.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 F3 O6.5 P2 Ru S -","- C33 H26 F3 O6.5 P2 Ru S -","- C132 H104 F12 O26 P8 Ru4 S4 -","4","1","","Tilmann J. Geldbach; Frank Breher; Volker Gramlich; P. G. Anil Kumar; Paul S. Pregosin","X-ray Diffraction and NMR Studies on a Series of Binap-Based Ru(II) Hydroxyphosphine π-Arene Complexes","Inorganic Chemistry","2004","43","","1920","1928","10.1021/ic0352147","","","1.54178","CuKα","","0.0978","0.0474","","0.129","0.1063","","","","1.021","1.072","1.072","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310735","14.154","0.004","16.131","0.005","16.602","0.005","108.787","0.006","92.473","0.006","102.81","0.006","3472.2","1.8","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C146 H114 B2 F48 O8 P4 Ru2 -","- C146 H114 B2 F48 O8 P4 Ru2 -","- C146 H114 B2 F48 O8 P4 Ru2 -","1","0.5","","Tilmann J. Geldbach; Frank Breher; Volker Gramlich; P. G. Anil Kumar; Paul S. Pregosin","X-ray Diffraction and NMR Studies on a Series of Binap-Based Ru(II) Hydroxyphosphine π-Arene Complexes","Inorganic Chemistry","2004","43","","1920","1928","10.1021/ic0352147","","","0.71073","MoKα","","0.0906","0.0494","","","0.121","0.1368","","","","","","0.956","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310736","5.7457","","5.8679","","7.6946","","90","","90","","90","","259.425","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Pd Se2 -","- Pd Se2 -","- Pd4 Se8 -","4","0.5","","C. Soulard; X. Rocquefelte; P.-E. Petit; M. Evain; S. Jobic; J.-P. Itié; P. Munsch; H.-J. Koo; M.-H. Whangbo","Experimental and Theoretical Investigation on the Relative Stability of the PdS2- and Pyrite-Type Structures of PdSe2","Inorganic Chemistry","2004","43","","1943","1949","10.1021/ic0352396","","","0.71069","MoKα","","0.0304","0.0176","","","0.0472","0.0527","","","","0.94","0.94","0.93","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4310737","8.9282","0.0004","10.6108","0.0007","14.3566","0.0007","102.897","0.005","97.614","0.004","107.907","0.004","1231.53","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H20 Ag F3 N2 O3 S Si2 -","- C19 H20 Ag F3 N2 O3 S Si2 -","- C38 H40 Ag2 F6 N4 O6 S2 Si4 -","2","1","","Parbati Sengupta; Hongming Zhang; David Y. Son","Spacer Flexibility in Bis(pyridyl) Ligands: Chelating Organosilicon Pyridylethynyl Ligands","Inorganic Chemistry","2004","43","","1828","1830","10.1021/ic0352405","","","0.71073","MoKα","","0.04","0.031","","","0.077","0.08","","","","","","1.03","","","","has coordinates","270822","2021-11-23","08:36:47",""
"4310738","9.117","0.001","10.123","0.001","14.956","0.001","103.419","0.006","97.56","0.004","109.066","0.007","1236.3","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H20 Ag F3 N2 O4 S Si2 -","- C19 H20 Ag F3 N2 O4 S Si2 -","- C38 H40 Ag2 F6 N4 O8 S2 Si4 -","2","1","","Parbati Sengupta; Hongming Zhang; David Y. Son","Spacer Flexibility in Bis(pyridyl) Ligands: Chelating Organosilicon Pyridylethynyl Ligands","Inorganic Chemistry","2004","43","","1828","1830","10.1021/ic0352405","","","0.71073","MoKα","","0.047","0.035","","","0.088","0.093","","","","","","1.02","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4310739","8.6007","0.0002","8.9211","0.0002","14.3956","0.0002","90","","93.0406","0.0009","90","","1102.99","0.04","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 Al N2 -","- C9 H17 Al N2 -","- C36 H68 Al4 N8 -","4","1","","Chia-Fu Tsai; Hsing-Jen Chen; Jr-Chiuan Chang; Cheng-Hsiang Hung; Chun-Chia Lai; Ching-Han Hu; Jui-Hsien Huang","Metal-Induced Coordination Inversion and Carbon-Nitrogen Bond Rearrangement. Structurally Characterized Phenyl Isocyanate Inserted into Aluminum Methyl Compounds and O- and N-Bound Aluminum Compounds","Inorganic Chemistry","2004","43","","2183","2188","10.1021/ic035261z","","","0.71073","MoKα","","0.0513","0.0399","","","0.113","0.1225","","","","","","1.084","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310740","8.3661","0.0012","21.722","0.003","9.7502","0.0014","90","","102.323","0.003","90","","1731.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Al N3 O -","- C16 H22 Al N3 O -","- C64 H88 Al4 N12 O4 -","4","1","","Chia-Fu Tsai; Hsing-Jen Chen; Jr-Chiuan Chang; Cheng-Hsiang Hung; Chun-Chia Lai; Ching-Han Hu; Jui-Hsien Huang","Metal-Induced Coordination Inversion and Carbon-Nitrogen Bond Rearrangement. Structurally Characterized Phenyl Isocyanate Inserted into Aluminum Methyl Compounds and O- and N-Bound Aluminum Compounds","Inorganic Chemistry","2004","43","","2183","2188","10.1021/ic035261z","","","0.71073","MoKα","","0.112","0.0726","","","0.2072","0.22","","","","","","0.982","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310741","10.8566","0.0019","10.3255","0.0018","12.663","0.002","90","","105.494","0.003","90","","1367.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O -","- C14 H16 N3 O -","- C56 H64 N12 O4 -","4","1","","Chia-Fu Tsai; Hsing-Jen Chen; Jr-Chiuan Chang; Cheng-Hsiang Hung; Chun-Chia Lai; Ching-Han Hu; Jui-Hsien Huang","Metal-Induced Coordination Inversion and Carbon-Nitrogen Bond Rearrangement. Structurally Characterized Phenyl Isocyanate Inserted into Aluminum Methyl Compounds and O- and N-Bound Aluminum Compounds","Inorganic Chemistry","2004","43","","2183","2188","10.1021/ic035261z","","","0.71073","MoKα","","0.0922","0.0512","","","0.146","0.1665","","","","","","0.853","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310742","13.274","0.002","10.54","0.0017","12.2178","0.0019","90","","101.194","0.004","90","","1676.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Al N3 O -","- C16 H22 Al N3 O -","- C64 H88 Al4 N12 O4 -","4","1","","Chia-Fu Tsai; Hsing-Jen Chen; Jr-Chiuan Chang; Cheng-Hsiang Hung; Chun-Chia Lai; Ching-Han Hu; Jui-Hsien Huang","Metal-Induced Coordination Inversion and Carbon-Nitrogen Bond Rearrangement. Structurally Characterized Phenyl Isocyanate Inserted into Aluminum Methyl Compounds and O- and N-Bound Aluminum Compounds","Inorganic Chemistry","2004","43","","2183","2188","10.1021/ic035261z","","","0.71073","MoKα","","0.1716","0.0811","","","0.1891","0.2292","","","","","","0.802","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310743","9.3229","0.001","13.55","0.0015","17.8097","0.0019","90","","91.595","0.002","90","","2248.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 Al2 N3 O -","- C19 H31 Al2 N3 O -","- C76 H124 Al8 N12 O4 -","4","1","","Chia-Fu Tsai; Hsing-Jen Chen; Jr-Chiuan Chang; Cheng-Hsiang Hung; Chun-Chia Lai; Ching-Han Hu; Jui-Hsien Huang","Metal-Induced Coordination Inversion and Carbon-Nitrogen Bond Rearrangement. Structurally Characterized Phenyl Isocyanate Inserted into Aluminum Methyl Compounds and O- and N-Bound Aluminum Compounds","Inorganic Chemistry","2004","43","","2183","2188","10.1021/ic035261z","","","0.71073","MoKα","","0.1081","0.0421","","","0.0842","0.0948","","","","","","0.725","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310744","10.5134","0.0019","10.87","0.002","15.348","0.003","90","","90","","90","","1754","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C72 H96 N16 O8 -","8","1","","Chia-Fu Tsai; Hsing-Jen Chen; Jr-Chiuan Chang; Cheng-Hsiang Hung; Chun-Chia Lai; Ching-Han Hu; Jui-Hsien Huang","Metal-Induced Coordination Inversion and Carbon-Nitrogen Bond Rearrangement. Structurally Characterized Phenyl Isocyanate Inserted into Aluminum Methyl Compounds and O- and N-Bound Aluminum Compounds","Inorganic Chemistry","2004","43","","2183","2188","10.1021/ic035261z","","","0.71073","MoKα","","0.1614","0.0816","","","0.1827","0.2299","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310745","15.0152","0.0008","22.2897","0.001","19.5322","0.001","90","","106.533","0.006","90","","6266.8","0.6","200","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C113 H111 Cr Eu F18 N25 O21 S6 -","- C113 H111 Cr Eu F18 N25 O21 S6 -","- C226 H222 Cr2 Eu2 F36 N50 O42 S12 -","2","1","","Martine Cantuel; Gérald Bernardinelli; Gilles Muller; James P. Riehl; Claude Piguet","The First Enantiomerically Pure Helical Noncovalent Tripod for Assembling Nine-Coordinate Lanthanide(III) Podates","Inorganic Chemistry","2004","43","","1840","1849","10.1021/ic035292u","","","0.71073","MoKα","","","0.047","","","","0.044","","","","","","1.93","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310746","9.8961","0.0013","38.098","0.005","21.789","0.003","90","","98.026","0.002","90","","8134.5","1.9","158","2","158","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C24 H66 Ge N2 O2 P2 Pd S2 Si4 -","- C24 H66 Ge N2 O2 P2 Pd S2 Si4 -","- C192 H528 Ge8 N16 O16 P16 Pd8 S16 Si32 -","8","2","","Zuzanna T. Cygan; Jeff W. Kampf; Mark M. Banaszak Holl","Insertion of SO2 into a Sulfide-Bridged M-Ge Bond: Synthesis, Characterization, and Reactivity of the O-Germyl-S-sulfoxylate","Inorganic Chemistry","2004","43","","2057","2063","10.1021/ic0353155","","","0.71073","MoKα","","0.0968","0.0547","","","0.1004","0.1129","","","","","","1.031","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310747","11.621","0.0014","13.5478","0.0016","20.595","0.003","76.298","0.002","78.385","0.002","64.863","0.002","2833.1","0.6","158","2","158","2","","","","","","","","9","P -1","-P 1","2","","","","- C30 H87 Ge2 N4 O2 P Pd S3 Si8 -","- C30 H87 Ge2 N4 O2 P Pd S3 Si8 -","- C60 H174 Ge4 N8 O4 P2 Pd2 S6 Si16 -","2","1","","Zuzanna T. Cygan; Jeff W. Kampf; Mark M. Banaszak Holl","Insertion of SO2 into a Sulfide-Bridged M-Ge Bond: Synthesis, Characterization, and Reactivity of the O-Germyl-S-sulfoxylate","Inorganic Chemistry","2004","43","","2057","2063","10.1021/ic0353155","","","0.71073","MoKα","","0.0258","0.0221","","","0.0546","0.0565","","","","","","1.054","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310748","8.041","0.002","18.474","0.005","15.849","0.004","90","","100.248","0.006","90","","2316.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl N4 Rh -","- C25 H30 Cl N4 Rh -","- C100 H120 Cl4 N16 Rh4 -","4","1","","Elena Mas-Marzá; Macarena Poyatos; Mercedes Sanaú; Eduardo Peris","Carbene Complexes of Rhodium and Iridium from Tripodal N-Heterocyclic Carbene Ligands: Synthesis and Catalytic Properties","Inorganic Chemistry","2004","43","","2213","2219","10.1021/ic035317p","","","0.71073","MoKα","","0.1422","0.0799","","","0.2238","0.2606","","","","","","1.042","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310749","33.544","0.007","10.027","0.002","28.873","0.006","90","","120.2","0.03","90","","8393","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H55 F12 N6 P2 Rh -","- C34 H55 F12 N6 P2 Rh -","- C272 H440 F96 N48 P16 Rh8 -","8","2","","Elena Mas-Marzá; Macarena Poyatos; Mercedes Sanaú; Eduardo Peris","Carbene Complexes of Rhodium and Iridium from Tripodal N-Heterocyclic Carbene Ligands: Synthesis and Catalytic Properties","Inorganic Chemistry","2004","43","","2213","2219","10.1021/ic035317p","","","0.71073","MoKα","","0.1946","0.0867","","","0.2248","0.323","","","","","","0.952","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310750","8.5328","0.0008","8.9443","0.0009","10.562","0.001","75.501","0.002","66.906","0.002","65.62","0.002","671.6","0.11","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H24 Ag N8 O3 P -","- C25 H24 Ag N8 O3 P -","- C25 H24 Ag N8 O3 P -","1","1","","E. Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Massimo Ricciutelli; Brian W. Skelton; Allan H. White","(Bis(1,2,4-triazol-1-yl)methane)silver(I) Phosphino Complexes: Structures and Spectroscopic Properties of Mixed-Ligand Coordination Polymers","Inorganic Chemistry","2004","43","","2157","2165","10.1021/ic0353413","","","0.71073","MoKα","","0.029","0.028","","0.035","","0.034","","","1.019","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310751","9.193","0.002","9.311","0.002","19.544","0.004","90.064","0.005","89.671","0.005","61.464","0.004","1469.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Ag As N9 O3 -","- C27 H27 Ag As N9 O3 -","- C54 H54 Ag2 As2 N18 O6 -","2","1","","E. Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Massimo Ricciutelli; Brian W. Skelton; Allan H. White","(Bis(1,2,4-triazol-1-yl)methane)silver(I) Phosphino Complexes: Structures and Spectroscopic Properties of Mixed-Ligand Coordination Polymers","Inorganic Chemistry","2004","43","","2157","2165","10.1021/ic0353413","","","0.71073","MoKα","","0.05","0.031","","0.04","","0.037","","","1.021","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310752","9.1565","0.0008","9.2491","0.0008","20.084","0.002","87.842","0.002","87.911","0.002","62.131","0.002","1502.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Ag N9 O3 Sb -","- C27 H27 Ag N9 O3 Sb -","- C54 H54 Ag2 N18 O6 Sb2 -","2","1","","E. Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Massimo Ricciutelli; Brian W. Skelton; Allan H. White","(Bis(1,2,4-triazol-1-yl)methane)silver(I) Phosphino Complexes: Structures and Spectroscopic Properties of Mixed-Ligand Coordination Polymers","Inorganic Chemistry","2004","43","","2157","2165","10.1021/ic0353413","","","0.71073","MoKα","","0.063","0.034","","0.039","","0.034","","","0.966","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310753","9.321","0.003","9.59","0.003","19.689","0.006","80.139","0.007","78.83","0.007","61.248","0.007","1507.5","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 Ag Cl N8 O4 P -","- C27 H27 Ag Cl N8 O4 P -","- C54 H54 Ag2 Cl2 N16 O8 P2 -","2","1","","E. Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Massimo Ricciutelli; Brian W. Skelton; Allan H. White","(Bis(1,2,4-triazol-1-yl)methane)silver(I) Phosphino Complexes: Structures and Spectroscopic Properties of Mixed-Ligand Coordination Polymers","Inorganic Chemistry","2004","43","","2157","2165","10.1021/ic0353413","","","0.71073","MoKα","","0.098","0.046","","0.047","","0.04","","","0.861","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310754","10.5051","0.0007","11.341","0.0008","17.539","0.001","76.802","0.002","77.954","0.002","62.598","0.001","1793.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 Ag2 N14 O6 P -","- C31 H33 Ag2 N14 O6 P -","- C62 H66 Ag4 N28 O12 P2 -","2","1","","E. Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Massimo Ricciutelli; Brian W. Skelton; Allan H. White","(Bis(1,2,4-triazol-1-yl)methane)silver(I) Phosphino Complexes: Structures and Spectroscopic Properties of Mixed-Ligand Coordination Polymers","Inorganic Chemistry","2004","43","","2157","2165","10.1021/ic0353413","","","0.71073","MoKα","","0.07","0.038","","0.047","","0.041","","","0.938","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310755","12.6782","0.0003","12.843","0.0003","9.4842","0.0002","90.371","0.001","109.832","0.001","113.223","0.002","1317.3","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H31 B7 N6 -","- C22 H31 B7 N6 -","- C44 H62 B14 N12 -","2","1","","Daniel E. Kadlecek; Daewon Hong; Patrick J. Carroll; Larry G. Sneddon","Reactions of arachno-6,8-C2B7H12- with Electron Deficient Olefins: Syntheses of Cyano-Substituted Carboranes","Inorganic Chemistry","2004","43","","1933","1942","10.1021/ic035357t","","","0.71069","MoKα","","0.0547","0.0485","","0.1188","0.1146","","","","1.111","1.138","1.138","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310756","11.7236","0.0011","13.6056","0.0008","7.039","0.0006","92.36","0.005","102.756","0.004","87.387","0.006","1093.36","0.15","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H16 B7 N -","- C5 H16 B7 N -","- C20 H64 B28 N4 -","4","2","","Daniel E. Kadlecek; Daewon Hong; Patrick J. Carroll; Larry G. Sneddon","Reactions of arachno-6,8-C2B7H12- with Electron Deficient Olefins: Syntheses of Cyano-Substituted Carboranes","Inorganic Chemistry","2004","43","","1933","1942","10.1021/ic035357t","","","0.71069","MoKα","","0.1075","0.0866","","0.2555","0.2338","","","","1.119","1.16","1.16","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310757","11.705","0.001","13.552","0.001","11.389","0.001","90","","90.31","0.01","90","","1806.6","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetylpyridine phenylthiosemicarbazonato)tricarbonylrhenium(I)","","- C17 H13 N4 O3 Re S -","- C17 H13 N4 O3 Re S -","- C68 H52 N16 O12 Re4 S4 -","4","1","","Isabel García Santos; Ulrich Abram; Roger Alberto; Ezequiel Vázquez López; Agustín Sánchez","Tricarbonylrhenium(I) Complexes with Thiosemicarbazone Derivatives of 2-Acetylpyridine and 2-Pyridine Formamide Showing Two Unusual Coordination Modes of Tridentate Thiosemicarbazone Ligands","Inorganic Chemistry","2004","43","","1834","1836","10.1021/ic035367u","","","1.54184","CuKα","","0.0285","0.0227","","","0.0543","0.0563","","","","","","1.045","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310758","18.067","","9.479","","20.29","","90","","111","","90","","3244.01","","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bromo(2-pyridine formamide thiosemicarbazone-N,N)tricarbonylrhenium(I)","","- C18 H33 Br N5 O7 Re S5 -","- C18 H33 Br N5 O7 Re S5 -","- C72 H132 Br4 N20 O28 Re4 S20 -","4","1","","Isabel García Santos; Ulrich Abram; Roger Alberto; Ezequiel Vázquez López; Agustín Sánchez","Tricarbonylrhenium(I) Complexes with Thiosemicarbazone Derivatives of 2-Acetylpyridine and 2-Pyridine Formamide Showing Two Unusual Coordination Modes of Tridentate Thiosemicarbazone Ligands","Inorganic Chemistry","2004","43","","1834","1836","10.1021/ic035367u","","","0.71073","MoKα","","0.175","0.0598","","","0.1154","0.1429","","","","","","1.038","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310759","7.218","0.005","8.088","0.006","13.936","0.009","77.57","0.05","77.81","0.05","82.06","0.05","772.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Re(CO)3Br(SB)]","[2-(1-n-butyliminomethyl)pyridine-N,N]bromotricarbonylrhenium(I)","","- C13 H14 Br N2 O3 Re -","- C13 H14 Br N2 O3 Re -","- C26 H28 Br2 N4 O6 Re2 -","2","1","","Isabel García Santos; Ulrich Abram; Roger Alberto; Ezequiel Vázquez López; Agustín Sánchez","Tricarbonylrhenium(I) Complexes with Thiosemicarbazone Derivatives of 2-Acetylpyridine and 2-Pyridine Formamide Showing Two Unusual Coordination Modes of Tridentate Thiosemicarbazone Ligands","Inorganic Chemistry","2004","43","","1834","1836","10.1021/ic035367u","","","0.71073","MoKa","","0.0347","0.0299","","0.0804","0.078","","","","1.115","1.132","1.132","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310760","14.7253","0.0009","16.8991","0.0011","16.55","0.0011","90","","95.384","0.002","90","","4100.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N P -","- C26 H24 N P -","- C208 H192 N8 P8 -","8","2","","Lan-Chang Liang; Mei-Hui Huang; Chen-Hsiung Hung","Aluminum Complexes Incorporating Bidentate Amido Phosphine Ligands","Inorganic Chemistry","2004","43","","2166","2174","10.1021/ic035373q","","","0.71073","MoKα","","0.1206","0.0433","","","0.0848","0.12","","","","","","0.724","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310761","9.355","0.002","9.997","0.002","34.033","0.007","90","","90","0.005","90","","3182.8","1.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 Al Cl2 N O2 P -","- C34 H39 Al Cl2 N O2 P -","- C136 H156 Al4 Cl8 N4 O8 P4 -","4","1","","Lan-Chang Liang; Mei-Hui Huang; Chen-Hsiung Hung","Aluminum Complexes Incorporating Bidentate Amido Phosphine Ligands","Inorganic Chemistry","2004","43","","2166","2174","10.1021/ic035373q","","","0.71073","MoKα","","0.1304","0.0651","","","0.1368","0.1682","","","","","","0.998","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310762","9.7187","0.0005","14.9887","0.001","18.5256","0.0011","90","","96.725","0.004","90","","2680.1","0.3","298","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Al N P -","- C30 H33 Al N P -","- C120 H132 Al4 N4 P4 -","4","1","","Lan-Chang Liang; Mei-Hui Huang; Chen-Hsiung Hung","Aluminum Complexes Incorporating Bidentate Amido Phosphine Ligands","Inorganic Chemistry","2004","43","","2166","2174","10.1021/ic035373q","","","0.71073","MoKα","","0.3227","0.1294","","","0.2825","0.395","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310763","8.69","0.0004","17.6389","0.0009","19.2049","0.0011","90.02","0.002","90.014","0.003","93.799","0.002","2937.3","0.3","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C32 H37 Al N P -","- C32 H37 Al N P -","- C128 H148 Al4 N4 P4 -","4","2","","Lan-Chang Liang; Mei-Hui Huang; Chen-Hsiung Hung","Aluminum Complexes Incorporating Bidentate Amido Phosphine Ligands","Inorganic Chemistry","2004","43","","2166","2174","10.1021/ic035373q","","","0.71073","MoKα","","0.2484","0.0873","","","0.1895","0.2729","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310764","13.0347","0.0002","15.1104","0.0002","20.1387","0.0001","90","","105.801","0.001","90","","3816.63","0.08","293","2","138","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(CoCp2)[MoO(3,6-DBCat)2] 1/2CH2Cl2 1/2CH3CN","","- C39.5 H52.5 Cl Co Mo N0.5 O5 -","- C39.5 H50 Cl Co Mo N0.5 O5 -","- C158 H200 Cl4 Co4 Mo4 N2 O20 -","4","1","","Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont","Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square","Inorganic Chemistry","2004","43","","2114","2124","10.1021/ic0354264","","","0.71073","MoKα","","0.0543","0.0417","","0.115","0.1063","","","","1.031","1.058","1.058","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310765","22.5679","0.0015","22.5679","0.0015","13.0099","0.0012","90","","90","","90","","6626.1","0.9","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","[MoO(3,6-DBCat)2]4","","- C14 H20 Mo0.5 O2.5 -","- C14 H20 Mo0.5 O2.5 -","- C224 H320 Mo8 O40 -","16","1","","Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont","Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square","Inorganic Chemistry","2004","43","","2114","2124","10.1021/ic0354264","","","0.71073","MoKα","","0.0902","0.0584","","0.2116","0.1878","","","","1.261","1.373","1.373","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310766","11.1595","0.0002","29.0306","0.0006","11.8944","0.0002","90","","116.703","0.001","90","","3442.42","0.11","144","2","144","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Mo(O-i-Pr)2(3,6-DBCat)2","","- C34 H54 Mo O6 -","- C34 H54 Mo O6 -","- C136 H216 Mo4 O24 -","4","0.5","","Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont","Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square","Inorganic Chemistry","2004","43","","2114","2124","10.1021/ic0354264","","","0.71073","MoKα","","0.035","0.0316","","0.0916","0.0869","","","","1.031","1.018","1.018","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310767","10.6946","0.0001","11.2383","0.0001","16.6845","0.0001","99.523","0.001","93.247","0.001","114.664","0.001","1779.48","0.03","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","MoO(dmso)(3,6-DBCat)2_DMSO","","- C32 H52 Mo O7 S2 -","- C32 H52 Mo O7 S2 -","- C64 H104 Mo2 O14 S4 -","2","1","","Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont","Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square","Inorganic Chemistry","2004","43","","2114","2124","10.1021/ic0354264","","","0.71073","MoKα","","0.0856","0.0513","","0.1288","0.109","","","","1","1.041","1.041","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310768","10.34","0.0001","10.6052","0.0003","17.1703","0.0003","82.243","0.001","76.346","0.001","60.842","0.001","1597.35","0.06","154","2","154","2","","","","","","","","5","P -1","-P 1","2","","MoO(OPy)(3,6-DBCat)2","","- C33 H45 Mo N O6 -","- C33 H45 Mo N O6 -","- C66 H90 Mo2 N2 O12 -","2","1","","Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont","Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square","Inorganic Chemistry","2004","43","","2114","2124","10.1021/ic0354264","","","0.71073","MoKα","","0.0716","0.0507","","","0.1193","0.1321","","","","","","1.03","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310769","16.6888","0.0005","17.5638","0.0005","19.6028","0.0006","90","","109.806","0.001","90","","5406","0.3","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MoO(OAsPh3)(3,6-DBCat)2 1.5 C8H10","","- C58 H70 As Mo O6 -","- C58 H70 As Mo O6 -","- C232 H280 As4 Mo4 O24 -","4","1","","Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont","Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square","Inorganic Chemistry","2004","43","","2114","2124","10.1021/ic0354264","","","0.71073","MoKα","","0.0805","0.0435","","","0.0958","0.1096","","","","","","1.025","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310770","10.507","0.004","13.73","0.004","9.188","0.003","106.51","0.03","108.32","0.03","80.84","0.03","1202.9","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 Fe2 N10 -","- C22 H20 Fe2 N10 -","- C44 H40 Fe4 N20 -","2","1","","Brian O. Patrick; William M. Reiff; Victor Sánchez; Alan Storr; Robert C. Thompson","Poly[(2,2'-bipyridine)tetrakis(imidazolato)diiron(II)]: Structural and Spin-State Phase Transitions and Low-Temperature Magnetic Ordering in a Unique 2-Dimensional Material","Inorganic Chemistry","2004","43","","2330","2339","10.1021/ic030170n","","","0.71069","MoKα","","0.1363","0.0374","","","0.0775","0.0931","","","","","","0.975","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310771","10.4138","0.0005","13.5075","0.0005","26.0605","0.001","104.53","0.002","93.892","0.002","100.512","0.002","3464","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H60 Fe6 N30 -","- C41 H34 -","- C82 H68 -","2","1","","Brian O. Patrick; William M. Reiff; Victor Sánchez; Alan Storr; Robert C. Thompson","Poly[(2,2'-bipyridine)tetrakis(imidazolato)diiron(II)]: Structural and Spin-State Phase Transitions and Low-Temperature Magnetic Ordering in a Unique 2-Dimensional Material","Inorganic Chemistry","2004","43","","2330","2339","10.1021/ic030170n","","","0.71069","MoKα","","0.0591","0.0391","","","0.099","0.1099","","","","","","1.037","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310772","8.787","0.002","15.1","0.003","15.158","0.003","60.24","0.01","83.07","0.02","80.52","0.02","1720.3","0.7","295","","295","","","","","","","","?","6","P -1","-P 1","2","","","","- C39 H30 Fe N6 O3 P -","- C39 H30 Fe N6 O3 P -","- C78 H60 Fe2 N12 O6 P2 -","2","1","","Rodrigue Lescouëzec; Jacqueline Vaissermann; Luminita Marilena Toma; Rosa Carrasco; Francesc Lloret; Miguel Julve","mer-[FeIII(bpca)(CN)3]-: A New Low-Spin Iron(III) Complex to Build Heterometallic Ladder-like Chains","Inorganic Chemistry","2004","43","","2234","2236","10.1021/ic030284z","","","0.71073","MoKα","","0.0815","0.0381","","0.0488","0.0456","0.0456","","","","","","1.1126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310773","10.417","0.003","12.614","0.003","14.898","0.005","110.33","0.02","96.46","0.03","94.54","0.02","1809.3","1","295","","295","","","","","","","","?","6","P -1","-P 1","2","","","","- C30 H27 Fe2 Mn N12 O9.5 -","- C30 H16 Fe2 Mn N12 O9.5 -","- C60 H32 Fe4 Mn2 N24 O19 -","2","1","","Rodrigue Lescouëzec; Jacqueline Vaissermann; Luminita Marilena Toma; Rosa Carrasco; Francesc Lloret; Miguel Julve","mer-[FeIII(bpca)(CN)3]-: A New Low-Spin Iron(III) Complex to Build Heterometallic Ladder-like Chains","Inorganic Chemistry","2004","43","","2234","2236","10.1021/ic030284z","","","0.71073","MoKα","","0.0512","0.0405","","0.0471","0.0466","0.0466","","","","","","1.0272","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310774","9.5163","0.0004","9.6966","0.0004","22.3302","0.0008","90","","98.5","0.01","90","","2037.9","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Fe N6 S3 -","- C17 H21 Fe N6 S3 -","- C68 H84 Fe4 N24 S12 -","4","1","","Sebastien Blanchard; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","N,N-Coordinated π Radical Anions of S-Methyl-1-phenyl-isothiosemicarbazide in Two Five-Coordinate Ferric Complexes [FeIII(LMe.)2X] (X = CH3S-, Cl-)","Inorganic Chemistry","2004","43","","2324","2329","10.1021/ic030285r","","","0.71073","MoKα","","0.0277","0.025","","","0.0616","0.0629","","","","","","1.047","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310775","8.9628","0.0006","9.8292","0.0006","12.0455","0.0006","108.72","0.01","100.12","0.01","98.56","0.01","965.13","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl Fe N6 S2 -","- C16 H18 Cl Fe N6 S2 -","- C32 H36 Cl2 Fe2 N12 S4 -","2","1","","Sebastien Blanchard; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","N,N-Coordinated π Radical Anions of S-Methyl-1-phenyl-isothiosemicarbazide in Two Five-Coordinate Ferric Complexes [FeIII(LMe.)2X] (X = CH3S-, Cl-)","Inorganic Chemistry","2004","43","","2324","2329","10.1021/ic030285r","","","0.71073","MoKα","","0.0568","0.0462","","","0.105","0.1106","","","","","","1.061","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310776","16.5672","0.0013","9.0227","0.0007","18.0083","0.0014","90","","95.343","0.001","90","","2680.2","0.4","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl2 N7 O8 S3 Zn -","- C18 H21 Cl2 N7 O8 S3 Zn -","- C72 H84 Cl8 N28 O32 S12 Zn4 -","4","1","","Hongshan He; Douglas P. Linder; Kenton R. Rodgers; Indrani Chakraborty; Atta M. Arif","A Thiazole-containing Tripodal Ligand: Synthesis, Characterization, and Interactions with Metal Ions and Matrix Metalloproteinases","Inorganic Chemistry","2004","43","","2392","2401","10.1021/ic034811q","","","0.71073","MoKα","","0.0552","0.0355","","","0.0968","0.1015","","","","","","0.935","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4310777","16.6871","0.0014","9.0292","0.0008","17.9807","0.0015","90","","95.135","0.002","90","","2698.3","0.4","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl2 Mn N7 O8 S3 -","- C18 H21 Cl2 Mn N7 O8 S3 -","- C72 H84 Cl8 Mn4 N28 O32 S12 -","4","1","","Hongshan He; Douglas P. Linder; Kenton R. Rodgers; Indrani Chakraborty; Atta M. Arif","A Thiazole-containing Tripodal Ligand: Synthesis, Characterization, and Interactions with Metal Ions and Matrix Metalloproteinases","Inorganic Chemistry","2004","43","","2392","2401","10.1021/ic034811q","","","0.71073","MoKα","","0.0805","0.0555","","","0.1569","0.1726","","","","","","1.046","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310778","9.4379","0.0002","10.0327","0.0003","15.5197","0.0004","87.8463","0.0013","82.386","0.0015","70.7546","0.0014","1375.14","0.06","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H23 Ca Cl2 N7 O9 S3 -","- C18 H23 Ca Cl2 N7 O9 S3 -","- C36 H46 Ca2 Cl4 N14 O18 S6 -","2","1","","Hongshan He; Douglas P. Linder; Kenton R. Rodgers; Indrani Chakraborty; Atta M. Arif","A Thiazole-containing Tripodal Ligand: Synthesis, Characterization, and Interactions with Metal Ions and Matrix Metalloproteinases","Inorganic Chemistry","2004","43","","2392","2401","10.1021/ic034811q","","","0.71073","MoKα","","0.0451","0.0359","","","0.0872","0.0933","","","","","","1.03","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310779","16.5444","0.0004","8.909","0.0001","17.8894","0.0005","90","","95.3245","0.0011","90","","2625.41","0.1","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl2 Mg N7 O8 S3 -","- C18 H21 Cl2 Mg N7 O8 S3 -","- C72 H84 Cl8 Mg4 N28 O32 S12 -","4","1","","Hongshan He; Douglas P. Linder; Kenton R. Rodgers; Indrani Chakraborty; Atta M. Arif","A Thiazole-containing Tripodal Ligand: Synthesis, Characterization, and Interactions with Metal Ions and Matrix Metalloproteinases","Inorganic Chemistry","2004","43","","2392","2401","10.1021/ic034811q","","","0.71073","MoKα","","0.0484","0.0349","","","0.0813","0.0889","","","","","","1.041","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310780","10.966","0.003","17.534","0.004","13.578","0.002","90","","100.23","0.03","90","","2569.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 La2 N3 O15 -","- C21 H9 La2 N3 O15 -","- C84 H36 La8 N12 O60 -","4","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Self-Assembly of Lanthanide Helicate Coordination Polymers into 3D Metal-Organic Framework Structures","Inorganic Chemistry","2004","43","","2293","2298","10.1021/ic034982v","","","0.71073","MoKα","","0.0687","0.0522","","","0.1431","0.1544","","","","","","1.062","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310781","10.944","0.003","17.448","0.005","13.397","0.002","90","","101.19","0.03","90","","2509.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 Nd2 O15 -","- C21 H9 N3 Nd2 O15 -","- C84 H36 N12 Nd8 O60 -","4","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Self-Assembly of Lanthanide Helicate Coordination Polymers into 3D Metal-Organic Framework Structures","Inorganic Chemistry","2004","43","","2293","2298","10.1021/ic034982v","","","0.71073","MoKα","","0.1125","0.0846","","","0.2676","0.2972","","","","","","1.323","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310782","12.701","0.003","9.979","0.001","19.401","0.004","90","","97.73","0.02","90","","2436.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Ce2 N3 O15 -","- C21 H9 Ce2 N3 O15 -","- C84 H36 Ce8 N12 O60 -","4","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Self-Assembly of Lanthanide Helicate Coordination Polymers into 3D Metal-Organic Framework Structures","Inorganic Chemistry","2004","43","","2293","2298","10.1021/ic034982v","","","0.71073","MoKα","","0.0523","0.0389","","","0.117","0.1265","","","","","","1.299","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310783","10.961","0.005","17.523","0.005","13.505","0.002","90","","100.89","0.03","90","","2547.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Ce2 N3 O15 -","- C21 H9 Ce2 N3 O15 -","- C84 H36 Ce8 N12 O60 -","4","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Self-Assembly of Lanthanide Helicate Coordination Polymers into 3D Metal-Organic Framework Structures","Inorganic Chemistry","2004","43","","2293","2298","10.1021/ic034982v","","","0.71069","MoKα","","0.0872","0.04","","","0.1025","0.1176","","","","","","1.083","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310784","13.022","0.0009","18.463","0.001","13.8049","0.0009","90","","101.116","0.001","90","","3256.8","0.4","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 F12 N6 P2 Ru -","- C28 H26 F12 N6 P2 Ru -","- C112 H104 F48 N24 P8 Ru4 -","4","1","","Takahiko Kojima; Taisuke Sakamoto; Yoshihisa Matsuda","Toward a Photochemical and Thermal Molecular Machine: Reversible Ligand Dissociation and Binding in a Ruthenium(II)-2,2'-bipyridine Complex with Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2004","43","","2243","2245","10.1021/ic035137f","","","0.7107","MoKα","","","0.0504","","","","0.1276","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310785","20.006","0.0003","20.28","0.0002","20.6284","0.0001","77.836","0.001","66.136","0.001","66.268","0.001","6995.18","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H158 Cl Fe8 N16 O43 -","- C104 H48 Cl Fe8 N16 O43 -","- C208 H96 Cl2 Fe16 N32 O86 -","2","1","","Shen Lin; Shi-Xiong Liu; Zhong Chen; Bi-Zhou Lin; Song Gao","Synthesis, Structure, and Magnetism of a Ferric 24-Azametallacrown-8 Complex","Inorganic Chemistry","2004","43","","2222","2224","10.1021/ic035145w","","","0.71073","MoKα","","0.2764","0.0923","","","0.1963","0.2905","","","","","","0.944","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310786","8.1929","0.0016","8.1929","0.0016","6.6882","0.0018","90","","90","","90","","448.94","0.17","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- In K Se4 Sn -","- In1.7 K2 Se8 Sn2.28 -","- In1.7 K2 Se8 Sn2.28 -","1","0.03125","","Seong-Ju Hwang; Ratnasabapathy G. Iyer; Pantelis N. Trikalitis; Andrew G. Ogden; Mercouri G. Kanatzidis","Cooling of Melts: Kinetic Stabilization and Polymorphic Transitions in the KInSnSe4 System","Inorganic Chemistry","2004","43","","2237","2239","10.1021/ic0351545","","","0.71073","MoKα","","0.0216","0.0173","","","0.0421","0.0439","","","","","","1.201","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310787","7.773","0.003","12.457","0.004","18.658","0.007","90","","98.149","0.006","90","","1788.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- In K Se4 Sn -","- In0.470588 K0.470588 Se1.88235 Sn0.470588 -","- In8 K8 Se32 Sn8 -","17","4.25","","Seong-Ju Hwang; Ratnasabapathy G. Iyer; Pantelis N. Trikalitis; Andrew G. Ogden; Mercouri G. Kanatzidis","Cooling of Melts: Kinetic Stabilization and Polymorphic Transitions in the KInSnSe4 System","Inorganic Chemistry","2004","43","","2237","2239","10.1021/ic0351545","","","0.71073","MoKα","","0.0731","0.047","","","0.1246","0.1399","","","","","","1.026","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310788","13.7849","0.0011","13.7849","0.0011","13.7849","0.0011","90","","90","","90","","2619.5","0.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- In K Se4 Sn -","- In K Se4 Sn -","- In12 K12 Se48 Sn12 -","12","0.5","","Seong-Ju Hwang; Ratnasabapathy G. Iyer; Pantelis N. Trikalitis; Andrew G. Ogden; Mercouri G. Kanatzidis","Cooling of Melts: Kinetic Stabilization and Polymorphic Transitions in the KInSnSe4 System","Inorganic Chemistry","2004","43","","2237","2239","10.1021/ic0351545","","","0.71073","MoKα","","0.0724","0.0641","","","0.1056","0.108","","","","","","1.296","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310789","9.762","0.004","10.169","0.004","11.143","0.004","80.96","0.03","64.49","0.03","71.88","0.03","948.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Co N6 O4 -","- C22 H12 Co N6 O4 -","- C44 H24 Co2 N12 O8 -","2","1","","Xi-Xue Hu; Ji-Qing Xu; Peng Cheng; Xiao-Yan Chen; Xiao-Bing Cui; Jiang-Feng Song; Guang-Di Yang; Tie-Gang Wang","A New Route for Preparing Coordination Polymers from Hydrothermal Reactions Involving in Situ Ligand Synthesis","Inorganic Chemistry","2004","43","","2261","2266","10.1021/ic0351646","","","0.71073","MoKα","","0.0491","0.0402","","","0.104","0.1072","","","","","","1.056","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310790","6.8687","0.0005","7.5943","0.0006","10.0401","0.0006","90","","95.25","0.004","90","","521.52","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Co N4 O6 -","- C10 H4 Co N4 O6 -","- C20 H8 Co2 N8 O12 -","2","0.5","","Xi-Xue Hu; Ji-Qing Xu; Peng Cheng; Xiao-Yan Chen; Xiao-Bing Cui; Jiang-Feng Song; Guang-Di Yang; Tie-Gang Wang","A New Route for Preparing Coordination Polymers from Hydrothermal Reactions Involving in Situ Ligand Synthesis","Inorganic Chemistry","2004","43","","2261","2266","10.1021/ic0351646","","","0.71073","MoKα","","0.0316","0.0277","","","0.0799","0.0819","","","","","","1.13","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310791","9.9464","0.0013","23.685","0.005","7.9491","0.0016","90","","117.677","0.013","90","","1658.4","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H12 Co N4 O4 -","- C19 H12 Co N4 O4 -","- C76 H48 Co4 N16 O16 -","4","1","","Xi-Xue Hu; Ji-Qing Xu; Peng Cheng; Xiao-Yan Chen; Xiao-Bing Cui; Jiang-Feng Song; Guang-Di Yang; Tie-Gang Wang","A New Route for Preparing Coordination Polymers from Hydrothermal Reactions Involving in Situ Ligand Synthesis","Inorganic Chemistry","2004","43","","2261","2266","10.1021/ic0351646","","","0.71073","MoKα","","0.0297","0.0282","","","0.0704","0.0711","","","","","","1.013","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310792","20.2707","0.0005","20.2707","0.0005","20.2707","0.0005","90","","90","","90","","8329.3","0.4","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","Fetren(4Im)3, Fe(2)","","","- C18 H27 Fe N10 O3 -","- C18 H21 Fe N10 O3 -","- C288 H336 Fe16 N160 O48 -","16","0.333333","","Cynthia Brewer; Greg Brewer; Charles Luckett; Gwen S. Marbury; Carol Viragh; Alicia M. Beatty; W. Robert Scheidt","Proton Control of Oxidation and Spin State in a Series of Iron Tripodal Imidazole Complexes","Inorganic Chemistry","2004","43","","2402","2415","10.1021/ic0351747","","","0.71073","MoKα","","0.0363","0.0341","","","0.0959","0.0994","","","","","","1.074","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310793","20.9986","0.001","11.7098","0.0005","19.9405","0.0009","90","","109.141","0.001","90","","4632.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fetren(2Im)3, Fe(3)","","","- C18 H30 Fe N10 O4.5 -","- C18 H30 Fe N10 O4.5 -","- C144 H240 Fe8 N80 O36 -","8","2","","Cynthia Brewer; Greg Brewer; Charles Luckett; Gwen S. Marbury; Carol Viragh; Alicia M. Beatty; W. Robert Scheidt","Proton Control of Oxidation and Spin State in a Series of Iron Tripodal Imidazole Complexes","Inorganic Chemistry","2004","43","","2402","2415","10.1021/ic0351747","","","0.71073","MoKα","","0.0344","0.0307","","","0.0831","0.086","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310794","9.4848","0.0004","23.2354","0.0009","12.2048","0.0005","90","","111.147","0.001","90","","2508.6","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fetren(2ImH)3](ClO4)2 [FeH3(3)](ClO4)2","","","- C18 H26 Cl2 Fe N10 O9 -","- C18 H26 Cl2 Fe N10 O9 -","- C72 H104 Cl8 Fe4 N40 O36 -","4","1","","Cynthia Brewer; Greg Brewer; Charles Luckett; Gwen S. Marbury; Carol Viragh; Alicia M. Beatty; W. Robert Scheidt","Proton Control of Oxidation and Spin State in a Series of Iron Tripodal Imidazole Complexes","Inorganic Chemistry","2004","43","","2402","2415","10.1021/ic0351747","","","0.71073","MoKα","","0.0603","0.0437","","","0.1118","0.1212","","","","","","1.029","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310795","17.589","0.004","9.487","0.002","24.734","0.011","90","","110.03","0.03","90","","3878","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H45 Er N4 O24 P4 -","- C24 H45 Er N4 O24 P4 -","- C96 H180 Er4 N16 O96 P16 -","4","0.5","","Xin-min Gan; Iris Binyamin; Brian M. Rapko; Jesse Fox; Eileen N. Duesler; Robert T. Paine","Hydrogen Bonded Framework Structures Constructed from 2-(Pyridyl N-oxide) Methylphosphonic Acid Ligands and Erbium(III)","Inorganic Chemistry","2004","43","","2443","2448","10.1021/ic0351850","","","0.71073","MoKα","","0.0252","0.0237","","0.0601","0.0597","","","","1.182","1.206","1.206","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310796","17.667","0.003","9.485","0.002","25.051","0.005","90","","106.25","0.03","90","","4030.1","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H45 Er N4 O28 P4 -","- C24 H45 Er N4 O28 P4 -","- C96 H180 Er4 N16 O112 P16 -","4","0.5","","Xin-min Gan; Iris Binyamin; Brian M. Rapko; Jesse Fox; Eileen N. Duesler; Robert T. Paine","Hydrogen Bonded Framework Structures Constructed from 2-(Pyridyl N-oxide) Methylphosphonic Acid Ligands and Erbium(III)","Inorganic Chemistry","2004","43","","2443","2448","10.1021/ic0351850","","","0.71073","MoKα","","0.0301","0.0249","","0.0598","0.0592","","","","1.035","1.108","1.108","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310797","4.8848","0.0003","8.0205","0.0007","19.5581","0.0013","90","","90","","90","","766.26","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 N O5 P -","- C6 H8 N O5 P -","- C24 H32 N4 O20 P4 -","4","1","","Xin-min Gan; Iris Binyamin; Brian M. Rapko; Jesse Fox; Eileen N. Duesler; Robert T. Paine","Hydrogen Bonded Framework Structures Constructed from 2-(Pyridyl N-oxide) Methylphosphonic Acid Ligands and Erbium(III)","Inorganic Chemistry","2004","43","","2443","2448","10.1021/ic0351850","","","0.71073","MoKα","","0.0237","0.0224","","0.0671","0.0661","","","","1.054","1.065","1.065","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310798","4.5478","0.0004","8.214","0.001","20.204","0.001","90","","92.06","0.01","90","","754.25","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N O4 P -","- C6 H8 N O4 P -","- C24 H32 N4 O16 P4 -","4","1","","Xin-min Gan; Iris Binyamin; Brian M. Rapko; Jesse Fox; Eileen N. Duesler; Robert T. Paine","Hydrogen Bonded Framework Structures Constructed from 2-(Pyridyl N-oxide) Methylphosphonic Acid Ligands and Erbium(III)","Inorganic Chemistry","2004","43","","2443","2448","10.1021/ic0351850","","","0.71073","MoKα","","0.0395","0.033","","","0.0738","0.0793","","","","","","1.104","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310799","16.1","0.012","13.541","0.007","13.929","0.009","90","","106.05","0.05","90","","2918","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N10 Ni2 O6 -","- C23.996 H37.989 N10 Ni2 O6 -","- C95.984 H151.956 N40 Ni8 O24 -","4","1","","Subrata Kumar Dey; Nijhuma Mondal; M. Salah El Fallah; Ramon Vicente; Albert Escuer; Xavier Solans; M. Font-Bardía; T. Matsushita; V. Gramlich; Samiran Mitra","Crystal Structure and Magnetic Interactions in Nickel(II) Dibridged Complexes Formed by Two Azide Groups or by Both Phenolate Oxygen-Azide, -Thiocyanate, -Carboxylate, or -Cyanate Groups","Inorganic Chemistry","2004","43","","2427","2434","10.1021/ic0352553","","","0.71073","MoKα","","0.0387","0.0274","","0.0633","0.0616","","","","0.89","1.034","1.034","","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310800","13.879","0.001","13.77","0.001","16.34","0.001","90","","102.95","","90","","3043.4","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H72 N11 Ni4 O12 S3 -","- C53 H72 N11 Ni4 O12 S3 -","- C106 H144 N22 Ni8 O24 S6 -","2","1","","Subrata Kumar Dey; Nijhuma Mondal; M. Salah El Fallah; Ramon Vicente; Albert Escuer; Xavier Solans; M. Font-Bardía; T. Matsushita; V. Gramlich; Samiran Mitra","Crystal Structure and Magnetic Interactions in Nickel(II) Dibridged Complexes Formed by Two Azide Groups or by Both Phenolate Oxygen-Azide, -Thiocyanate, -Carboxylate, or -Cyanate Groups","Inorganic Chemistry","2004","43","","2427","2434","10.1021/ic0352553","","","0.71069","MoKα","","0.0539","0.0296","","","0.0711","0.0764","","","","","","1.053","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310801","16.142","0.001","13.698","0.001","14.02","0.001","90","","104.74","0.01","90","","2998","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N6 Ni2 O8 -","- C26 H34 N6 Ni2 O8 -","- C104 H136 N24 Ni8 O32 -","4","1","","Subrata Kumar Dey; Nijhuma Mondal; M. Salah El Fallah; Ramon Vicente; Albert Escuer; Xavier Solans; M. Font-Bardía; T. Matsushita; V. Gramlich; Samiran Mitra","Crystal Structure and Magnetic Interactions in Nickel(II) Dibridged Complexes Formed by Two Azide Groups or by Both Phenolate Oxygen-Azide, -Thiocyanate, -Carboxylate, or -Cyanate Groups","Inorganic Chemistry","2004","43","","2427","2434","10.1021/ic0352553","","","0.71069","MoKα","","0.0679","0.0365","","","0.1016","0.1092","","","","","","1.061","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310802","10.111","0.003","10.497","0.007","16.695","0.018","73.73","0.07","84.58","0.04","67.73","0.03","1574","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H38 N18 Ni2 O2 -","- C22 H38 N18 Ni2 O2 -","- C44 H76 N36 Ni4 O4 -","2","1","","Subrata Kumar Dey; Nijhuma Mondal; M. Salah El Fallah; Ramon Vicente; Albert Escuer; Xavier Solans; M. Font-Bardía; T. Matsushita; V. Gramlich; Samiran Mitra","Crystal Structure and Magnetic Interactions in Nickel(II) Dibridged Complexes Formed by Two Azide Groups or by Both Phenolate Oxygen-Azide, -Thiocyanate, -Carboxylate, or -Cyanate Groups","Inorganic Chemistry","2004","43","","2427","2434","10.1021/ic0352553","","","0.71069","MoKα","","0.1308","0.037","","","0.0756","0.101","","","","","","0.781","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310803","16.0157","0.0004","14.5507","0.0004","18.0452","0.0004","90","","109.219","0.001","90","","3970.88","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ag6 Mo10 O50 P V2 -","- Ag6 Mo9.96 O50 P V2.04 -","- Ag24 Mo39.84 O200 P4 V8.16 -","4","0.5","","Feng-Xian Liu; Catherine Marchal-Roch; Philippe Bouchard; Jérôme Marrot; Jean-Pierre Simonato; Gilbert Hervé; Francis Sécheresse","[Ag6(PMo10V2O40)](CH3COO).8H2O: A 3D Macrocationic Polyoxometallic Keggin Complex","Inorganic Chemistry","2004","43","","2240","2242","10.1021/ic035313k","","","0.71073","MoKα","","0.1142","0.0673","","","0.1773","0.2115","","","","","","1.043","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310804","8.4511","0.0004","10.6848","0.0004","8.7458","0.0005","90","","118.143","0.002","90","","696.36","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H6 Cl4 O2 P2 -","- C10 H6 Cl4 O2 P2 -","- C20 H12 Cl8 O4 P4 -","2","1","","Petr Kilian; Heather L. Milton; Alexandra M. Z. Slawin; J. Derek Woollins","Chlorides, Oxochlorides, and Oxoacids of 1,8-Diphosphanaphthalene: A System with Imposed Close P...P Interaction","Inorganic Chemistry","2004","43","","2252","2260","10.1021/ic035364h","","","0.71073","MoKα","","0.0519","0.0449","","","0.1103","0.1146","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310805","9.4655","0.0013","16.035","0.002","8.8593","0.0013","90","","95.151","0.002","90","","1339.2","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl4 O P2 -","- C10 H6 Cl4 O P2 -","- C40 H24 Cl16 O4 P8 -","4","1","","Petr Kilian; Heather L. Milton; Alexandra M. Z. Slawin; J. Derek Woollins","Chlorides, Oxochlorides, and Oxoacids of 1,8-Diphosphanaphthalene: A System with Imposed Close P...P Interaction","Inorganic Chemistry","2004","43","","2252","2260","10.1021/ic035364h","","","0.71073","MoKα","","0.064","0.0429","","","0.0971","0.1045","","","","","","0.968","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310806","7.157","0.005","12.363","0.009","14.69","0.01","109.05","0.011","90.524","0.012","90.62","0.013","1228.4","1.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cs2 O6 P4 -","- C13 H7 Cs2 O4 P3 -","- C26 H14 Cs4 O8 P6 -","2","1","","Petr Kilian; Heather L. Milton; Alexandra M. Z. Slawin; J. Derek Woollins","Chlorides, Oxochlorides, and Oxoacids of 1,8-Diphosphanaphthalene: A System with Imposed Close P...P Interaction","Inorganic Chemistry","2004","43","","2252","2260","10.1021/ic035364h","","","0.71073","MoKα","","0.0652","0.0481","","","0.1094","0.1163","","","","","","0.972","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310807","13.683","0.0001","14.168","0.0001","17.475","0.0002","79.205","0.0004","77.538","0.0004","63.532","0.0006","2945.04","0.05","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H50 F12 N10 Os P2 -","- C64.25 H38 F12 N10 Os P2 -","- C128.5 H76 F24 N20 Os2 P4 -","2","1","","Sheba D. Bergman; Israel Goldberg; Andrea Barbieri; Francesco Barigelletti; Moshe Kol","Mononuclear and Dinuclear Complexes of Dibenzoeilatin: Synthesis, Structure, and Electrochemical and Photophysical Properties","Inorganic Chemistry","2004","43","","2355","2367","10.1021/ic0354062","","","0.71073","MoKα","","0.0508","0.041","","","0.0989","0.1046","","","","","","0.962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310808","11.124","0.0004","16.095","0.0007","16.386","0.0006","61.738","0.002","87.256","0.0019","83.959","0.0014","2569.68","0.18","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H62 N6 O12 Ru -","- C44 H50 N6 O12 Ru -","- C88 H100 N12 O24 Ru2 -","2","1","","Sheba D. Bergman; Israel Goldberg; Andrea Barbieri; Francesco Barigelletti; Moshe Kol","Mononuclear and Dinuclear Complexes of Dibenzoeilatin: Synthesis, Structure, and Electrochemical and Photophysical Properties","Inorganic Chemistry","2004","43","","2355","2367","10.1021/ic0354062","","","0.71073","MoKα","","0.0893","0.068","","","0.1706","0.1858","","","","","","1.089","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310809","9.632","0.0002","12.762","0.0002","16.047","0.0003","102.024","0.0007","97.412","0.0007","95.678","0.0014","1896.99","0.06","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H76 Cl4 N12 O14 Os2 -","- C72 H48 Cl4 N12 O14 Os2 -","- C72 H48 Cl4 N12 O14 Os2 -","1","0.5","","Sheba D. Bergman; Israel Goldberg; Andrea Barbieri; Francesco Barigelletti; Moshe Kol","Mononuclear and Dinuclear Complexes of Dibenzoeilatin: Synthesis, Structure, and Electrochemical and Photophysical Properties","Inorganic Chemistry","2004","43","","2355","2367","10.1021/ic0354062","","","0.71073","MoKα","","0.0434","0.0356","","","0.0838","0.0877","","","","","","1.052","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310810","8.91","0.002","10.128","0.002","10.282","0.002","89.47","0.03","82.93","0.03","89.03","0.03","920.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Cl N5 O2 P -","- C16 H23 Cl N5 O2 P -","- C32 H46 Cl2 N10 O4 P2 -","2","1","","Pavel Rovnaník; Libor Kapička; Jan Taraba; Miloš Černík","Base-Induced Dismutation of POCl3 and POBr3: Synthesis and Structure of Ligand-Stabilized Dioxophosphonium Cations","Inorganic Chemistry","2004","43","","2435","2442","10.1021/ic0354163","","","0.71069","MoKα","","0.0374","0.0302","","","0.0782","0.0816","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310811","13.406","0.003","12.932","0.003","11.024","0.002","90","","93.77","0.03","90","","1907.1","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Br3 N4 O2 P -","- C14 H20 Br3 N4 O2 P -","- C56 H80 Br12 N16 O8 P4 -","4","1","","Pavel Rovnaník; Libor Kapička; Jan Taraba; Miloš Černík","Base-Induced Dismutation of POCl3 and POBr3: Synthesis and Structure of Ligand-Stabilized Dioxophosphonium Cations","Inorganic Chemistry","2004","43","","2435","2442","10.1021/ic0354163","","","0.71069","MoKα","","0.083","0.0525","","","0.1157","0.1277","","","","","","1.085","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310812","12.55","0.003","8.81","0.002","15.357","0.003","90","","93.95","0.03","90","","1693.9","0.7","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 F3 N3 O5 P S -","- C13 H13 F3 N3 O5 P S -","- C52 H52 F12 N12 O20 P4 S4 -","4","1","","Pavel Rovnaník; Libor Kapička; Jan Taraba; Miloš Černík","Base-Induced Dismutation of POCl3 and POBr3: Synthesis and Structure of Ligand-Stabilized Dioxophosphonium Cations","Inorganic Chemistry","2004","43","","2435","2442","10.1021/ic0354163","","","0.71069","MoKα","","0.063","0.0395","","","0.0916","0.0994","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310813","16.849","0.005","15.46","0.007","20.479","0.003","90","","110.96","0.03","90","","4982","3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4(CCPh)1.86Cl0.14","","","- C54.88 H41.3 Cl0.14 Cr3 N12 -","- C54.88 H41.3 Cl0.14 Cr3 N12 -","- C219.52 H165.2 Cl0.56 Cr12 N48 -","4","1","","John F. Berry; F. Albert Cotton; Carlos A. Murillo; Brian K. Roberts","An Efficient Synthesis of Acetylide/Trimetal/Acetylide Molecular Wires","Inorganic Chemistry","2004","43","","2277","2283","10.1021/ic0354320","","","0.71073","MoKα","","0.0972","0.0685","","","0.1627","0.1877","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310814","15.409","0.003","16.297","0.003","16.34","0.003","73.289","0.004","65.744","0.004","77.236","0.004","3558.1","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Co3(dpa)4(NCMe)2(CCPh)2]PF6, 3.95THF","","","- C65.8 H71.6 Co3 F6 N13 O3.95 P -","- C65.8 H71.6 Co3 F6 N13 O3.95 P -","- C131.6 H143.2 Co6 F12 N26 O7.9 P2 -","2","1","","John F. Berry; F. Albert Cotton; Carlos A. Murillo; Brian K. Roberts","An Efficient Synthesis of Acetylide/Trimetal/Acetylide Molecular Wires","Inorganic Chemistry","2004","43","","2277","2283","10.1021/ic0354320","","","0.71073","MoKα","","0.12","0.0641","","","0.1519","0.1756","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310815","16.856","0.011","15.348","0.01","20.373","0.013","90","","110.906","0.011","90","","4924","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cr3(dpa)4(CCPh)2","","","- C56 H42 Cr3 N12 -","- C56 H42 Cr3 N12 -","- C224 H168 Cr12 N48 -","4","1","","John F. Berry; F. Albert Cotton; Carlos A. Murillo; Brian K. Roberts","An Efficient Synthesis of Acetylide/Trimetal/Acetylide Molecular Wires","Inorganic Chemistry","2004","43","","2277","2283","10.1021/ic0354320","","","0.71073","MoKα","","0.1298","0.0572","","","0.148","0.1864","","","","","","1.051","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310816","16.707","0.004","15.434","0.004","20","0.005","90","","111.204","0.004","90","","4808","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Co3(dpa)4(CCPh)2","","","- C56 H42 Co3 N12 -","- C56 H42 Co3 N12 -","- C224 H168 Co12 N48 -","4","1","","John F. Berry; F. Albert Cotton; Carlos A. Murillo; Brian K. Roberts","An Efficient Synthesis of Acetylide/Trimetal/Acetylide Molecular Wires","Inorganic Chemistry","2004","43","","2277","2283","10.1021/ic0354320","","","0.71073","MoKα","","0.096","0.0459","","","0.1078","0.1298","","","","","","0.995","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310817","16.2406","0.0011","23.6427","0.0016","17.1771","0.0011","90","","96.635","0.001","90","","6551.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ni3(dpa)4(CCPh)2,2.07benzene,0.46hexane","","","- C71.2 H60.9 N12 Ni3 -","- C71.204 H60.916 N12 Ni3 -","- C284.816 H243.664 N48 Ni12 -","4","1","","John F. Berry; F. Albert Cotton; Carlos A. Murillo; Brian K. Roberts","An Efficient Synthesis of Acetylide/Trimetal/Acetylide Molecular Wires","Inorganic Chemistry","2004","43","","2277","2283","10.1021/ic0354320","","","0.71073","MoKα","","0.1015","0.0767","","","0.1766","0.1898","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310818","8.0868","0.0016","22.374","0.004","19.538","0.004","90","","101.747","0.004","90","","3461.1","1.2","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","cis-Mo2(DAniF)2(OAc)2","","","- C34 H36 Mo2 N4 O8 -","- C34 H36 Mo2 N4 O8 -","- C136 H144 Mo8 N16 O32 -","4","2","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo","Systematic Preparation of Mo24+ Building Blocks for Supramolecular Assemblies","Inorganic Chemistry","2004","43","","2267","2276","10.1021/ic035433s","","","0.71073","MoKα","","0.0781","0.0649","","","0.1541","0.1644","","","","","","1.071","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310819","10.7893","0.0005","17.5542","0.0009","18.2354","0.0009","90","","90","","90","","3453.7","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-[Mo2(DAniF)2(OAc)2]","","","- C34 H36 Mo2 N4 O8 -","- C34 H36 Mo2 N4 O8 -","- C136 H144 Mo8 N16 O32 -","4","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo","Systematic Preparation of Mo24+ Building Blocks for Supramolecular Assemblies","Inorganic Chemistry","2004","43","","2267","2276","10.1021/ic035433s","","","0.71073","MoKα","","0.0245","0.0223","","","0.0568","0.0586","","","","","","1.076","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310820","17.8594","0.0012","21.6789","0.0014","12.3258","0.0008","90","","94.761","0.001","90","","4755.7","0.5","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","trans-[Mo2(DAniF)2(OAc)(NCCH3)2]BF4","","","- C42 H54 B F4 Mo2 N6 O7.5 -","- C42 H54 B F4 Mo2 N6 O7.5 -","- C168 H216 B4 F16 Mo8 N24 O30 -","4","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo","Systematic Preparation of Mo24+ Building Blocks for Supramolecular Assemblies","Inorganic Chemistry","2004","43","","2267","2276","10.1021/ic035433s","","","0.71073","MoKα","","0.0476","0.0401","","","0.0981","0.1059","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310821","12.9175","0.0007","9.6959","0.0005","18.2937","0.001","90","","104.471","0.001","90","","2218.5","0.2","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","trans-[Mo2(DAniF)2(CH3CN)4](BF4)2","","","- C38 H42 B2 F8 Mo2 N8 O4 -","- C38 H42 B2 F8 Mo2 N8 O4 -","- C76 H84 B4 F16 Mo4 N16 O8 -","2","0.5","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo","Systematic Preparation of Mo24+ Building Blocks for Supramolecular Assemblies","Inorganic Chemistry","2004","43","","2267","2276","10.1021/ic035433s","","","0.71073","MoKα","","0.0307","0.0261","","","0.0693","0.0735","","","","","","1.056","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310822","11.1461","0.0007","16.2197","0.0011","19.1059","0.0013","101.377","0.001","95.957","0.001","106.34","0.001","3202.5","0.4","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H25.5 B3 F12 Mo2 N7.5 O2 -","- C17 H25.5 B3 F12.0015 Mo2 N7.5 O2 -","- C68 H102 B12 F48.006 Mo8 N30 O8 -","4","2","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo","Systematic Preparation of Mo24+ Building Blocks for Supramolecular Assemblies","Inorganic Chemistry","2004","43","","2267","2276","10.1021/ic035433s","","","0.71073","MoKα","","0.0663","0.0481","","","0.1166","0.1279","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310823","11.6923","0.0017","12.8464","0.0018","17.616","0.002","98.149","0.003","105.677","0.003","112.233","0.002","2268.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- Cd4 Ge2 Na12 O102.2 W18 -","- Cd4 Ge2 Na12 O102.2 W18 -","- Cd4 Ge2 Na12 O102.2 W18 -","1","0.5","","Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Naresh S. Dalal; Urs Rauwald; Welbeck Danquah; Didier Ravot","Sandwich-type Germanotungstates: Structure and Magnetic Properties of the Dimeric Polyoxoanions [M~4~(H~2~O)~2~(GeW~9~O~34~)~2~]^12-^ (M = Mn^2+^, Cu^2+^, Zn^2+^, Cd^2+^)","Inorganic Chemistry","2004","43","","2308","2317","10.1021/ic0354421","","","0.71073","MoKα","","0.074","0.0591","","","0.143","0.1544","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310824","13.0419","0.0008","17.8422","0.001","21.1626","0.0012","90","","93.312","0.001","90","","4916.2","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Ge2 H80 Mn4 Na12 O108 W18 -","- Ge2 Mn4 Na11 O108 W18 -","- Ge4 Mn8 Na22 O216 W36 -","2","0.5","","Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Naresh S. Dalal; Urs Rauwald; Welbeck Danquah; Didier Ravot","Sandwich-type Germanotungstates: Structure and Magnetic Properties of the Dimeric Polyoxoanions [M~4~(H~2~O)~2~(GeW~9~O~34~)~2~]^12-^ (M = Mn^2+^, Cu^2+^, Zn^2+^, Cd^2+^)","Inorganic Chemistry","2004","43","","2308","2317","10.1021/ic0354421","","","0.71073","MoKα","","0.0871","0.0771","","","0.1378","0.1413","","","","","","1.344","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310825","12.2338","0.0017","12.3833","0.0017","15.449","0.002","100.041","0.002","97.034","0.002","101.153","0.002","2231.3","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- Cl Cs2 Cu4 Ge2 H66 Na11 O101 W18 -","- Cl Cs2 Cu4 Ge2 Na10 O101 W18 -","- Cl Cs2 Cu4 Ge2 Na10 O101 W18 -","1","0.5","","Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Naresh S. Dalal; Urs Rauwald; Welbeck Danquah; Didier Ravot","Sandwich-type Germanotungstates: Structure and Magnetic Properties of the Dimeric Polyoxoanions [M~4~(H~2~O)~2~(GeW~9~O~34~)~2~]^12-^ (M = Mn^2+^, Cu^2+^, Zn^2+^, Cd^2+^)","Inorganic Chemistry","2004","43","","2308","2317","10.1021/ic0354421","","","0.71073","MoKα","","0.0506","0.0414","","","0.1007","0.1103","","","","","","1.138","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310826","11.589","0.003","12.811","0.003","17.221","0.004","97.828","0.006","106.169","0.006","112.113","0.005","2189.9","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Ge2 H68 Na12 O102 W18 Zn4 -","- Ge2 Na12 O102 W18 Zn4 -","- Ge2 Na12 O102 W18 Zn4 -","1","0.5","","Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Naresh S. Dalal; Urs Rauwald; Welbeck Danquah; Didier Ravot","Sandwich-type Germanotungstates: Structure and Magnetic Properties of the Dimeric Polyoxoanions [M~4~(H~2~O)~2~(GeW~9~O~34~)~2~]^12-^ (M = Mn^2+^, Cu^2+^, Zn^2+^, Cd^2+^)","Inorganic Chemistry","2004","43","","2308","2317","10.1021/ic0354421","","","0.71073","MoKα","","0.0718","0.045","","","0.0988","0.1177","","","","","","1.029","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310827","9.893","0.004","11.133","0.007","12.673","0.006","96.71","0.05","102.6","0.04","102.69","0.04","1308.8","1.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 B F4 N2 P2 -","- C29 H25 B F4 N2 P2 -","- C58 H50 B2 F8 N4 P4 -","2","1","","Zhaofu Fei; Nermin Biricik; Dongbin Zhao; Rosario Scopelliti; Paul J. Dyson","Transformation between Diphosphinoamines and Iminobiphosphines: a Reversible PNP \λeftarrow→NP-P Rearrangement Triggered by Protonation/Deprotonation","Inorganic Chemistry","2004","43","","2228","2230","10.1021/ic049850w","","","0.7107","MoKα","","0.0903","0.0601","","","0.1687","0.1951","","","","","","1.029","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310828","19.359","0.004","19.501","0.004","14.1785","0.0018","90","","90","","90","","5352.7","1.7","140","2","140","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C55 H48 B Cl4 F4 N3 P4 -","- C55 H48 B Cl4 F4 N3 P4 -","- C220 H192 B4 Cl16 F16 N12 P16 -","4","0.5","","Zhaofu Fei; Nermin Biricik; Dongbin Zhao; Rosario Scopelliti; Paul J. Dyson","Transformation between Diphosphinoamines and Iminobiphosphines: a Reversible PNP \λeftarrow→NP-P Rearrangement Triggered by Protonation/Deprotonation","Inorganic Chemistry","2004","43","","2228","2230","10.1021/ic049850w","","","0.7107","MoKα","","0.0738","0.056","","","0.1604","0.1772","","","","","","1.176","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310829","20.522","0.004","16.114","0.003","16.701","0.003","90","","90","","90","","5522.9","1.8","301","2","301","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H52 Au2 Cl4 O5 P2 -","- C56 H48 Au2 Cl4 O5 P2 -","- C224 H192 Au8 Cl16 O20 P8 -","4","0.5","","Xiao-Xia Lu; Chi-Kwan Li; Eddie Chung-Chin Cheng; Nianyong Zhu; Vivian Wing-Wah Yam","Syntheses, Structural Characterization, and Host-Guest Chemistry of Ethynylcrown Ether Containing Polynuclear Gold(I) Complexes","Inorganic Chemistry","2004","43","","2225","2227","10.1021/ic0499603","","","0.71073","MoKα","","0.0619","0.0382","","","0.1039","0.1182","","","","","","0.961","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310830","8.709","0.002","31.628","0.006","17.108","0.003","90","","99.63","0.03","90","","4646","1.7","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106 H92 Au4 O8 P4 -","- C106 H64 Au4 O8 P4 -","- C212 H128 Au8 O16 P8 -","2","0.5","","Xiao-Xia Lu; Chi-Kwan Li; Eddie Chung-Chin Cheng; Nianyong Zhu; Vivian Wing-Wah Yam","Syntheses, Structural Characterization, and Host-Guest Chemistry of Ethynylcrown Ether Containing Polynuclear Gold(I) Complexes","Inorganic Chemistry","2004","43","","2225","2227","10.1021/ic0499603","","","0.71069","MoKα","","0.1013","0.0499","","","0.1212","0.1653","","","","","","0.934","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310831","11.816","0.002","15.903","0.003","17.163","0.005","90","","93.51","","90","","3219","1.2","122","2","122","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H41 Co2 F18 N10 P3 -","- C13 H38 Co2 F18 N10 P3 -","- C52 H152 Co8 F72 N40 P12 -","4","1","","Pauli Kofod; Pernille Harris","NMR Spectroscopic and X-ray Crystallographic Study of Methylcobalt(III) Compounds with Saturated Amine Ligands","Inorganic Chemistry","2004","43","","2680","2688","10.1021/ic0302682","","","0.71073","MoKα","","0.0734","0.0583","","","0.1642","0.1788","","","","","","1.325","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310832","9.406","0.002","12.07","0.003","24.719","0.005","90","","90","","90","","2806.4","1.1","122","2","122","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H19 Cl4 Co N4 Zn -","- C5 H19 Cl4 Co N4 Zn -","- C40 H152 Cl32 Co8 N32 Zn8 -","8","1","","Pauli Kofod; Pernille Harris","NMR Spectroscopic and X-ray Crystallographic Study of Methylcobalt(III) Compounds with Saturated Amine Ligands","Inorganic Chemistry","2004","43","","2680","2688","10.1021/ic0302682","","","0.71073","MoKα","","0.0448","0.0316","","","0.0757","0.0819","","","","","","1.266","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310833","10.145","0.002","22.277","0.003","13.07","0.002","90","","146.55","0.03","90","","1628.2","1.4","122","2","122","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H25 Cl Co N7 O4 -","- C9 H25 Cl Co N7 O4 -","- C36 H100 Cl4 Co4 N28 O16 -","4","1","","Pauli Kofod; Pernille Harris","NMR Spectroscopic and X-ray Crystallographic Study of Methylcobalt(III) Compounds with Saturated Amine Ligands","Inorganic Chemistry","2004","43","","2680","2688","10.1021/ic0302682","","","0.7107","MoKα","","0.0667","0.0575","","","0.2037","0.2235","","","","","","1.951","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310834","7.654","0.002","13.368","0.002","14.662","0.002","90","","90","","90","","1500.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H22 Cl4 Co N5 Zn -","- C5 H22 Cl4 Co N5 Zn -","- C20 H88 Cl16 Co4 N20 Zn4 -","4","1","","Pauli Kofod; Pernille Harris","NMR Spectroscopic and X-ray Crystallographic Study of Methylcobalt(III) Compounds with Saturated Amine Ligands","Inorganic Chemistry","2004","43","","2680","2688","10.1021/ic0302682","","","0.7107","MoKα","","0.0405","0.0306","","","0.1253","0.1506","","","","","","1.304","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310835","7.8582","0.0014","10.9225","0.0016","12.4882","0.0018","67.231","0.014","72.134","0.014","82.589","0.013","940.6","0.3","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Mn N2 O5 -","- C19 H23 Mn N2 O5 -","- C38 H46 Mn2 N4 O10 -","2","1","","Jean-Pierre Costes; Françoise Dahan; Bruno Donnadieu; Maria-Jesus Rodriguez Douton; Maria-Isabel Fernandez Garcia; Azzedine Bousseksou; Jean-Pierre Tuchagues","Synthesis, Structures, and Magnetic Properties of Novel Mononuclear, Tetranuclear, and 1D Chain MnIII Complexes Involving Three Related Asymmetrical Trianionic Ligands","Inorganic Chemistry","2004","43","","2736","2744","10.1021/ic0348796","","","0.71073","MoKα","","0.0597","0.0371","","","0.0606","0.0704","","","","","","0.895","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310836","23.8283","0.0015","11.1605","0.0007","26.152","0.002","90","","90","","90","","6954.8","0.8","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C37 H40 Mn2 N4 O8 -","- C37 H40 Mn2 N4 O8 -","- C296 H320 Mn16 N32 O64 -","8","1","","Jean-Pierre Costes; Françoise Dahan; Bruno Donnadieu; Maria-Jesus Rodriguez Douton; Maria-Isabel Fernandez Garcia; Azzedine Bousseksou; Jean-Pierre Tuchagues","Synthesis, Structures, and Magnetic Properties of Novel Mononuclear, Tetranuclear, and 1D Chain MnIII Complexes Involving Three Related Asymmetrical Trianionic Ligands","Inorganic Chemistry","2004","43","","2736","2744","10.1021/ic0348796","","","0.71073","MoKα","","0.0593","0.0453","","","0.096","0.1014","","","","","","0.829","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310837","11.7443","0.0014","7.5996","0.001","18.029","0.002","90","","100.604","0.01","90","","1581.6","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Mn N2 O4 -","- C17 H17 Mn N2 O4 -","- C68 H68 Mn4 N8 O16 -","4","1","","Jean-Pierre Costes; Françoise Dahan; Bruno Donnadieu; Maria-Jesus Rodriguez Douton; Maria-Isabel Fernandez Garcia; Azzedine Bousseksou; Jean-Pierre Tuchagues","Synthesis, Structures, and Magnetic Properties of Novel Mononuclear, Tetranuclear, and 1D Chain MnIII Complexes Involving Three Related Asymmetrical Trianionic Ligands","Inorganic Chemistry","2004","43","","2736","2744","10.1021/ic0348796","","","0.71073","MoKα","","0.0351","0.0296","","","0.0559","0.0585","","","","","","0.923","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310838","8.362","0.0003","10.7185","0.0004","13.4273","0.0005","96.057","0.001","104.175","0.001","110.046","0.001","1072.16","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine)phenyl-platinum(II) hexafluorophosphate acetonitrile solvate","","- C19 H17 F6 N6 P Pt -","- C19 H17 F6 N6 P Pt -","- C38 H34 F12 N12 P2 Pt2 -","2","1","","Stuart A. Willison; Hershel Jude; Ryan M. Antonelli; Jeffrey M. Rennekamp; Nathan A. Eckert; Jeanette A. Krause Bauer; William B. Connick","A Luminescent Platinum(II) 2,6-Bis(N-pyrazolyl)pyridine Complex","Inorganic Chemistry","2004","43","","2548","2555","10.1021/ic035066k","","","0.71073","MoKα","","0.0277","0.0218","","","0.0498","0.0521","","","","","","1.04","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310839","11.3218","0.0005","6.7716","0.0003","20.6501","0.0006","90","","105.883","0.002","90","","1522.73","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,6-bis(N-pyrazolyl)pyridine)chloro-platinum(II) chloride dihydrate","","- C11 H13 Cl2 N5 O2 Pt -","- C11 H13 Cl2 N5 O2 Pt -","- C44 H52 Cl8 N20 O8 Pt4 -","4","1","","Stuart A. Willison; Hershel Jude; Ryan M. Antonelli; Jeffrey M. Rennekamp; Nathan A. Eckert; Jeanette A. Krause Bauer; William B. Connick","A Luminescent Platinum(II) 2,6-Bis(N-pyrazolyl)pyridine Complex","Inorganic Chemistry","2004","43","","2548","2555","10.1021/ic035066k","","","0.71073","MoKα","","0.0529","0.031","","","0.0727","0.0825","","","","","","1.034","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310840","10.8159","0.0012","10.8159","0.0012","10.8159","0.0012","90","","90","","90","","1265.3","0.2","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C6 Cr Mn N6 Na -","- C6 Cr Mn N6 Na -","- C24 Cr4 Mn4 N24 Na4 -","4","0.0208333","","Wen Dong; Li-Na Zhu; Hai-Bin Song; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Peng Cheng; Song Gao","A Prussian-Blue Type Ferrimagnet Na[MnCr(CN)6]: Single Crystal Structure and Magnetic Properties","Inorganic Chemistry","2004","43","","2465","2467","10.1021/ic0352710","","","0.71073","MoKα","","0.0584","0.052","","","0.132","0.1379","","","","","","1.36","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310841","11.092","0.002","15.078","0.002","19.185","0.003","67.634","0.006","88.134","0.006","82.276","0.009","2939.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H87 B2 N4 O0.5 -","- C62 H82 B2 N4 O0.5 -","- C124 H164 B4 N8 O -","2","1","","T. Chivers; C. Fedorchuk; M. Parvez","Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups","Inorganic Chemistry","2004","43","","2643","2653","10.1021/ic0352755","","","0.71073","MoKα","","0.1061","0.0631","","","0.1626","0.1875","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310842","10.5766","0.0004","20.9002","0.0008","18.2412","0.001","90","","93.037","0.002","90","","4026.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 B Li2 N2 O3 -","- C42 H63 B Li2 N2 O3 -","- C168 H252 B4 Li8 N8 O12 -","4","1","","T. Chivers; C. Fedorchuk; M. Parvez","Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups","Inorganic Chemistry","2004","43","","2643","2653","10.1021/ic0352755","","","0.71073","MoKα","","0.1317","0.0771","","","0.1708","0.192","","","","","","1.12","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310843","12.58","0.002","18.196","0.002","19.164","0.003","99.14","0.008","104.177","0.006","95.163","0.006","4160.9","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H134 B2 In Li N4 O4 -","- C90 H133.03 B2 In Li N4 O4 -","- C180 H266.06 B4 In2 Li2 N8 O8 -","2","1","","T. Chivers; C. Fedorchuk; M. Parvez","Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups","Inorganic Chemistry","2004","43","","2643","2653","10.1021/ic0352755","","","0.71073","MoKα","","0.0877","0.0661","","","0.1792","0.2002","","","","","","1.044","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310844","11.7907","0.0005","13.1664","0.0005","11.9232","0.0006","90","","113.866","0.002","90","","1692.7","0.13","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H23 B Cl N -","- C18 H23 B Cl N -","- C72 H92 B4 Cl4 N4 -","4","1","","T. Chivers; C. Fedorchuk; M. Parvez","Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups","Inorganic Chemistry","2004","43","","2643","2653","10.1021/ic0352755","","","0.71069","MoKα","","0.0698","0.0424","","","0.1094","0.124","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310845","19.019","0.003","18.461","0.003","20.33","0.004","90","","117.523","0.009","90","","6330","2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H51 B Li2 N2 O2 -","- C30 H51 B Li2 N2 O2 -","- C240 H408 B8 Li16 N16 O16 -","8","2","","T. Chivers; C. Fedorchuk; M. Parvez","Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups","Inorganic Chemistry","2004","43","","2643","2653","10.1021/ic0352755","","","0.71073","MoKα","","0.1075","0.0624","","","0.1485","0.1754","","","","","","1.026","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310846","10.634","0.007","9.724","0.007","14.733","0.013","90","","99.06","0.03","90","","1504","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50 B N3 -","- C31 H50 B N3 -","- C62 H100 B2 N6 -","2","1","","T. Chivers; C. Fedorchuk; M. Parvez","Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups","Inorganic Chemistry","2004","43","","2643","2653","10.1021/ic0352755","","","0.71073","MoKα","","0.0918","0.0613","","","0.1587","0.1843","","","","","","0.937","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310847","4.046","0.002","5.559","0.003","24.237","0.012","90","","90","","90","","545.1","0.5","273","2","273","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Cs Se6 U2 -","- Cs Se6 U2 -","- Cs2 Se12 U4 -","2","0.125","","Benny C. Chan; Zeric Hulvey; Kent D. Abney; Peter K. Dorhout","Synthesis and Characterization of AU2Se6 (A = K, Cs)","Inorganic Chemistry","2004","43","","2453","2455","10.1021/ic0353209","","","0.71073","MoKα","","0.0524","0.05","","","0.1279","0.1298","","","","","","1.206","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310848","9.5121","0.0006","9.8819","0.0006","12.1172","0.0007","70.533","0.004","73.473","0.004","82.328","0.004","1028.57","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H11 Al3 Mn N O18 P4 -","- C3 H7 Al3 Mn N O18 P4 -","- C6 H14 Al6 Mn2 N2 O36 P8 -","2","1","","Lei Shi; Jiyang Li; Jihong Yu; Yi Li; Hong Ding; Ruren Xu","[C6N2H14]0.5.[MnAl3(PO4)4(H2O)2]: A Manganese(II)-Substituted Aluminophosphate with AFN Topology","Inorganic Chemistry","2004","43","","2703","2707","10.1021/ic035329a","","","0.71073","MoKα","","0.0794","0.0586","","","0.1693","0.1877","","","","","","1.046","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310849","21.809","0.004","7.3695","0.0013","7.3954","0.0013","90","","103.753","0.003","90","","1154.5","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Co3 F2 N2 O8 P2 -","- C4 H2 Co3 F2 N2 O8 P2 -","- C16 H8 Co12 F8 N8 O32 P8 -","4","0.5","","Wei-Kuo Chang; Ray-Kuang Chiang; Yau-Chen Jiang; Sue-Lein Wang; Shang-Fan Lee; Kwang-Hwa Lii","Metamagnetism in Cobalt Phosphates with Pillared Layer Structures: [Co3(pyz)(HPO4)2F2] and [Co3(4,4'-bpy)(HPO4)2F2].xH2O","Inorganic Chemistry","2004","43","","2564","2568","10.1021/ic0353460","","","0.71073","MoKα","","0.0587","0.0534","","","0.1351","0.1378","","","","","","1.164","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310850","29.94","0.002","7.4421","0.0005","7.417","0.0005","90","","93.444","0.001","90","","1649.65","0.19","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Co3 F2 N2 O8 P2 -","- C10 Co3 F2 N2 O8.73 P2 -","- C40 Co12 F8 N8 O34.92 P8 -","4","0.5","","Wei-Kuo Chang; Ray-Kuang Chiang; Yau-Chen Jiang; Sue-Lein Wang; Shang-Fan Lee; Kwang-Hwa Lii","Metamagnetism in Cobalt Phosphates with Pillared Layer Structures: [Co3(pyz)(HPO4)2F2] and [Co3(4,4'-bpy)(HPO4)2F2].xH2O","Inorganic Chemistry","2004","43","","2564","2568","10.1021/ic0353460","","","0.71073","MoKα","","0.0454","0.0383","","","0.0981","0.1093","","","","","","1.215","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310851","8.0385","0.0015","8.3134","0.0015","8.6759","0.0016","91.924","0.003","100.692","0.003","109.428","0.003","534.43","0.17","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 N8 O14 U -","- C10 H18 N8 O14 U -","- C10 H18 N8 O14 U -","1","0.5","","Antonia E. Bradley; Christopher Hardacre; Mark Nieuwenhuyzen; William R. Pitner; David Sanders; Kenneth R. Seddon; Robert C. Thied","A Structural and Electrochemical Investigation of 1-Alkyl-3-methylimidazolium Salts of the Nitratodioxouranate(VI) Anions [{UO2(NO3)2}2(μ4-C2O4)]2-, [UO2(NO3)3]-, and [UO2(NO3)4]2-","Inorganic Chemistry","2004","43","","2503","2514","10.1021/ic035350b","","","0.71073","MoKα","","0.033","0.033","","","0.0848","0.0848","","","","","","1.054","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310852","11.075","0.004","15.077","0.004","29.599","0.008","102.167","0.009","94.297","0.008","108.971","0.006","4514","2","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N8 O20 U2 -","- C14 H22 N8 O20 U2 -","- C84 H132 N48 O120 U12 -","6","3","","Antonia E. Bradley; Christopher Hardacre; Mark Nieuwenhuyzen; William R. Pitner; David Sanders; Kenneth R. Seddon; Robert C. Thied","A Structural and Electrochemical Investigation of 1-Alkyl-3-methylimidazolium Salts of the Nitratodioxouranate(VI) Anions [{UO2(NO3)2}2(μ4-C2O4)]2-, [UO2(NO3)3]-, and [UO2(NO3)4]2-","Inorganic Chemistry","2004","43","","2503","2514","10.1021/ic035350b","","","0.71073","MoKα","","0.2095","0.1065","","","0.2895","0.3377","","","","","","1.155","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310853","15.405","0.003","19.744","0.004","10.5297","0.0018","90","","106.629","0.004","90","","3068.7","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N8 O20 U2 -","- C16 H26 N8 O20 U2 -","- C64 H104 N32 O80 U8 -","4","1","","Antonia E. Bradley; Christopher Hardacre; Mark Nieuwenhuyzen; William R. Pitner; David Sanders; Kenneth R. Seddon; Robert C. Thied","A Structural and Electrochemical Investigation of 1-Alkyl-3-methylimidazolium Salts of the Nitratodioxouranate(VI) Anions [{UO2(NO3)2}2(μ4-C2O4)]2-, [UO2(NO3)3]-, and [UO2(NO3)4]2-","Inorganic Chemistry","2004","43","","2503","2514","10.1021/ic035350b","","","0.71073","MoKα","","0.0749","0.0414","","","0.0947","0.1297","","","","","","1.016","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310854","10.6247","0.0017","19.02","0.003","17.095","0.003","90","","100.856","0.003","90","","3392.8","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 N8 O20 U2 -","- C20 H34 N8 O20 U2 -","- C80 H136 N32 O80 U8 -","4","1","","Antonia E. Bradley; Christopher Hardacre; Mark Nieuwenhuyzen; William R. Pitner; David Sanders; Kenneth R. Seddon; Robert C. Thied","A Structural and Electrochemical Investigation of 1-Alkyl-3-methylimidazolium Salts of the Nitratodioxouranate(VI) Anions [{UO2(NO3)2}2(μ4-C2O4)]2-, [UO2(NO3)3]-, and [UO2(NO3)4]2-","Inorganic Chemistry","2004","43","","2503","2514","10.1021/ic035350b","","","0.71073","MoKα","","0.0456","0.0322","","","0.0734","0.0888","","","","","","1.003","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310855","14.722","0.003","32.631","0.007","10.587","0.002","90","","96.555","0.005","90","","5052.7","1.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H57 N11 O23 U2 -","- C32 H57 N11 O23 U2 -","- C128 H228 N44 O92 U8 -","4","1","","Antonia E. Bradley; Christopher Hardacre; Mark Nieuwenhuyzen; William R. Pitner; David Sanders; Kenneth R. Seddon; Robert C. Thied","A Structural and Electrochemical Investigation of 1-Alkyl-3-methylimidazolium Salts of the Nitratodioxouranate(VI) Anions [{UO2(NO3)2}2(μ4-C2O4)]2-, [UO2(NO3)3]-, and [UO2(NO3)4]2-","Inorganic Chemistry","2004","43","","2503","2514","10.1021/ic035350b","","","0.71073","MoKα","","0.2117","0.1506","","","0.4105","0.4463","","","","","","1.067","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310856","8.1071","0.0007","9.288","0.0008","28.349","0.002","95.467","0.002","91.533","0.004","93.733","0.002","2119.3","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H62 N8 O14 U -","- C32 H62 N8 O14 U -","- C64 H124 N16 O28 U2 -","2","1","","Antonia E. Bradley; Christopher Hardacre; Mark Nieuwenhuyzen; William R. Pitner; David Sanders; Kenneth R. Seddon; Robert C. Thied","A Structural and Electrochemical Investigation of 1-Alkyl-3-methylimidazolium Salts of the Nitratodioxouranate(VI) Anions [{UO2(NO3)2}2(μ4-C2O4)]2-, [UO2(NO3)3]-, and [UO2(NO3)4]2-","Inorganic Chemistry","2004","43","","2503","2514","10.1021/ic035350b","","","0.71073","MoKα","","0.043","0.0386","","","0.0963","0.1022","","","","","","1.041","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310857","9.149","0.002","9.973","0.002","24.33","0.006","94.643","0.004","96.437","0.004","113.847","0.004","1998.1","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H93 N13 O20 U2 -","- C52 H93 N13 O20 U2 -","- C52 H93 N13 O20 U2 -","1","0.5","","Antonia E. Bradley; Christopher Hardacre; Mark Nieuwenhuyzen; William R. Pitner; David Sanders; Kenneth R. Seddon; Robert C. Thied","A Structural and Electrochemical Investigation of 1-Alkyl-3-methylimidazolium Salts of the Nitratodioxouranate(VI) Anions [{UO2(NO3)2}2(μ4-C2O4)]2-, [UO2(NO3)3]-, and [UO2(NO3)4]2-","Inorganic Chemistry","2004","43","","2503","2514","10.1021/ic035350b","","","0.71073","MoKα","","0.148","0.0937","","","0.2392","0.284","","","","","","1.051","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310858","12.8419","0.0005","20.2154","0.0008","16.5434","0.0007","90","","91.277","0.001","90","","4293.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 O9 P2 Pt3 Rh2 -","- C33 H54 O9 P2 Pt3 Rh2 -","- C132 H216 O36 P8 Pt12 Rh8 -","4","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Jack L. Smith","Platinum-Rhodium Carbonyl Clusters: New Structures and New Types of Dynamical Activity","Inorganic Chemistry","2004","43","","2695","2702","10.1021/ic0353920","","","0.71073","MoKα","","0.0749","0.0468","","","0.1151","0.1299","","","","","","1.026","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310859","39.314","0.003","12.0693","0.0009","12.3772","0.0009","90","","90","","90","","5872.9","0.8","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H81 O8 P3 Pt3 Rh2 -","- C44 H81 O8 P3 Pt3 Rh2 -","- C176 H324 O32 P12 Pt12 Rh8 -","4","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Jack L. Smith","Platinum-Rhodium Carbonyl Clusters: New Structures and New Types of Dynamical Activity","Inorganic Chemistry","2004","43","","2695","2702","10.1021/ic0353920","","","0.71073","MoKα","","0.0729","0.0487","","","0.0916","0.0999","","","","","","1.02","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310860","23.1623","0.0009","12.608","0.0005","37.4151","0.0015","90","","90","","90","","10926.3","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H81 O9 P3 Pt Rh4 -","- C45 H81 O9 P3 Pt Rh4 -","- C360 H648 O72 P24 Pt8 Rh32 -","8","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Jack L. Smith","Platinum-Rhodium Carbonyl Clusters: New Structures and New Types of Dynamical Activity","Inorganic Chemistry","2004","43","","2695","2702","10.1021/ic0353920","","","0.71073","MoKα","","0.0521","0.0331","","","0.077","0.09","","","","","","1.067","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310861","25.3187","0.0015","14.6823","0.0009","26.4675","0.0016","90","","112.726","0.001","90","","9075.1","1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H112 Cl4 O16 P4 Pt4 Rh6 -","- C66 H112 Cl4 O16 P4 Pt4 Rh6 -","- C264 H448 Cl16 O64 P16 Pt16 Rh24 -","4","0.5","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Jack L. Smith","Platinum-Rhodium Carbonyl Clusters: New Structures and New Types of Dynamical Activity","Inorganic Chemistry","2004","43","","2695","2702","10.1021/ic0353920","","","0.71073","MoKα","","0.0573","0.0496","","","0.1321","0.1398","","","","","","1.062","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310862","18.688","0.004","26.355","0.005","13.377","0.003","90","","133.01","0.03","90","","4818","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H39 N4 Ni2 O11.7 Pb -","- C38 H39 N4 Ni2 O11.806 Pb -","- C152 H156 N16 Ni8 O47.224 Pb4 -","4","0.5","","John H. Thurston; Christopher G.-Z. Tang; Daniel W. Trahan; Kenton H. Whitmire","Toward Rational Control of Metal Stoichiometry in Heterobimetallic Coordination Complexes: Synthesis and Characterization of Pb(Hsal)2(Cu(salen*))2, [Pb(NO3)(Cu(salen*))2](NO3), Pb(OAc)2(Cu(salen*)), and [Pb(OAc)(Ni(salen*))2](OAc)","Inorganic Chemistry","2004","43","","2708","2713","10.1021/ic035427w","","","0.71073","MoKα","","0.0758","0.0533","","","0.1626","0.1769","","","","","","1.139","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310863","10.48","0.002","10.515","0.002","11.988","0.002","71.5","0.03","64.5","0.03","79.52","0.03","1129.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Cu2 N4 O14 Pb -","- C50 H46 Cu2 N4 O14 Pb -","- C50 H46 Cu2 N4 O14 Pb -","1","0.5","","John H. Thurston; Christopher G.-Z. Tang; Daniel W. Trahan; Kenton H. Whitmire","Toward Rational Control of Metal Stoichiometry in Heterobimetallic Coordination Complexes: Synthesis and Characterization of Pb(Hsal)2(Cu(salen*))2, [Pb(NO3)(Cu(salen*))2](NO3), Pb(OAc)2(Cu(salen*)), and [Pb(OAc)(Ni(salen*))2](OAc)","Inorganic Chemistry","2004","43","","2708","2713","10.1021/ic035427w","","","0.71073","MoKα","","0.0447","0.0352","","","0.0702","0.0728","","","","","","0.984","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310864","22.868","0.005","15.543","0.003","23.434","0.005","90","","90","","90","","8329","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cu2 N5 O12 Pb -","- C36 H36 Cu2 N5 O12 Pb -","- C288 H288 Cu16 N40 O96 Pb8 -","8","1","","John H. Thurston; Christopher G.-Z. Tang; Daniel W. Trahan; Kenton H. Whitmire","Toward Rational Control of Metal Stoichiometry in Heterobimetallic Coordination Complexes: Synthesis and Characterization of Pb(Hsal)2(Cu(salen*))2, [Pb(NO3)(Cu(salen*))2](NO3), Pb(OAc)2(Cu(salen*)), and [Pb(OAc)(Ni(salen*))2](OAc)","Inorganic Chemistry","2004","43","","2708","2713","10.1021/ic035427w","","","0.71073","MoKα","","0.0847","0.0582","","","0.2004","0.2278","","","","","","1.066","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310865","9.99","0.002","10.759","0.002","12.576","0.003","110.96","0.03","103.97","0.03","97.73","0.03","1188","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cu N2 O9 Pb -","- C22 H24 Cu N2 O9 Pb -","- C44 H48 Cu2 N4 O18 Pb2 -","2","1","","John H. Thurston; Christopher G.-Z. Tang; Daniel W. Trahan; Kenton H. Whitmire","Toward Rational Control of Metal Stoichiometry in Heterobimetallic Coordination Complexes: Synthesis and Characterization of Pb(Hsal)2(Cu(salen*))2, [Pb(NO3)(Cu(salen*))2](NO3), Pb(OAc)2(Cu(salen*)), and [Pb(OAc)(Ni(salen*))2](OAc)","Inorganic Chemistry","2004","43","","2708","2713","10.1021/ic035427w","","","0.71073","MoKα","","0.0218","0.0196","","","0.0501","0.0509","","","","","","1.039","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4310866","7.6061","0.0004","14.282","0.0007","14.184","0.0007","90","","90","","90","","1540.81","0.13","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cs2 O14 P4 Pd3 -","- Cs2 O14 P4 Pd3 -","- Cs8 O56 P16 Pd12 -","4","0.5","","Kwang-Hwa Lii; Sue-Lein Wang; Fen-Ling Liao","Cs2Pd3(P2O7)2 and Cs2Pd3(As2O7)2: A 3D Palladium Phosphate with a Tunnel Structure and a 2D Palladium Arsenate Containing Strings of Palladium Atoms","Inorganic Chemistry","2004","43","","2499","2502","10.1021/ic035438p","","","0.71073","MoKα","","0.0229","0.0228","","","0.0543","0.0544","","","","","","1.111","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310867","16.251","0.001","16.251","0.001","5.9681","0.0005","90","","90","","90","","1576.15","0.19","295","2","295","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- As4 Cs2 O14 Pd3 -","- As8 Cs4 O28 Pd6 -","- As16 Cs8 O56 Pd12 -","2","0.25","","Kwang-Hwa Lii; Sue-Lein Wang; Fen-Ling Liao","Cs2Pd3(P2O7)2 and Cs2Pd3(As2O7)2: A 3D Palladium Phosphate with a Tunnel Structure and a 2D Palladium Arsenate Containing Strings of Palladium Atoms","Inorganic Chemistry","2004","43","","2499","2502","10.1021/ic035438p","","","0.71073","MoKα","","0.0375","0.0271","","","0.0604","0.0814","","","","","","1.116","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310868","7.9856","0.0004","10.54","0.0005","18.1775","0.0008","90","","99.684","0.001","90","","1508.17","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Mn Ni2 O3 S2 -","- C13 H10 Mn Ni2 O3 S2 -","- C52 H40 Mn4 Ni8 O12 S8 -","4","1","","Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall","Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se","Inorganic Chemistry","2004","43","","2515","2525","10.1021/ic0354419","","","0.71073","MoKα","","0.0262","0.0233","","","0.0573","0.0588","","","","","","1.08","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310869","12.2178","0.0008","10.108","0.0007","14.5679","0.001","90","","95.28","0.001","90","","1791.5","0.2","296","2","296","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C25 H12 Cl2 Mn4 Ni2 O14 S4 -","- C25 H12 Cl2 Mn4 Ni2 O14 S4 -","- C50 H24 Cl4 Mn8 Ni4 O28 S8 -","2","1","","Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall","Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se","Inorganic Chemistry","2004","43","","2515","2525","10.1021/ic0354419","","","0.71073","MoKα","","0.0403","0.0349","","","0.0744","0.0768","","","","","","1.036","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310870","7.9474","0.0007","10.6804","0.001","18.4082","0.0017","90","","98.694","0.002","90","","1544.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Mn Ni2 O3 Se2 -","- C13 H10 Mn Ni2 O3 Se2 -","- C52 H40 Mn4 Ni8 O12 Se8 -","4","1","","Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall","Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se","Inorganic Chemistry","2004","43","","2515","2525","10.1021/ic0354419","","","0.71073","MoKα","","0.0736","0.0529","","","0.1347","0.1472","","","","","","0.985","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310871","16.7406","0.0011","19.2196","0.0012","7.8675","0.0005","90","","90","","90","","2531.3","0.3","296","2","296","2","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C16 H10 Mn2 Ni2 O6 S7 -","- C16 H10 Mn2 Ni2 O6 S7 -","- C64 H40 Mn8 Ni8 O24 S28 -","4","0.5","","Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall","Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se","Inorganic Chemistry","2004","43","","2515","2525","10.1021/ic0354419","","","0.71073","MoKα","","0.0362","0.0316","","","0.0638","0.0657","","","","","","1.04","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310872","12.2308","0.001","10.5483","0.001","10.302","0.001","90","","90","","90","","1329.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H9 Mn Ni O3 S2 -","- C10 H9 Mn Ni O3 S2 -","- C40 H36 Mn4 Ni4 O12 S8 -","4","0.5","","Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall","Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se","Inorganic Chemistry","2004","43","","2515","2525","10.1021/ic0354419","","","0.71073","MoKα","","0.0395","0.0359","","","0.082","0.084","","","","","","1.063","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310873","9.3111","0.0005","11.828","0.0006","14.8528","0.0008","105.764","0.001","93.297","0.001","90.003","0.001","1571.43","0.14","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 Mn Ni O3 S3 -","- C12 H13 Mn Ni O3 S3 -","- C48 H52 Mn4 Ni4 O12 S12 -","4","2","","Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall","Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se","Inorganic Chemistry","2004","43","","2515","2525","10.1021/ic0354419","","","0.71073","MoKα","","0.0657","0.0504","","","0.1057","0.113","","","","","","1.048","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310874","12.3403","0.0006","22.5966","0.0011","23.2645","0.0012","68.783","0.0011","83.7981","0.0012","78.5423","0.0013","5922.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Co8 H40 K7 Na7 O115 P2 W25 -","- Co8 K7 Na7 O115 P2 W25 -","- Co16 K14 Na14 O230 P4 W50 -","2","1","","Juan M. Clemente-Juan; Eugenio Coronado; Alicia Forment-Aliaga; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García","A New Heptanuclear Cobalt(II) Cluster Encapsulated in a Novel Heteropolyoxometalate Topology: Synthesis, Structure, and Magnetic Properties of [Co7(H2O)2(OH)2P2W25O94]16-","Inorganic Chemistry","2004","43","","2689","2694","10.1021/ic0354872","","","0.71069","MoKα","","0.2481","0.0615","","","0.1156","0.1476","","","","","","0.755","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310875","9.9255","0.0008","22.137","0.002","7.2316","0.0006","90","","90","","90","","1588.9","0.2","293","2","293","2","","","","","","","NiO+H2SO4+Pip+H2O+EG","7","P n m a","-P 2ac 2n","62","Layered NiSo4 with PIP","","","- C4 H16 F2 N2 Ni3 O14 S3 -","- C4 H16 F2 N2 Ni3 O14 S3 -","- C16 H64 F8 N8 Ni12 O56 S12 -","4","0.5","","J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao","Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates","Inorganic Chemistry","2004","43","","2636","2642","10.1021/ic035488u","","","0.71073","MoKα","","0.0472","0.0342","","0.0841","0.0778","","","","1.09","1.14","1.14","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310876","7.4812","0.0004","9.8688","0.0005","24.1052","0.0012","90","","90","","90","","1779.7","0.16","293","2","293","2","","","","","","","NiO+H2SO4+DABCO+EG+H2O+HF","7","P b c m","-P 2c 2b","57","Layered NiSo4 with DABCO","","","- C6 H18 F2 N2 Ni3 O14 S3 -","- C3 H9 F N Ni1.5 O7 S1.5 -","- C24 H72 F8 N8 Ni12 O56 S12 -","8","1","","J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao","Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates","Inorganic Chemistry","2004","43","","2636","2642","10.1021/ic035488u","","","0.71073","MoKα","","0.0729","0.0449","","0.1144","0.1001","","","","1.083","1.149","1.149","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310877","12.012","0.0007","7.3584","0.0005","9.9143","0.0006","90","","98.022","0.001","90","","867.74","0.09","293","2","293","2","","","","","","","NiO+H2SO4+1,3-DAP+EG+H2O+HF","7","P 1 c 1","P -2yc","7","Layered NiSo4 with 1,3-DAP","","","- C3 H18 F2 N2 Ni3 O15 S3 -","- C3 H12 F2 N2 Ni3 O15 S3 -","- C6 H24 F4 N4 Ni6 O30 S6 -","2","1","","J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao","Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates","Inorganic Chemistry","2004","43","","2636","2642","10.1021/ic035488u","","","0.71073","MoKα","","0.0676","0.0467","","0.128","0.0999","","","","1.084","0.938","0.938","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310878","10.8722","0.0002","10.8722","0.0002","8.9098","0.0002","90","","90","","90","","1053.18","0.04","293","2","293","2","","","","","","","","7","P 41","P 4w","76","3D NiSO4 with PIP","","","- C4 H14 F4 N2 Ni2 O5 S -","- C4 H14 F4 N2 Ni2 O5 S -","- C16 H56 F16 N8 Ni8 O20 S4 -","4","1","","J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao","Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates","Inorganic Chemistry","2004","43","","2636","2642","10.1021/ic035488u","","","0.71073","MoKα","","0.0336","0.0289","","0.0605","0.0589","","","","1.02","1.038","1.038","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310879","18.5226","0.0017","18.5226","0.0017","15.4736","0.0015","90","","90","","120","","4597.5","0.7","273","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H95 K N8 Ti6 -","- C60 H94.98 K N8 Ti6 -","- C180 H284.94 K3 N24 Ti18 -","3","0.166667","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","x-ray","0.71073","MoKα","","0.0593","0.0445","","","0.1048","0.1138","","","","","","1.047","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310880","18.767","0.006","18.767","0.006","15.741","0.008","90","","90","","120","","4801","3","293","2","293","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C60 H95 N8 Rb Ti6 -","- C60 H94.98 N8 Rb Ti6 -","- C180 H284.94 N24 Rb3 Ti18 -","3","0.166667","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","x-ray","0.71073","MoKα","","0.0497","0.0382","","","0.0919","0.0975","","","","","","1.082","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310881","18.799","0.005","18.799","0.005","16.115","0.005","90","0.005","90","0.005","120","0.005","4932","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H95 Cs N8 Ti6 -","- C60 H94.98 Cs N8 Ti6 -","- C180 H284.94 Cs3 N24 Ti18 -","3","0.166667","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","","0.71069","MoKα","","0.0685","0.0459","","","0.116","0.1256","","","","","","1.08","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310882","15.324","0.003","14.731","0.003","16.68","0.003","90","","90","","90","","3765.3","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C74 H110 Ca N8 Ti6 -","- C77 H94 Ca N8 Ti6 -","- C154 H188 Ca2 N16 Ti12 -","2","0.25","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","x-ray","0.71073","MoKα","","0.2755","0.1052","","","0.2695","0.3532","","","","","","1.013","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310883","14.59","0.003","16.724","0.003","15.165","0.003","90","","90","","90","","3700.3","1.2","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C74 H110 N8 Sr Ti6 -","- C72 H101 N8 Sr Ti6 -","- C144 H202 N16 Sr2 Ti12 -","2","0.25","","Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals","Inorganic Chemistry","2004","43","","2491","2498","10.1021/ic035493y","","x-ray","0.71073","MoKα","","0.1293","0.106","","","0.2522","0.2762","","","","","","1.103","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310884","10.811","0.002","13.08","0.003","18.794","0.004","82.83","0.03","74.96","0.03","70.92","0.03","2423.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 Co2 N4 O7 -","- C52 H56 Co2 N4 O7 -","- C104 H112 Co4 N8 O14 -","2","1","","Hendrik van Rensburg; Robert P. Tooze; Douglas F. Foster; Alexandra M. Z. Slawin","The Synthesis and X-ray Structure of the First Cobalt Carbonyl-NHC Dimer. Implications for the Use of NHCs in Hydroformylation Catalysis","Inorganic Chemistry","2004","43","","2468","2470","10.1021/ic049917f","","","0.71073","MoKα","","0.1879","0.1251","","","0.3043","0.3673","","","","","","1.112","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310885","12.6502","0.0007","9.1502","0.0005","14.8714","0.0008","90","","90.894","0.001","90","","1721.18","0.16","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","none","[Pt(Htc)4]Cl2,ethanol","","- C26 H50 Cl2 N4 O Pt S4 -","- C26 H44 Cl2 N4 O Pt S4 -","- C52 H88 Cl4 N8 O2 Pt2 S8 -","2","0.5","","Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou","Crystallographic Evidence for Chromium-Platinum Interaction","Inorganic Chemistry","2004","43","","2459","2461","10.1021/ic049968c","","","0.71073","MoKα","","0.0357","0.0274","","","0.0646","0.0681","","","","","","1.091","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310886","14.5055","0.0003","14.5055","0.0003","13.8279","0.0005","90","","90","","90","","2909.52","0.14","213","2","213","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","none","PtCr(tc)4","","- C24 H40 Cr N4 Pt S4 -","- C24 H40 Cr N4 Pt S4 -","- C96 H160 Cr4 N16 Pt4 S16 -","4","0.25","","Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou","Crystallographic Evidence for Chromium-Platinum Interaction","Inorganic Chemistry","2004","43","","2459","2461","10.1021/ic049968c","","","0.71073","MoKα","","0.0241","0.0186","","","0.0481","0.054","","","","","","1.092","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310887","15.4221","0.0003","15.4221","0.0003","14.411","0.0006","90","","90","","90","","3427.53","0.17","213","2","213","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","none","PtCr(tc)4.0.5Et2O","","- C26 H45 Cr N4 O0.5 Pt S4 -","- C26 H40 Cr N4 O0.5 Pt S4 -","- C104 H160 Cr4 N16 O2 Pt4 S16 -","4","0.25","","Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou","Crystallographic Evidence for Chromium-Platinum Interaction","Inorganic Chemistry","2004","43","","2459","2461","10.1021/ic049968c","","","0.71073","MoKα","","0.0307","0.0236","","","0.067","0.0745","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310888","13.1872","0.0003","13.1872","0.0003","7.9201","0.0004","90","","90","","90","","1377.32","0.08","213","2","213","2","","","","","","","","7","P 4/n :2","-P 4a","85","none","PtCr(tc)Cl","","- C24 H40 Cl Cr N4 Pt S4 -","- C24 H40 Cl Cr N4 Pt S4 -","- C48 H80 Cl2 Cr2 N8 Pt2 S8 -","2","0.25","","Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou","Crystallographic Evidence for Chromium-Platinum Interaction","Inorganic Chemistry","2004","43","","2459","2461","10.1021/ic049968c","","","0.71073","MoKα","","0.0246","0.0239","","","0.0636","0.0641","","","","","","1.104","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310889","12.5717","0.0003","12.5717","0.0003","12.5475","0.0006","90","","90","","90","","1983.1","0.12","213","2","213","2","","","","","","","","9","P 4/n :2","-P 4a","85","none","tetrakis(dimethylformamide)lithium tetrakis (mu2-2-mercaptopyridinate)chlorochromium(II)platinate(II)","","- C32 H44 Cl Cr Li N8 O4 Pt S4 -","- C32 H44 Cl Cr Li N8 O4 Pt S4 -","- C64 H88 Cl2 Cr2 Li2 N16 O8 Pt2 S8 -","2","0.25","","Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou","Crystallographic Evidence for Chromium-Platinum Interaction","Inorganic Chemistry","2004","43","","2459","2461","10.1021/ic049968c","","","0.71073","MoKα","","0.0131","0.013","","","0.0337","0.0337","","","","","","1.118","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310890","20.0299","0.0018","16.2113","0.0015","18.4857","0.0016","90","","120.196","0.002","90","","5188","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H62 O4 P2 -","- C62 H62 O4 P2 -","- C248 H248 O16 P8 -","4","0.5","","Sanghoon Kim; Jong Seung Kim; Ok Jae Shon; Shim Sung Lee; Ki-Min Park; Sang Ook Kang; Jaejung Ko","Metallic Macrocycle with a 1,3-Alternate Calix[4]arene Phosphorus Ligand","Inorganic Chemistry","2004","43","","2906","2913","10.1021/ic030221g","","","0.71073","MoKα","","0.1724","0.0623","","","0.1478","0.1921","","","","","","0.985","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310891","14.6562","0.0008","13.8847","0.0007","27.5461","0.0014","90","","100.669","0.001","90","","5508.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H62 B F4 O4 P2 Rh -","- C62 H62 B F4 O4 P2 Rh -","- C248 H248 B4 F16 O16 P8 Rh4 -","4","1","","Sanghoon Kim; Jong Seung Kim; Ok Jae Shon; Shim Sung Lee; Ki-Min Park; Sang Ook Kang; Jaejung Ko","Metallic Macrocycle with a 1,3-Alternate Calix[4]arene Phosphorus Ligand","Inorganic Chemistry","2004","43","","2906","2913","10.1021/ic030221g","","","0.71073","MoKα","","0.1451","0.0532","","","0.1086","0.1364","","","","","","0.944","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310892","19.434","0.005","27.224","0.005","13.074","0.005","90","0.005","103.435","0.005","90","0.005","6728","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H74 Cl6 O4 P2 Pt -","- C71 H74 Cl6 O4 P2 Pt -","- C284 H296 Cl24 O16 P8 Pt4 -","4","0.5","","Sanghoon Kim; Jong Seung Kim; Ok Jae Shon; Shim Sung Lee; Ki-Min Park; Sang Ook Kang; Jaejung Ko","Metallic Macrocycle with a 1,3-Alternate Calix[4]arene Phosphorus Ligand","Inorganic Chemistry","2004","43","","2906","2913","10.1021/ic030221g","","","0.71073","Mokα","","0.1059","0.0572","","","0.1116","0.1274","","","","","","0.992","","","","has coordinates,has disorder","134499","2020-10-21","18:00:00",""
"4310893","18.259","0.0001","21.1833","0.0003","23.296","0.0003","90","","97.226","0.001","90","","8939","0.18","203","2","203","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C91 H70 B2 Cl4 Cu2 F8 N4 O4 P4 -","- C91 H70 B2 Cl4 Cu2 F8 N4 O4 P4 -","- C364 H280 B8 Cl16 Cu8 F32 N16 O16 P16 -","4","1","","Sarah L. Howell; Benjamin J. Matthewson; Matthew I. J. Polson; Anthony K. Burrell; Keith C. Gordon","Structural Changes upon Reduction of Dipyrido[2,3-a:3',2'-c]phenazine Probed by Vibrational Spectroscopy, ab Initio Calculations, and Deuteration Studies","Inorganic Chemistry","2004","43","","2876","2887","10.1021/ic030225l","","","0.71073","MoKα","","0.0944","0.0606","","","0.1705","0.1961","","","","","","1.037","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310894","11.849","0.005","21.292","0.007","11.349","0.002","90","","101.91","0.03","90","","2801.6","1.6","293","2","167","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H36 Cl2 Hg N8 O14 -","- C16 H36 Cl2 Hg N8 O14 -","- C64 H144 Cl8 Hg4 N32 O56 -","4","1","","Robert D. Hancock; Joseph H. Reibenspies; Hulisani Maumela","Structural Effects of the Lone Pair on Lead(II), and Parallels with the Coordination Geometry of Mercury(II). Does the Lone Pair on Lead(II) Form H-Bonds? Structures of the Lead(II) and Mercury(II) Complexes of the Pendant-Donor Macrocycle DOTAM (1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane)","Inorganic Chemistry","2004","43","","2981","2987","10.1021/ic030277a","","","0.71073","MoKα","","0.0557","0.0381","","0.1033","0.0878","","","","1.021","1.028","1.028","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310895","12.767","0.003","13.528","0.004","18.385","0.005","101.45","0.02","93.32","0.02","90.53","0.02","3106.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H41 Cl2 N8 O16.5 Pb -","- C16 H41 Cl2 N8 O16.5 Pb -","- C64 H164 Cl8 N32 O66 Pb4 -","4","2","","Robert D. Hancock; Joseph H. Reibenspies; Hulisani Maumela","Structural Effects of the Lone Pair on Lead(II), and Parallels with the Coordination Geometry of Mercury(II). Does the Lone Pair on Lead(II) Form H-Bonds? Structures of the Lead(II) and Mercury(II) Complexes of the Pendant-Donor Macrocycle DOTAM (1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane)","Inorganic Chemistry","2004","43","","2981","2987","10.1021/ic030277a","","","0.71073","MoKa","","0.0904","0.05","","0.124","0.0984","","","","1.097","1.092","1.092","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310896","14.099","0.002","16.125","0.002","22.133","0.005","90","","90","","90","","5031.9","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cl6 Fe2 Re -","- C20 Cl6 Fe2 Re -","- C160 Cl48 Fe16 Re8 -","8","1","","Ricardo González; Raúl Chiozzone; Carlos Kremer; Francesca Guerra; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Magnetic Studies on Hexahalorhenate(IV) Salts of Ferrocenium Cations [Fe(C5R5)2]2[ReX6] (R = H, CH3; X = Cl, Br, I)","Inorganic Chemistry","2004","43","","3013","3019","10.1021/ic030302c","","","0.71073","MoKα","","0.0973","0.0542","","","0.119","0.1452","","","","","","1.105","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310897","14.317","0.003","16.848","0.003","22.099","0.004","90","","90","","90","","5330.6","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br6 Fe2 Re -","- C20 Br6 Fe2 Re -","- C160 Br48 Fe16 Re8 -","8","1","","Ricardo González; Raúl Chiozzone; Carlos Kremer; Francesca Guerra; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Magnetic Studies on Hexahalorhenate(IV) Salts of Ferrocenium Cations [Fe(C5R5)2]2[ReX6] (R = H, CH3; X = Cl, Br, I)","Inorganic Chemistry","2004","43","","3013","3019","10.1021/ic030302c","","","0.71073","MoKα","","0.2422","0.0669","","","0.1342","0.1479","","","","","","0.993","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310898","15.8583","0.0005","15.9368","0.0005","16.9816","0.0006","90","","90","","90","","4291.8","0.2","150","2","150","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C10 H15 Cl1.5 Fe0.5 Re0.25 -","- C10 Cl1.5 Fe0.5 Re0.25 -","- C160 Cl24 Fe8 Re4 -","16","1","","Ricardo González; Raúl Chiozzone; Carlos Kremer; Francesca Guerra; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Magnetic Studies on Hexahalorhenate(IV) Salts of Ferrocenium Cations [Fe(C5R5)2]2[ReX6] (R = H, CH3; X = Cl, Br, I)","Inorganic Chemistry","2004","43","","3013","3019","10.1021/ic030302c","","","1.54178","CuKα","","0.0486","0.0462","","","0.1235","0.1253","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310899","13.029","0.002","9.282","0.0017","18.002","0.003","90","","111.107","0.003","90","","2031","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PaPy3H)MnCl2","","","- C20 H21 Cl2 Mn N5 O -","- C20 H21 Cl2 Mn N5 O -","- C80 H84 Cl8 Mn4 N20 O4 -","4","1","","Kaushik Ghosh; Aura A. Eroy-Reveles; Belem Avila; Theodore R. Holman; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of NO with Mn(II) and Mn(III) Centers Coordinated to Carboxamido Nitrogen: Synthesis of a Manganese Nitrosyl with Photolabile NO","Inorganic Chemistry","2004","43","","2988","2997","10.1021/ic030331n","","","0.71073","MoKα","","0.0388","0.0286","","","0.0689","0.0742","","","","","","1.021","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310900","8.5142","0.0019","14.365","0.003","11.451","0.003","90","","99.483","0.006","90","","1381.4","0.6","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Mn(PaPy3)Cl]ClO4.2CH3CN","","","- C24 H26 Cl2 Mn N7 O5 -","- C24 H26 Cl2 Mn N7 O5 -","- C48 H52 Cl4 Mn2 N14 O10 -","2","1","","Kaushik Ghosh; Aura A. Eroy-Reveles; Belem Avila; Theodore R. Holman; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of NO with Mn(II) and Mn(III) Centers Coordinated to Carboxamido Nitrogen: Synthesis of a Manganese Nitrosyl with Photolabile NO","Inorganic Chemistry","2004","43","","2988","2997","10.1021/ic030331n","","","0.71073","MoKα","","0.0211","0.0204","","","0.0562","0.0565","","","","","","1.033","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310901","12.391","0.005","15.737","0.007","17.102","0.007","90","","110.84","0.01","90","","3117","2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H41 N6 O24.5 V2 -","- C12 H40 N6 O24.5 V2 -","- C48 H160 N24 O98 V8 -","4","0.5","","M. Kaliva; C. P. Raptopoulou; A. Terzis; A. Salifoglou","pH-Specific Synthesis of a Dinuclear Vanadium(V)-Peroxo-Citrate Complex in Aqueous Solutions: pH-Dependent Linkage, Spectroscopic and Structural Correlations with Other Aqueous Vanadium(V)-Peroxo-Citrate and Non-Peroxo Species","Inorganic Chemistry","2004","43","","2895","2905","10.1021/ic034283i","","","0.71073","MoKα","","0.0644","0.0519","","0.1623","0.1475","","","","1.051","1.074","1.074","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310902","33.548","0.006","18.8172","0.0015","27.187","0.002","90","","95.24","0.007","90","","17091","4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Fe(TpivPP)(NO2)(CO)]-","fe2nc","","- C89 H105 Cl Fe K N11 O13 -","- C89 H105 Cl Fe K N11 O13 -","- C712 H840 Cl8 Fe8 K8 N88 O104 -","8","2","","Habib Nasri; Mary K. Ellison; Maoyu Shang; Charles E. Schulz; W. Robert Scheidt","Variable π-Bonding in Iron(II) Porphyrinates with Nitrite, CO, and tert-Butyl Isocyanide: Characterization of [Fe(TpivPP)(NO2)(CO)]-","Inorganic Chemistry","2004","43","","2932","2942","10.1021/ic035119y","","","0.71073","MoKα","","0.1224","0.0775","","","0.185","0.22","","","","","","1.015","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310903","10.46","0.005","11.65","0.005","12.115","0.006","74.22","0.02","65.17","0.01","68.07","0.01","1231.2","1","162","2","162","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H36 Br N3 O8 -","- C18 H36 Br N3 O7.8 -","- C36 H72 Br2 N6 O15.6 -","2","1","","Carmen Anda; Antoni Llobet; Arthur E. Martell; Joseph Reibenspies; Emanuela Berni; Xavier Solans","A Systematic Evaluation of Molecular Recognition Phenomena. 4. Selective Binding of Dicarboxylic Acids to Hexaazamacrocyclic Ligands Based on Molecular Flexibility","Inorganic Chemistry","2004","43","","2793","2802","10.1021/ic035121p","","","0.71073","MoKα","","0.1025","0.0685","","","0.1605","0.2092","","","","","","1.052","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310904","7.699","0.001","18.02","0.001","13.589","0.003","90","","98.82","0.02","90","","1863","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H54 Br4 N6 O8 -","- C26 H52 Br4 N6 O8 -","- C52 H104 Br8 N12 O16 -","2","0.5","","Carmen Anda; Antoni Llobet; Arthur E. Martell; Joseph Reibenspies; Emanuela Berni; Xavier Solans","A Systematic Evaluation of Molecular Recognition Phenomena. 4. Selective Binding of Dicarboxylic Acids to Hexaazamacrocyclic Ligands Based on Molecular Flexibility","Inorganic Chemistry","2004","43","","2793","2802","10.1021/ic035121p","","","0.71069","MoKα","","0.0568","0.0399","","","0.0954","0.1029","","","","","","1.103","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310905","13.801","0.009","11.907","0.009","16.05","0.01","90","","102.3","0.06","90","","2577","3","173.2","","173.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl2 N4 O6 Ru -","- C26 H20 Cl2 N4 O6 Ru -","- C104 H80 Cl8 N16 O24 Ru4 -","4","1","","Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White","Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors","Inorganic Chemistry","2004","43","","2818","2827","10.1021/ic0351895","","","0.7107","MoKα","","","0.0642","","","","0.0553","","","","","","2.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310906","8.173","0.003","21.675","0.007","16.41","0.007","90","","107.68","0.03","90","","2769.7","1.9","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl F6 N4 O2 P Ru -","- C26 H22 Cl F6 N4 O2 P Ru -","- C104 H88 Cl4 F24 N16 O8 P4 Ru4 -","4","1","","Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White","Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors","Inorganic Chemistry","2004","43","","2818","2827","10.1021/ic0351895","","","0.71073","MoKα","","0.064","0.036","","0.092","","0.044","","","2.209","","","1.263","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310907","18.799","0.007","8.545","0.003","19.402","0.008","90","","115.51","0.03","90","","2813","2","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl F6 N4 O P Ru -","- C27 H24 Cl F6 N4 O P Ru -","- C108 H96 Cl4 F24 N16 O4 P4 Ru4 -","4","1","","Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White","Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors","Inorganic Chemistry","2004","43","","2818","2827","10.1021/ic0351895","","","0.71073","MoKα","","0.07","0.047","","0.062","","0.057","","","1.417","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310908","14.092","0.005","14.203","0.004","14.701","0.005","90","","106.99","0.03","90","","2814","1.7","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl F6 N4 O P Ru -","- C27 H24 Cl F6 N4 O P Ru -","- C108 H96 Cl4 F24 N16 O4 P4 Ru4 -","4","1","","Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White","Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors","Inorganic Chemistry","2004","43","","2818","2827","10.1021/ic0351895","","","0.71073","MoKα","","0.07","0.049","","0.069","","0.07","","","1.641","","","1.816","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310909","15.97","0.01","11.172","0.006","8.192","0.004","68.26","0.04","81.69","0.04","81.05","0.05","1335.1","1.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl2 N4 O5 Ru -","- C27 H24 Cl2 N4 O5 Ru -","- C54 H48 Cl4 N8 O10 Ru2 -","2","1","","Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White","Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors","Inorganic Chemistry","2004","43","","2818","2827","10.1021/ic0351895","","","0.71073","MoKα","","0.082","0.061","","0.088","","0.079","","","1.881","","","1.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310910","17.082","0.005","13.275","0.002","10.479","0.002","90","","90","","90","","2376.3","0.9","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl2 N5 O5 Ru -","- C21 H17 Cl2 N5 O5 Ru -","- C84 H68 Cl8 N20 O20 Ru4 -","4","1","","Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White","Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors","Inorganic Chemistry","2004","43","","2818","2827","10.1021/ic0351895","","","0.71073","MoKα","","0.089","0.052","","0.071","","0.06","","","1.13","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310911","13.828","0.004","12.515","0.002","15.501","0.004","90","","109.26","0.02","90","","2532.4","1.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl2 N5 O5 Ru -","- C23 H21 Cl2 N5 O5 Ru -","- C92 H84 Cl8 N20 O20 Ru4 -","4","1","","Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White","Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors","Inorganic Chemistry","2004","43","","2818","2827","10.1021/ic0351895","","","0.71073","MoKα","","0.056","0.047","","0.052","","0.05","","","1.025","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310912","8.612","0.005","13.314","0.008","22.727","0.01","90","","94.48","0.04","90","","2598","2","293.2","","293.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl F6 N4 O3 P Ru -","- C22 H16 Cl F6 N4 O3 P Ru -","- C88 H64 Cl4 F24 N16 O12 P4 Ru4 -","4","1","","Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White","Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors","Inorganic Chemistry","2004","43","","2818","2827","10.1021/ic0351895","","","0.7107","MoKα","","","0.0571","","","","0.042","","","","","","2.159","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310913","6.1621","0.001","20.7343","0.001","12.334","0.001","90","","98.562","0.01","90","","1558.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(bmmp-TASN)Ni]","[(bmmp-TASN)Ni]","","- C12 H26 N2 Ni S2 -","- C12 H26 N2 Ni S2 -","- C48 H104 N8 Ni4 S8 -","4","1","","Craig A. Grapperhaus; Christopher S. Mullins; Pawel M. Kozlowski; Mark S. Mashuta","Synthesis and Oxygenation of a Nickel(II) and Zinc(II) Dithiolate: An Experimental and Theoretical Comparison","Inorganic Chemistry","2004","43","","2859","2866","10.1021/ic035205y","","","0.71073","MoKα","","0.0577","0.0487","","","0.1222","0.1294","","","","","","1.088","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310914","6.604","0.0013","12.515","0.003","20.482","0.004","90","","97.63","0.03","90","","1677.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(bmmp-TASN)Ni]","[(bmmp-TASN)Ni]","","- C12 H26 N2 Ni O2 S2 -","- C12 H26 N2 Ni O2 S2 -","- C48 H104 N8 Ni4 O8 S8 -","4","1","","Craig A. Grapperhaus; Christopher S. Mullins; Pawel M. Kozlowski; Mark S. Mashuta","Synthesis and Oxygenation of a Nickel(II) and Zinc(II) Dithiolate: An Experimental and Theoretical Comparison","Inorganic Chemistry","2004","43","","2859","2866","10.1021/ic035205y","","","0.71073","MoKα","","0.0575","0.0393","","","0.0863","0.0957","","","","","","1.008","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310915","7.083","0.003","11.497","0.004","20.83","0.007","90","","90","","90","","1696.3","1.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[(bmmp-TASN)Zn]","[(bmmp-TASN)Zn]","","- C12 H26 N2 S2 Zn -","- C12 H26 N2 S2 Zn -","- C48 H104 N8 S8 Zn4 -","4","0.5","","Craig A. Grapperhaus; Christopher S. Mullins; Pawel M. Kozlowski; Mark S. Mashuta","Synthesis and Oxygenation of a Nickel(II) and Zinc(II) Dithiolate: An Experimental and Theoretical Comparison","Inorganic Chemistry","2004","43","","2859","2866","10.1021/ic035205y","","","0.71073","MoKα","","0.143","0.043","","","0.079","0.088","","","","","","1.01","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310916","11.5838","0.0011","12.4871","0.0012","12.0844","0.0012","90","","98.66","0.002","90","","1728.1","0.3","293","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(bmmp-TASN)]","[(bmmp-TASN)]","","- C12 H28 N2 O6 S2 -","- C12 H28 N2 O6 S2 -","- C48 H112 N8 O24 S8 -","4","1","","Craig A. Grapperhaus; Christopher S. Mullins; Pawel M. Kozlowski; Mark S. Mashuta","Synthesis and Oxygenation of a Nickel(II) and Zinc(II) Dithiolate: An Experimental and Theoretical Comparison","Inorganic Chemistry","2004","43","","2859","2866","10.1021/ic035205y","","","0.71073","MoKα","","0.0556","0.0369","","","0.0807","0.0861","","","","","","1.039","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310917","7.834","0.0016","11.137","0.002","11.893","0.002","90","","90.71","0.03","90","","1037.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-allyl-2,3-dimethylimidazolium bromide","","- C8 H13 Br N2 -","- C8 H13 Br N2 -","- C32 H52 Br4 N8 -","4","1","","Philipp Kölle; Richard Dronskowski","Hydrogen Bonding in the Crystal Structures of the Ionic Liquid Compounds Butyldimethylimidazolium Hydrogen Sulfate, Chloride, and Chloroferrate(II,III)","Inorganic Chemistry","2004","43","","2803","2809","10.1021/ic035237l","","","0.71073","MoKα","","0.107","0.0453","","","0.1021","0.1249","","","","","","0.943","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310918","8.38","0.0017","11.71","0.002","10.76","0.002","90","","90.74","0.03","90","","1055.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-butyl-2,3-dimethylimidazolium chloride","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C36 H68 Cl4 N8 -","4","1","","Philipp Kölle; Richard Dronskowski","Hydrogen Bonding in the Crystal Structures of the Ionic Liquid Compounds Butyldimethylimidazolium Hydrogen Sulfate, Chloride, and Chloroferrate(II,III)","Inorganic Chemistry","2004","43","","2803","2809","10.1021/ic035237l","","","0.71073","MoKα","","0.12","0.0641","","","0.1352","0.157","","","","","","1.011","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310919","40.6","0.008","7.88","0.0016","18.49","0.004","90","","102.69","0.03","90","","5771","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-butyl-2,3-dimethylimidazolium chloroferrrate(II,III)","","- C18 H34 Cl6 Fe1.5 N4 -","- C18 H25 Cl6 Fe1.5 N4 -","- C144 H200 Cl48 Fe12 N32 -","8","1","","Philipp Kölle; Richard Dronskowski","Hydrogen Bonding in the Crystal Structures of the Ionic Liquid Compounds Butyldimethylimidazolium Hydrogen Sulfate, Chloride, and Chloroferrate(II,III)","Inorganic Chemistry","2004","43","","2803","2809","10.1021/ic035237l","","","0.71073","MoKα","","0.1102","0.056","","","0.1504","0.1897","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310920","13.602","0.003","10.525","0.002","17.336","0.004","90","","90","","90","","2481.8","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-butyl-2,3-dimethylimidazolium hydrogensulfate","","- C9 H17 N2 O4 S -","- C9 H18 N2 O4 S -","- C72 H144 N16 O32 S8 -","8","1","","Philipp Kölle; Richard Dronskowski","Hydrogen Bonding in the Crystal Structures of the Ionic Liquid Compounds Butyldimethylimidazolium Hydrogen Sulfate, Chloride, and Chloroferrate(II,III)","Inorganic Chemistry","2004","43","","2803","2809","10.1021/ic035237l","","","0.71073","MoKα","","0.0694","0.0541","","","0.1346","0.1451","","","","","","1.056","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310921","7.3216","0.0006","14.3986","0.0009","7.7437","0.0006","90","","100.179","0.007","90","","803.5","0.11","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ge16 Na9.592 O40 -","- Ge16 Na9.592 O40 -","- Ge16 Na9.592 O40 -","1","0.125","","Annemieke W. C. van den Berg; Govert Baak; Hendrikus van Koningsveld; Jacobus C. Jansen; Thomas Maschmeyer","Synthesis, Structural Characterization, and Thermal Stability of a New Layered Germanate Structure, Na4Ge16O28(OH)12","Inorganic Chemistry","2004","43","","2888","2894","10.1021/ic035272s","","","0.71073","MoKα","","0.09","0.069","","0.078","","0.078","","","5.151","","","5.689","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310922","8.8619","0.0018","12.5","0.003","17.408","0.004","90","","99.23","0.03","90","","1903.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs2 P2 S12 Ta2 -","- Cs2 P2 S12 Ta2 -","- Cs8 P8 S48 Ta8 -","4","1","","Andreas Gutzmann; Christian Näther; Wolfgang Bensch","Synthesis, Crystal Structures, and Optical Properties of Two New Layered Quaternary Tantalum Thiophosphates and the Thermal Conversion of Cs4Ta4P4S24 into Cs2Ta2P2S12","Inorganic Chemistry","2004","43","","2998","3004","10.1021/ic035273k","","","0.71073","MoKα","","0.0599","0.054","","","0.1412","0.1493","","","","","","1.024","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310923","14.298","0.003","17.73","0.004","16.058","0.003","90","","106.19","0.03","90","","3909.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs4 P4 S24 Ta4 -","- Cs4 P4 S24 Ta4 -","- Cs16 P16 S96 Ta16 -","4","1","","Andreas Gutzmann; Christian Näther; Wolfgang Bensch","Synthesis, Crystal Structures, and Optical Properties of Two New Layered Quaternary Tantalum Thiophosphates and the Thermal Conversion of Cs4Ta4P4S24 into Cs2Ta2P2S12","Inorganic Chemistry","2004","43","","2998","3004","10.1021/ic035273k","","","0.71073","MoKα","","0.0481","0.0352","","","0.0831","0.0891","","","","","","1.014","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310924","12.629","0.0005","8.2404","0.0003","21.1378","0.0009","90","","94.61","0.002","90","","2192.65","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu2 F2 N4 O3 -","- C24 H18 Cu2 F2 N4 O3 -","- C96 H72 Cu8 F8 N16 O12 -","4","1","","Yi-Chian Chou; Shu-Fei Huang; Rajesh Koner; Gene-Hsiang Lee; Yu Wang; Sasankasekhar Mohanta; Ho-Hsiang Wei","Ferromagnetic Exchange in Two Dicopper(II) Complexes Using a μ-Alkoxo-μ-7-azaindolate Bridge","Inorganic Chemistry","2004","43","","2759","2761","10.1021/ic035322t","","","0.71073","MoKα","","0.0847","0.0735","","","0.1522","0.1578","","","","","","1.088","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310925","8.4259","0.0005","10.5013","0.0007","13.0456","0.0008","86.839","0.001","80.266","0.001","89.923","0.001","1135.93","0.12","295","2","295","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H24 Cu2 N4 O4 -","- C25 H24 Cu2 N4 O4 -","- C50 H48 Cu4 N8 O8 -","2","2","","Yi-Chian Chou; Shu-Fei Huang; Rajesh Koner; Gene-Hsiang Lee; Yu Wang; Sasankasekhar Mohanta; Ho-Hsiang Wei","Ferromagnetic Exchange in Two Dicopper(II) Complexes Using a μ-Alkoxo-μ-7-azaindolate Bridge","Inorganic Chemistry","2004","43","","2759","2761","10.1021/ic035322t","","","0.71073","MoKα","","0.1098","0.0697","","","0.156","0.1801","","","","","","1.062","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310926","13.886","0.004","24.733","0.006","18.573","0.004","90","","104.74","0.02","90","","6169","3","228","2","228","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H86 N2 O5 P2 -","- C66 H86 N2 O5 P2 -","- C264 H344 N8 O20 P8 -","4","1","","Paul Sood; Mohan Koutha; Maomian Fan; Yaroslav Klichko; Hongming Zhang; Michael Lattman","Phosphorus-Based p-tert-Butylcalix[5]arene Ligands","Inorganic Chemistry","2004","43","","2975","2980","10.1021/ic035359d","","","0.71073","MoKα","","0.144","0.062","","","0.13","0.153","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310927","17.269","0.001","24.363","0.001","17.584","0.001","90","","109.621","0.005","90","","6968.5","0.7","228","2","228","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C81 H92 O5 P2 -","- C81 H92 O5 P2 -","- C324 H368 O20 P8 -","4","1","","Paul Sood; Mohan Koutha; Maomian Fan; Yaroslav Klichko; Hongming Zhang; Michael Lattman","Phosphorus-Based p-tert-Butylcalix[5]arene Ligands","Inorganic Chemistry","2004","43","","2975","2980","10.1021/ic035359d","","","0.71073","MoKα","","0.105","0.076","","","0.206","0.223","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310928","14.353","0.001","14.612","0.001","14.916","0.001","102.288","0.007","102.074","0.008","96.007","0.008","2952.3","0.4","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H74 Cl2 O5 P2 -","- C62 H74 Cl2 O5 P2 -","- C124 H148 Cl4 O10 P4 -","2","1","","Paul Sood; Mohan Koutha; Maomian Fan; Yaroslav Klichko; Hongming Zhang; Michael Lattman","Phosphorus-Based p-tert-Butylcalix[5]arene Ligands","Inorganic Chemistry","2004","43","","2975","2980","10.1021/ic035359d","","","0.71073","MoKα","","0.151","0.087","","","0.228","0.26","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310929","13.744","0.001","17.404","0.001","21.924","0.002","89.395","0.001","84.826","0.001","83.546","0.001","5189.8","0.7","473","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H145 O10 P2 -","- C120 H145 O10 P2 -","- C240 H290 O20 P4 -","2","1","","Paul Sood; Mohan Koutha; Maomian Fan; Yaroslav Klichko; Hongming Zhang; Michael Lattman","Phosphorus-Based p-tert-Butylcalix[5]arene Ligands","Inorganic Chemistry","2004","43","","2975","2980","10.1021/ic035359d","","","0.71073","MoKα","","0.125","0.083","","","0.187","0.208","","","","","","1.049","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310930","11.491","0.012","6.791","0.007","11.289","0.012","90","","90","","90","","880.9","1.6","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- K P Se6 -","- K P Se6 -","- K4 P4 Se24 -","4","1","","In Chung; Junghwan Do; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","APSe6 (A = K, Rb, and Cs): Polymeric Selenophosphates with Reversible Phase-Change Properties","Inorganic Chemistry","2004","43","","2762","2764","10.1021/ic035448q","","","0.71073","MoKα","","0.0476","0.0333","","","0.072","0.0771","","","","","","1.013","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310931","11.7764","0.0017","6.858","0.001","11.4596","0.0016","90","","90","","90","","925.5","0.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- P Rb Se6 -","- P Rb Se6 -","- P4 Rb4 Se24 -","4","1","","In Chung; Junghwan Do; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","APSe6 (A = K, Rb, and Cs): Polymeric Selenophosphates with Reversible Phase-Change Properties","Inorganic Chemistry","2004","43","","2762","2764","10.1021/ic035448q","","","0.71073","MoKα","","0.0351","0.0259","","","0.0499","0.0523","","","","","","0.977","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310932","6.877","0.003","12.713","0.004","11.242","0.004","90","","92.735","0.007","90","","981.7","0.6","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- Cs P Se6 -","- Cs P Se6 -","- Cs4 P4 Se24 -","4","1","","In Chung; Junghwan Do; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis","APSe6 (A = K, Rb, and Cs): Polymeric Selenophosphates with Reversible Phase-Change Properties","Inorganic Chemistry","2004","43","","2762","2764","10.1021/ic035448q","","","0.71073","MoKα","","0.0809","0.0381","","","0.0874","0.0992","","","","","","1.024","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310933","12.6987","0.0005","23.5481","0.001","21.5863","0.001","90","","94.353","0.001","90","","6436.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H96 Ag3 Cl3 N18 O12 P6 -","- C72 H192 Ag6 Cl6 N36 O24 P12 -","- C144 H384 Ag12 Cl12 N72 O48 P24 -","2","0.5","","Philip I. Richards; Alexander Steiner","Cyclophosphazenes as Nodal Ligands in Coordination Polymers","Inorganic Chemistry","2004","43","","2810","2817","10.1021/ic035455e","","","0.71073","MoKα","","0.0542","0.0379","","","0.0881","0.0927","","","","","","0.923","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310934","10.7287","0.0012","12.5147","0.0014","12.5578","0.0014","85.627","0.002","81.42","0.002","83.619","0.002","1653.8","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H48 Ag2 N11 O6 P3 -","- C18 H48 Ag2 N11 O6 P3 -","- C36 H96 Ag4 N22 O12 P6 -","2","2","","Philip I. Richards; Alexander Steiner","Cyclophosphazenes as Nodal Ligands in Coordination Polymers","Inorganic Chemistry","2004","43","","2810","2817","10.1021/ic035455e","","","0.71073","MoKα","","0.0818","0.0593","","","0.1528","0.1703","","","","","","1.041","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310935","12.61","0.003","19.257","0.005","19.014","0.005","90","","108.153","0.005","90","","4387.4","1.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 Ag Cl N9 O4 P3 -","- C36 H72 Ag Cl N9 O4 P3 -","- C144 H288 Ag4 Cl4 N36 O16 P12 -","4","1","","Philip I. Richards; Alexander Steiner","Cyclophosphazenes as Nodal Ligands in Coordination Polymers","Inorganic Chemistry","2004","43","","2810","2817","10.1021/ic035455e","","","0.71073","MoKα","","0.1348","0.072","","","0.1661","0.1802","","","","","","0.972","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310936","15.0948","0.0019","12.3782","0.0015","24.188","0.003","90","","91.925","0.002","90","","4516.9","1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Ag2 Cl2 N9 O8 P3 -","- C42 H48 Ag2 Cl2 N9 O8 P3 -","- C168 H192 Ag8 Cl8 N36 O32 P12 -","4","1","","Philip I. Richards; Alexander Steiner","Cyclophosphazenes as Nodal Ligands in Coordination Polymers","Inorganic Chemistry","2004","43","","2810","2817","10.1021/ic035455e","","","0.71073","MoKα","","0.0512","0.039","","","0.0956","0.0994","","","","","","1.003","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310937","15.021","0.002","12.4692","0.0019","23.851","0.004","90","","90.659","0.003","90","","4467","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Ag2 N11 O6 P3 -","- C42 H48 Ag2 N11 O6 P3 -","- C168 H192 Ag8 N44 O24 P12 -","4","1","","Philip I. Richards; Alexander Steiner","Cyclophosphazenes as Nodal Ligands in Coordination Polymers","Inorganic Chemistry","2004","43","","2810","2817","10.1021/ic035455e","","","0.71073","MoKα","","0.0657","0.046","","","0.1067","0.1142","","","","","","0.935","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310938","15.173","0.0008","12.4578","0.0007","24.0214","0.0013","90","","92.933","0.001","90","","4534.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Ag2 Cl N10 O7 P3 -","- C42 H48 Ag2 Cl N10 O7 P3 -","- C168 H192 Ag8 Cl4 N40 O28 P12 -","4","1","","Philip I. Richards; Alexander Steiner","Cyclophosphazenes as Nodal Ligands in Coordination Polymers","Inorganic Chemistry","2004","43","","2810","2817","10.1021/ic035455e","","","0.71073","MoKα","","0.0395","0.0351","","","0.0961","0.0989","","","","","","1.016","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310939","12.694","0.003","13.083","0.002","19.418","0.004","90","","90","","90","","3224.9","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 Ag Cl N9 O4 P3 -","- C24 H48 Ag Cl N9 O4 P3 -","- C96 H192 Ag4 Cl4 N36 O16 P12 -","4","1","","Philip I. Richards; Alexander Steiner","Cyclophosphazenes as Nodal Ligands in Coordination Polymers","Inorganic Chemistry","2004","43","","2810","2817","10.1021/ic035455e","","","0.71073","MoKα","","0.0421","0.032","","","0.0578","0.0596","","","","","","0.901","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310940","13.721","0.0002","20.684","0.0004","20.637","0.0002","90","","102.129","0.001","90","","5726.14","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Mn3 N14 O10 W -","- C56 H50 Mn3 N14 O10 W -","- C224 H200 Mn12 N56 O40 W4 -","4","1","","Paweł Przychodzeń; Krzysztof Lewiński; Maria Bałanda; Robert Pełka; Michał Rams; Tadeusz Wasiutyński; Carine Guyard-Duhayon; Barbara Sieklucka","Crystal Structures and Magnetic Properties of Two Low-Dimensional Materials Constructed from [MnIII(salen)H2O]+ and [M(CN)8]3-/4- (M = Mo or W) Precursors","Inorganic Chemistry","2004","43","","2967","2974","10.1021/ic035464n","","","0.7107","MoKα","","0.0438","0.0293","","","0.0641","0.0711","","","","","","1.022","","","","has coordinates","288183","2023-12-08","14:42:55",""
"4310941","18.428","0.004","18.521","0.003","18.567","0.004","94.79","0.02","119.23","0.01","107.861","0.016","5052","2","295","","295","","","","","","","","?","7","P -1","-P 1","2","","","","- C88 H89.5 Cl0.5 Mn5 Mo N18 O22 -","- C88 H70 Cl0.5 Mn5 Mo N18 O22 -","- C176 H140 Cl Mn10 Mo2 N36 O44 -","2","1","","Paweł Przychodzeń; Krzysztof Lewiński; Maria Bałanda; Robert Pełka; Michał Rams; Tadeusz Wasiutyński; Carine Guyard-Duhayon; Barbara Sieklucka","Crystal Structures and Magnetic Properties of Two Low-Dimensional Materials Constructed from [MnIII(salen)H2O]+ and [M(CN)8]3-/4- (M = Mo or W) Precursors","Inorganic Chemistry","2004","43","","2967","2974","10.1021/ic035464n","","","0.71073","MoKα","","0.1447","0.0866","","0.147","0.0954","0.0954","","","","","","1.0825","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310942","21.47","0.004","21.508","0.005","20.3051","0.0017","93.678","0.01","93.388","0.011","85.662","0.013","9316","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H100 Cl4 Cu6 N16 O28 -","- C56 H100 Cl4 Cu6 N16 O28 -","- C224 H400 Cl16 Cu24 N64 O112 -","4","2","","Emilio Pardo; Kevin Bernot; Miguel Julve; Francesc Lloret; Joan Cano; Rafael Ruiz-García; Fernando S. Delgado; Catalina Ruiz-Pérez; Xavier Ottenwaelder; Yves Journaux","Spin Control in Ladderlike Hexanuclear Copper(II) Complexes with Metallacyclophane Cores","Inorganic Chemistry","2004","43","","2768","2770","10.1021/ic049875v","","","0.71069","MoKα","","0.2658","0.183","","","0.3987","0.4377","","","","","","1.031","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310943","10.6846","0.0004","12.6603","0.0005","12.9849","0.0003","90","","96.761","0.002","90","","1744.26","0.1","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Cl11 N2 P3 -","- C H2 Cl11 N2 P3 -","- C4 H8 Cl44 N8 P12 -","4","1","","Eric Rivard; Alan J. Lough; Ian Manners","A New, Convenient Synthesis of the Linear Phosphazene Salt [Cl3PNPCl3]Cl: Preparation of Higher Linear Homologues [Cl3PN-(PCl2N)xPCl3]Cl (x= 1-3) and the 16-Membered Macrocycle [NCCl(NPCl2)3]2","Inorganic Chemistry","2004","43","","2765","2767","10.1021/ic049955z","","","0.71073","MoKα","","0.0527","0.0338","","","0.0748","0.0826","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310944","10.5679","0.0002","12.7427","0.0002","10.3853","0.0002","90","","111.11","0.001","90","","1304.67","0.04","150","1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 Cl14 N8 P6 -","- C2 Cl14 N8 P6 -","- C4 Cl28 N16 P12 -","2","0.5","","Eric Rivard; Alan J. Lough; Ian Manners","A New, Convenient Synthesis of the Linear Phosphazene Salt [Cl3PNPCl3]Cl: Preparation of Higher Linear Homologues [Cl3PN-(PCl2N)xPCl3]Cl (x= 1-3) and the 16-Membered Macrocycle [NCCl(NPCl2)3]2","Inorganic Chemistry","2004","43","","2765","2767","10.1021/ic049955z","","","0.71073","MoKα","","0.03","0.0252","","","0.0568","0.0591","","","","","","1.099","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310945","14.9781","0.0006","11.2624","0.0008","14.9417","0.001","90","","115.594","0.003","90","","2273.2","0.2","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C0.5 H Cl12 N3 P4 -","- Cl11 N3 P4 -","- Cl44 N12 P16 -","4","1","","Eric Rivard; Alan J. Lough; Ian Manners","A New, Convenient Synthesis of the Linear Phosphazene Salt [Cl3PNPCl3]Cl: Preparation of Higher Linear Homologues [Cl3PN-(PCl2N)xPCl3]Cl (x= 1-3) and the 16-Membered Macrocycle [NCCl(NPCl2)3]2","Inorganic Chemistry","2004","43","","2765","2767","10.1021/ic049955z","","","0.71073","MoKα","","0.1607","0.109","","","0.2732","0.2917","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310946","15.197","0.014","16.435","0.014","24.33","0.02","90","","90","","90","","6077","9","120","2","120","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C60 H50 Cl4 N5 O13 P4 Pr -","- C60 H50 Cl4 N5 O13 P4 Pr -","- C240 H200 Cl16 N20 O52 P16 Pr4 -","4","1","","Zdenek Spichal; Marek Necas; Jiri Pinkas; Josef Novosad","The Synthesis and Crystal Structures of Two-Dimensional Coordination Polymers of Ph2P(O)-CH2CH2-P(O)Ph2 and Ph2P(O)-C5H3N-P(O)Ph2 with Praseodymium","Inorganic Chemistry","2004","43","","2776","2778","10.1021/ic0499648","","","0.71073","MoKα","","0.0554","0.0428","","","0.0923","0.0971","","","","","","0.976","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310947","13.022","0.002","19.989","0.004","16.747","0.004","90","","108.376","0.018","90","","4136.9","1.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 N3 O12 P3 Pr -","- C39 H36 N3 O12 P3 Pr -","- C156 H144 N12 O48 P12 Pr4 -","4","1","","Zdenek Spichal; Marek Necas; Jiri Pinkas; Josef Novosad","The Synthesis and Crystal Structures of Two-Dimensional Coordination Polymers of Ph2P(O)-CH2CH2-P(O)Ph2 and Ph2P(O)-C5H3N-P(O)Ph2 with Praseodymium","Inorganic Chemistry","2004","43","","2776","2778","10.1021/ic0499648","","","0.71073","MoKα","","0.0361","0.033","","","0.0871","0.089","","","","","","1.089","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310948","10.175","0.0015","23.97","0.004","10.1692","0.0015","90","","90.095","0.002","90","","2480.2","0.7","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Barium thioborate","","","- B4 Ba7 S13 -","- B4 Ba7 S13 -","- B16 Ba28 S52 -","4","0.5","","Youngsik Kim; Steve W. Martin","Synthesis and Crystal Structure of Barium Thioborate Ba7(BS3)4S","Inorganic Chemistry","2004","43","","2773","2775","10.1021/ic035454m","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","208247","2020-10-21","18:00:00",""
"4310949","13.015","0.002","13.015","0.002","9.03","0.002","90","","90","","120","","1324.7","0.4","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Y7+xOs12Al61+y","","- Al61.51 Os12 Y7.86 -","- Al61.694 Os12 Y7.8712 -","- Al61.694 Os12 Y7.8712 -","1","0.0416667","","Jens Niermann; Wolfgang Jeitschko","Ternary Rare Earth Osmium Aluminides R7+xOs12Al61+y Belonging to a Structural Family with Layered Topology","Inorganic Chemistry","2004","43","","3264","3270","10.1021/ic0303035","","","0.71073","MoKα","","0.1166","0.0354","","","0.1268","0.146","","","","","","1.103","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310950","14.3764","0.0016","15.9241","0.0012","14.1357","0.0013","90","","92.756","0.002","90","","3232.4","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Ni P2 S2 -","- C38 H34 Ni P2 S2 -","- C152 H136 Ni4 P8 S8 -","4","0.5","","Valerie Autissier; William Clegg; Ross W. Harrington; Richard A. Henderson","Proton Transfer to Nickel-Thiolate Complexes. 1. Protonation of [Ni(SC6H4R-4)2(Ph2PCH2CH2PPh2)] (R = Me, MeO, H, Cl, or NO2)","Inorganic Chemistry","2004","43","","3098","3105","10.1021/ic030322e","","","0.71073","MoKα","","0.0541","0.0456","","","0.1199","0.1287","","","","","","1.059","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310951","11.4276","0.0006","17.6539","0.0009","17.2914","0.0008","90","","100.337","0.001","90","","3431.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Ni P2 S2 -","- C40 H38 Ni P2 S2 -","- C160 H152 Ni4 P8 S8 -","4","1","","Valerie Autissier; William Clegg; Ross W. Harrington; Richard A. Henderson","Proton Transfer to Nickel-Thiolate Complexes. 1. Protonation of [Ni(SC6H4R-4)2(Ph2PCH2CH2PPh2)] (R = Me, MeO, H, Cl, or NO2)","Inorganic Chemistry","2004","43","","3098","3105","10.1021/ic030322e","","","0.71073","MoKα","","0.0742","0.0388","","","0.0756","0.089","","","","","","1.091","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310952","13.6352","0.0007","16.5127","0.0008","18.9762","0.001","65.255","0.001","75.748","0.001","71.427","0.001","3646.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H65 Cl5 Ni2 P4 S4 -","- C76.5 H64 Cl5 Ni2 P4 S4 -","- C153 H128 Cl10 Ni4 P8 S8 -","2","1","","Valerie Autissier; William Clegg; Ross W. Harrington; Richard A. Henderson","Proton Transfer to Nickel-Thiolate Complexes. 1. Protonation of [Ni(SC6H4R-4)2(Ph2PCH2CH2PPh2)] (R = Me, MeO, H, Cl, or NO2)","Inorganic Chemistry","2004","43","","3098","3105","10.1021/ic030322e","","","0.71073","MoKα","","0.0735","0.0482","","","0.1165","0.1322","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310953","11.5726","0.0005","14.5465","0.0006","19.0208","0.0008","76.816","0.002","84.394","0.002","68.235","0.002","2895","0.2","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H68 B Ni O P3 S -","- C69 H60 B Ni O P3 S -","- C138 H120 B2 Ni2 O2 P6 S2 -","2","1","","Valerie Autissier; Pedro Martin Zarza; Athinoula Petrou; Richard A. Henderson; Ross W. Harrington; William C. Clegg","Proton Transfer to Nickel-Thiolate Complexes. 2. Rate-Limiting Intramolecular Proton Transfer in the Reactions of [Ni(SC6H4R-4)(PhP{CH2CH2PPh2}2)]+ (R = NO2, Cl, H, Me, or MeO)","Inorganic Chemistry","2004","43","","3106","3115","10.1021/ic0303237","","","0.71073","MoKα","","0.0516","0.0407","","","0.103","0.1099","","","","","","1.036","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310954","11.506","0.0006","14.4698","0.0007","19.4916","0.001","74.03","0.002","84.61","0.002","67.813","0.002","2888.7","0.3","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H60 B Ni O P3 S -","- C65 H60 B Ni O P3 S -","- C130 H120 B2 Ni2 O2 P6 S2 -","2","1","","Valerie Autissier; Pedro Martin Zarza; Athinoula Petrou; Richard A. Henderson; Ross W. Harrington; William C. Clegg","Proton Transfer to Nickel-Thiolate Complexes. 2. Rate-Limiting Intramolecular Proton Transfer in the Reactions of [Ni(SC6H4R-4)(PhP{CH2CH2PPh2}2)]+ (R = NO2, Cl, H, Me, or MeO)","Inorganic Chemistry","2004","43","","3106","3115","10.1021/ic0303237","","","0.71073","MoKα","","0.0817","0.0565","","","0.1512","0.1654","","","","","","1.074","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310955","13.6285","0.0006","14.2556","0.0006","16.8955","0.0007","100.676","0.002","100.032","0.002","114.412","0.002","2819.6","0.2","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H65 B N Ni O3 P3 S -","- C68 H57 B N Ni O3 P3 S -","- C136 H114 B2 N2 Ni2 O6 P6 S2 -","2","1","","Valerie Autissier; Pedro Martin Zarza; Athinoula Petrou; Richard A. Henderson; Ross W. Harrington; William C. Clegg","Proton Transfer to Nickel-Thiolate Complexes. 2. Rate-Limiting Intramolecular Proton Transfer in the Reactions of [Ni(SC6H4R-4)(PhP{CH2CH2PPh2}2)]+ (R = NO2, Cl, H, Me, or MeO)","Inorganic Chemistry","2004","43","","3106","3115","10.1021/ic0303237","","","0.71073","MoKα","","0.051","0.0414","","","0.1075","0.1136","","","","","","1.042","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310956","12.3581","0.0011","14.4506","0.0013","17.4416","0.0015","79.922","0.001","69.366","0.001","66.256","0.001","2666.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H60 B Ni P3 S -","- C65 H60 B Ni P3 S -","- C130 H120 B2 Ni2 P6 S2 -","2","1","","Valerie Autissier; Pedro Martin Zarza; Athinoula Petrou; Richard A. Henderson; Ross W. Harrington; William C. Clegg","Proton Transfer to Nickel-Thiolate Complexes. 2. Rate-Limiting Intramolecular Proton Transfer in the Reactions of [Ni(SC6H4R-4)(PhP{CH2CH2PPh2}2)]+ (R = NO2, Cl, H, Me, or MeO)","Inorganic Chemistry","2004","43","","3106","3115","10.1021/ic0303237","","","0.71073","MoKα","","0.0843","0.0567","","","0.138","0.159","","","","","","1.022","","","","has coordinates","288183","2023-12-08","14:42:55",""
"4310957","8.5009","0.0005","11.1068","0.0006","20.8409","0.0012","92.395","0.001","94.699","0.001","107.529","0.001","1865.49","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Catena[tetrakis(mu2-trifluoroacetato-O,O')-di-rhodium(II)- (mu2-O-acetone)-tetrakis(mu2-trifluoroacetato-O,O')-tetra-copper(I)]","","- C19 H6 Cu4 F24 O17 Rh2 -","- C19 H6 Cu4 F24 O17 Rh2 -","- C38 H12 Cu8 F48 O34 Rh4 -","2","1","","Evgeny V. Dikarev; Kristian W. Andreini; Marina A. Petrukhina","On the Road to a Termolecular Complex with Acetone: A Heterometallic Supramolecular Network {[Rh2(O2CCF3)4].μ2-OCMe2.[Cu4(O2CCF3)4]}","Inorganic Chemistry","2004","43","","3219","3224","10.1021/ic030340w","","","0.71073","MoKα","","0.0264","0.0246","","","0.0634","0.0645","","","","","","1.032","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310958","8.7596","0.0005","8.988","0.003","15.1591","0.0009","90","","96.82","0.009","90","","1185.1","0.4","213","2","213","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)- bis(acetone-O)","","- C14 H12 F12 O10 Rh2 -","- C14 H12 F12 O10 Rh2 -","- C28 H24 F24 O20 Rh4 -","2","0.5","","Evgeny V. Dikarev; Kristian W. Andreini; Marina A. Petrukhina","On the Road to a Termolecular Complex with Acetone: A Heterometallic Supramolecular Network {[Rh2(O2CCF3)4].μ2-OCMe2.[Cu4(O2CCF3)4]}","Inorganic Chemistry","2004","43","","3219","3224","10.1021/ic030340w","","","0.71073","MoKα","","0.041","0.038","","0.0971","0.0931","","","","1.074","1.072","1.072","","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310959","9.167","0.001","8.7782","0.0005","25.642","0.004","90","","95.09","0.01","90","","2055.3","0.4","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis((tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)- acetone-O)","","- C11 H6 F12 O9 Rh2 -","- C11 H6 F12 O9 Rh2 -","- C44 H24 F48 O36 Rh8 -","4","1","","Evgeny V. Dikarev; Kristian W. Andreini; Marina A. Petrukhina","On the Road to a Termolecular Complex with Acetone: A Heterometallic Supramolecular Network {[Rh2(O2CCF3)4].μ2-OCMe2.[Cu4(O2CCF3)4]}","Inorganic Chemistry","2004","43","","3219","3224","10.1021/ic030340w","","","0.71073","MoKα","","0.0815","0.0646","","","0.1517","0.1647","","","","","","1.091","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310960","17.789","0.0007","8.6834","0.0004","26.3947","0.0011","90","","104.546","0.001","90","","3946.5","0.3","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis((tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)- acetone-O)","","- C22 H12 F24 O18 Rh4 -","- C22 H12 F24 O18 Rh4 -","- C88 H48 F96 O72 Rh16 -","4","1","","Evgeny V. Dikarev; Kristian W. Andreini; Marina A. Petrukhina","On the Road to a Termolecular Complex with Acetone: A Heterometallic Supramolecular Network {[Rh2(O2CCF3)4].μ2-OCMe2.[Cu4(O2CCF3)4]}","Inorganic Chemistry","2004","43","","3219","3224","10.1021/ic030340w","","","0.71073","MoKα","","0.0692","0.0514","","","0.1117","0.1196","","","","","","1.066","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310961","24.424","0.022","10.473","0.005","18.653","0.011","90","","136.67","0.06","90","","3274","5","191","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 N2 O4 Zn2 -","- C15 H23 N O2 Zn -","- C120 H184 N8 O16 Zn8 -","8","1","","Eva Schön; Dietmar A. Plattner; Peter Chen","Defect-Induced Acceleration of a Solid-State Chemical Reaction in Zinc Alkoxide Single Crystals","Inorganic Chemistry","2004","43","","3164","3169","10.1021/ic030341o","","","0.71069","MoKα","","0.0306","0.0238","","0.0654","0.0606","","","","1.09","1.112","1.112","","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310962","24.527","0.007","10.56","0.003","16.872","0.004","90","","130.39","0.02","90","","3328.4","1.8","266","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 N2 O4 Zn2 -","- C15 H23 N O2 Zn -","- C120 H184 N8 O16 Zn8 -","8","1","","Eva Schön; Dietmar A. Plattner; Peter Chen","Defect-Induced Acceleration of a Solid-State Chemical Reaction in Zinc Alkoxide Single Crystals","Inorganic Chemistry","2004","43","","3164","3169","10.1021/ic030341o","","","0.71069","MoKα","","0.0377","0.0251","","0.0719","0.0627","","","","1.081","1.094","1.094","","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310963","24.046","0.005","11.003","0.019","17.46","0.013","90","","107.64","0.04","90","","4402","8","161","","161","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 N2 O4 Zn2 -","- C22 H31 N O2 Zn -","- C176 H248 N8 O16 Zn8 -","8","1","","Eva Schön; Dietmar A. Plattner; Peter Chen","Defect-Induced Acceleration of a Solid-State Chemical Reaction in Zinc Alkoxide Single Crystals","Inorganic Chemistry","2004","43","","3164","3169","10.1021/ic030341o","","","0.71069","MoKα","","0.056","0.0367","","0.2176","0.1063","","","","1.087","1.045","1.045","","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310964","14.141","0.003","18.732","0.011","14.183","0.005","90","","101.26","0.02","90","","3685","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 N2 O5 Zn2 -","- C34 H54 N2 O5 Zn2 -","- C136 H216 N8 O20 Zn8 -","4","1","","Eva Schön; Dietmar A. Plattner; Peter Chen","Defect-Induced Acceleration of a Solid-State Chemical Reaction in Zinc Alkoxide Single Crystals","Inorganic Chemistry","2004","43","","3164","3169","10.1021/ic030341o","","","1.54184","CuKα","","0.0918","0.0487","","","0.1573","0.1233","","","","","","1.07","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310965","9.31","0.02","19.27","0.03","23.3","0.02","90","","86.63","0.03","90","","4173","12","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 N2 O5 Zn2 -","- C38 H62 N2 O5 Zn2 -","- C152 H248 N8 O20 Zn8 -","4","1","","Eva Schön; Dietmar A. Plattner; Peter Chen","Defect-Induced Acceleration of a Solid-State Chemical Reaction in Zinc Alkoxide Single Crystals","Inorganic Chemistry","2004","43","","3164","3169","10.1021/ic030341o","","","0.71069","MoKα","","0.092","0.0487","","","0.1474","0.1704","","","","","","1.271","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310966","12.316","0.005","15.465","0.006","19.749","0.008","90","","92.55","0.03","90","","3758","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H24 N2 O4 Zn -","- C17.5 H24 N2 O4 Zn -","- C140 H192 N16 O32 Zn8 -","8","1","","Eva Schön; Dietmar A. Plattner; Peter Chen","Defect-Induced Acceleration of a Solid-State Chemical Reaction in Zinc Alkoxide Single Crystals","Inorganic Chemistry","2004","43","","3164","3169","10.1021/ic030341o","","","0.71069","MoKα","","0.0649","0.0437","","0.2301","0.1271","","","","1.123","1.057","1.057","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310967","15.1","0.02","14.89","0.02","11.94","0.02","90","","96.39","0.11","90","","2668","7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N2 O2 Zn -","- C29 H36 N2 O2 Zn -","- C116 H144 N8 O8 Zn4 -","4","1","","Eva Schön; Dietmar A. Plattner; Peter Chen","Defect-Induced Acceleration of a Solid-State Chemical Reaction in Zinc Alkoxide Single Crystals","Inorganic Chemistry","2004","43","","3164","3169","10.1021/ic030341o","","","1.54184","CuKα","","0.2202","0.1635","","","0.384","0.4626","","","","","","3.595","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310968","11.4175","0.0012","17.7558","0.0019","23.465","0.003","90.565","0.002","92.498","0.002","94.076","0.002","4740","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H108 Ag2 B2 F8 N4 P6 -","- C98 H102 Ag2 B2 F8 N4 P6 -","- C196 H204 Ag4 B4 F16 N8 P12 -","2","1","","Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey","Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands","Inorganic Chemistry","2004","43","","3127","3135","10.1021/ic034806m","","","0.71073","MoKα","","0.0879","0.0582","","","0.1901","0.2092","","","","","","1.056","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310969","21.65","","13.315","","23.352","","90","","115.96","","90","","6052.45","","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H80 Ag2 Cl2 N4 O8 P2 -","- C60 H62 Ag2 Cl2 N2 O8 P4 -","- C240 H248 Ag8 Cl8 N8 O32 P16 -","4","1","","Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey","Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands","Inorganic Chemistry","2004","43","","3127","3135","10.1021/ic034806m","","","0.7093","","","0.2167","0.0918","","","0.1989","0.2478","","","","","","0.903","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310970","8.7574","0.0009","14.839","0.0016","16.7222","0.0018","86.462","0.002","77.099","0.002","73.17","0.002","2027.5","0.4","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H48 Ag B F4 N2 P2 -","- C39 H48 Ag B F4 N2 P2 -","- C78 H96 Ag2 B2 F8 N4 P4 -","2","2","","Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey","Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands","Inorganic Chemistry","2004","43","","3127","3135","10.1021/ic034806m","","","0.71073","MoKα","","0.0415","0.0402","","","0.1053","0.1068","","","","","","1.036","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310971","13.1321","0.0019","13.3093","0.0018","13.4611","0.0016","103.78","0.012","107.349","0.011","115.764","0.011","1828","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H80 Ag2 Cl2 N4 O8 P4 -","- C74 H80 Ag2 Cl2 N4 O8 P4 -","- C74 H80 Ag2 Cl2 N4 O8 P4 -","1","0.5","","Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey","Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands","Inorganic Chemistry","2004","43","","3127","3135","10.1021/ic034806m","","","1.5406","","","0.0625","0.0484","","","0.1542","0.2051","","","","","","1.062","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4310972","20.395","0.003","15.287","0.002","21.022","0.004","90","","92.347","0.014","90","","6548.7","1.8","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C65 H71 B2 Cu2 F8 N3 P4 -","- C65 H71 B2 Cu2 F8 N3 P4 -","- C260 H284 B8 Cu8 F32 N12 P16 -","4","1","","Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey","Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands","Inorganic Chemistry","2004","43","","3127","3135","10.1021/ic034806m","","","1.5406","","","0.0822","0.0669","","","0.1997","0.2159","","","","","","1.051","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4310973","11.147","0.0013","18.423","0.002","16.169","0.002","90","","91.619","0.002","90","","3319.2","0.7","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H43.5 Ag B F4 N P2 -","- C34 H34.5 Ag B F4 N P2 -","- C136 H138 Ag4 B4 F16 N4 P8 -","4","2","","Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey","Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands","Inorganic Chemistry","2004","43","","3127","3135","10.1021/ic034806m","","","0.71073","MoKα","","0.0618","0.0593","","","0.1571","0.1583","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310974","10.92","0.001","10.92","0.001","10.92","0.001","90","","90","","90","","1302.2","0.2","293","2","293","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide iodide","","- Br2.35 I5.65 P19.2 Sn24 -","- Br2.338 I5.65 P19.156 Sn24 -","- Br2.338 I5.65 P19.156 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0402","0.0275","","","0.0411","0.0445","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310975","10.911","0.001","10.911","0.001","10.911","0.001","90","","90","","90","","1299","0.2","293","2","293","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide iodide","","- Br3.14 I4.86 P19.11 Sn24 -","- Br3.15 I4.862 P19.108 Sn24 -","- Br3.15 I4.862 P19.108 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0284","0.0211","","","0.0372","0.0385","","","","","","1.131","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310976","10.886","0.001","10.886","0.001","10.886","0.001","90","","90","","90","","1290","0.2","293","2","293","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide iodide","","- Br4.62 I3.38 P19.22 Sn24 -","- Br4.7 I3.326 P19.162 Sn24 -","- Br4.7 I3.326 P19.162 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0292","0.0274","","","0.049","0.0495","","","","","","1.311","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310977","10.844","0.001","10.844","0.001","10.844","0.001","90","","90","","90","","1275.2","0.2","293","2","293","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide iodide","","- Br6.05 I1.95 P19.1 Sn24 -","- Br6.06 I1.94 P19.114 Sn24 -","- Br6.06 I1.94 P19.114 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.06","0.0386","","","0.0629","0.0687","","","","","","1.179","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310978","10.8123","0.0002","10.8123","0.0002","10.8123","0.0002","90","","90","","90","","1264.02","0.04","263","2","263","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0368","0.0368","","","0.0822","0.0822","","","","","","1.593","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310979","10.8108","0.0002","10.8108","0.0002","10.8108","0.0002","90","","90","","90","","1263.49","0.04","253","2","253","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0366","0.0366","","","0.0821","0.0821","","","","","","1.582","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310980","10.8098","0.0007","10.8098","0.0007","10.8098","0.0007","90","","90","","90","","1263.14","0.14","243","2","243","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br0.5 P1.23 Sn1.5 -","- Br0.5 P1.22275 Sn1.5 -","- Br8 P19.564 Sn24 -","16","0.333333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0374","0.0374","","","0.0833","0.0833","","","","","","1.597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310981","10.8074","0.0002","10.8074","0.0002","10.8074","0.0002","90","","90","","90","","1262.3","0.04","228","2","228","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0366","0.0366","","","0.0839","0.0839","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310982","10.8067","0.0002","10.8067","0.0002","10.8067","0.0002","90","","90","","90","","1262.06","0.04","218","2","218","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.576 Sn24 -","- Br8 P19.576 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0372","0.0372","","","0.084","0.084","","","","","","1.597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310983","10.806","0.0002","10.806","0.0002","10.806","0.0002","90","","90","","90","","1261.81","0.04","213","2","213","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0384","0.0384","","","0.0863","0.0863","","","","","","1.592","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310984","10.8027","0.0002","10.8027","0.0002","10.8027","0.0002","90","","90","","90","","1260.66","0.04","193","2","193","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0369","0.0369","","","0.0835","0.0835","","","","","","1.575","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310985","10.8004","0.0002","10.8004","0.0002","10.8004","0.0002","90","","90","","90","","1259.85","0.04","173","2","173","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","- Br8 P19.6 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0386","0.0386","","","0.0865","0.0865","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310986","10.7987","0.0002","10.7987","0.0002","10.7987","0.0002","90","","90","","90","","1259.26","0.04","153","2","153","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.54 Sn24 -","- Br8 P19.54 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0374","0.0374","","","0.0862","0.0862","","","","","","1.592","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310987","10.7967","0.0002","10.7967","0.0002","10.7967","0.0002","90","","90","","90","","1258.56","0.04","133","2","133","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.54 Sn24 -","- Br8 P19.54 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0373","0.0373","","","0.0862","0.0862","","","","","","1.586","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310988","10.7945","0.0002","10.7945","0.0002","10.7945","0.0002","90","","90","","90","","1257.79","0.04","113","2","113","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.54 Sn24 -","- Br8 P19.54 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0372","0.0372","","","0.0868","0.0868","","","","","","1.584","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310989","10.79","0.0002","10.79","0.0002","10.79","0.0002","90","","90","","90","","1256.22","0.04","90","2","90","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","tin phosphide bromide","","- Br8 P19.6 Sn24 -","- Br8 P19.576 Sn24 -","- Br8 P19.576 Sn24 -","1","0.0208333","","Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov","Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material","Inorganic Chemistry","2004","43","","3230","3236","10.1021/ic035097f","","","0.71073","MoKα","","0.0338","0.0338","","","0.0788","0.0788","","","","","","1.559","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310990","14.6353","0.0007","4.1454","0.0002","30.3184","0.0015","90","","90","","90","","1839.39","0.15","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H24 Cd N2 S4 -","- C12 H24 Cd N2 S4 -","- C48 H96 Cd4 N8 S16 -","4","1","","Laura H. van Poppel; Thomas L. Groy; M. Tyler Caudle","Carbon-Sulfur Bond Cleavage in Bis(N-alkyldithiocarbamato)cadmium(II) Complexes: Heterolytic Desulfurization Coupled to Topochemical Proton Transfer","Inorganic Chemistry","2004","43","","3180","3188","10.1021/ic035135v","","","0.71073","MoKα","","0.064","0.0611","","","0.1439","0.1457","","","","","","1.198","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310991","14.145","0.003","11.361","0.002","21.047","0.004","90","","91.98","0.03","90","","3380.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H54 N6 O26 S2 V -","- C12 H54 N6 O26 S2 V -","- C48 H216 N24 O104 S8 V4 -","4","1","","Bernd Morgenstern; Stefan Steinhauser; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera; Daniele Sanna; László Nagy","Complex Formation of Vanadium(IV) with 1,3,5-Triamino-1,3,5-trideoxy-cis-inositol and Related Ligands","Inorganic Chemistry","2004","43","","3116","3126","10.1021/ic0352046","","","0.71073","MoKα","","0.0449","0.036","","","0.0946","0.1034","","","","","","1.096","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4310992","13.72","0.003","14.309","0.003","14.43","0.003","90","","108.4","0.03","90","","2688.1","1.1","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C24 H83 N6 O32.5 V5 -","- C24 H64 N6 O32.52 V5 -","- C48 H128 N12 O65.04 V10 -","2","0.25","","Bernd Morgenstern; Stefan Steinhauser; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera; Daniele Sanna; László Nagy","Complex Formation of Vanadium(IV) with 1,3,5-Triamino-1,3,5-trideoxy-cis-inositol and Related Ligands","Inorganic Chemistry","2004","43","","3116","3126","10.1021/ic0352046","","","0.71073","MoKα","","0.0636","0.0542","","","0.1688","0.1814","","","","","","1.194","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4310993","17.371","0.004","17.371","0.004","13.077","0.008","90","","90","","120","","3417","2","215","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H83 Cl3 N6 O21 V -","- C24 H72 Cl3 N6 O21 V -","- C72 H216 Cl9 N18 O63 V3 -","3","0.166667","","Bernd Morgenstern; Stefan Steinhauser; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera; Daniele Sanna; László Nagy","Complex Formation of Vanadium(IV) with 1,3,5-Triamino-1,3,5-trideoxy-cis-inositol and Related Ligands","Inorganic Chemistry","2004","43","","3116","3126","10.1021/ic0352046","","","0.71073","MoKα","","0.1028","0.06","","","0.1541","0.174","","","","","","0.923","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4310994","19.391","0.003","19.391","0.003","26.708","0.005","90","","90","","120","","8697","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C57 H51 Al Bi2 O24 -","- C57 H51 Al Bi2 O24 -","- C342 H306 Al6 Bi12 O144 -","6","0.333333","","John H. Thurston; Daniel Trahan; Teyeb Ould-Ely; Kenton H. Whitmire","Toward a General Strategy for the Synthesis of Heterobimetallic Coordination Complexes for Use as Precursors to Metal Oxide Materials: Synthesis, Characterization, and Thermal Decomposition of Bi2(Hsal)6.M(Acac)3 (M = Al, Co, V, Fe, Cr)","Inorganic Chemistry","2004","43","","3299","3305","10.1021/ic035284d","","","0.71073","MoKα","","0.1302","0.1058","","","0.3079","0.3234","","","","","","1.149","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310995","23.534","0.009","11.315","0.004","15.428","0.006","90","","124.896","0.005","90","","3370","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 N4 O2 Si4 U -","- C26 H46 N4 O2 Si4 U -","- C104 H184 N16 O8 Si16 U4 -","4","0.5","","Mark J. Sarsfield; Madeleine Helliwell; James Raftery","Distorted Equatorial Coordination Environments and Weakening of UO Bonds in Uranyl Complexes Containing NCN and NPN Ligands","Inorganic Chemistry","2004","43","","3170","3179","10.1021/ic035349c","","","0.71073","MoKα","","0.0735","0.0599","","","0.1306","0.1348","","","","","","0.978","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4310996","16.717","0.004","13.625","0.003","21.017","0.005","90","","93.519","0.005","90","","4778","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H60 N4 O2 P2 Si4 U -","- C39.5 H56 N4 O2 P2 Si4 U -","- C158 H224 N16 O8 P8 Si16 U4 -","4","1","","Mark J. Sarsfield; Madeleine Helliwell; James Raftery","Distorted Equatorial Coordination Environments and Weakening of UO Bonds in Uranyl Complexes Containing NCN and NPN Ligands","Inorganic Chemistry","2004","43","","3170","3179","10.1021/ic035349c","","","0.71073","MoKα","","0.0522","0.0385","","","0.089","0.096","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310997","14.344","0.006","20.471","0.008","21.209","0.008","90","","99.386","0.007","90","","6144","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H87.5 N6.5 Na O4 Si6 U -","- C50.5 H87.5 N6.5 Na O4 Si6 U -","- C202 H350 N26 Na4 O16 Si24 U4 -","4","1","","Mark J. Sarsfield; Madeleine Helliwell; James Raftery","Distorted Equatorial Coordination Environments and Weakening of UO Bonds in Uranyl Complexes Containing NCN and NPN Ligands","Inorganic Chemistry","2004","43","","3170","3179","10.1021/ic035349c","","","0.71073","MoKα","","0.0616","0.0439","","","0.1009","0.1088","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310998","31.242","0.009","37.329","0.009","24.428","0.006","90","","106.561","0.006","90","","27307","12","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H108 N8 Na2 O7 Si8 U2 -","- C60 H108 N8 Na2 O7 Si8 U2 -","- C720 H1296 N96 Na24 O84 Si96 U24 -","12","1.5","","Mark J. Sarsfield; Madeleine Helliwell; James Raftery","Distorted Equatorial Coordination Environments and Weakening of UO Bonds in Uranyl Complexes Containing NCN and NPN Ligands","Inorganic Chemistry","2004","43","","3170","3179","10.1021/ic035349c","","","0.71073","MoKα","","0.1269","0.0725","","","0.1902","0.2092","","","","","","0.986","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4310999","23.4805","0.001","10.1588","0.001","23.0055","0.001","90","","105.63","","90","","5284.7","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","MIL84","","","- C112 H80 N16 O128 P16 Pr16 -","- C112 H80 N16 O128 P16 Pr16 -","- C112 H80 N16 O128 P16 Pr16 -","1","0.25","","Christian Serre; Norbert Stock; Thomas Bein; Gérard Férey","Synthesis and Characterization of a New Three-Dimensional Lanthanide Carboxyphosphonate: Ln4(H2O)7[O2C-C5H10N-CH2-PO3]4(H2O)5","Inorganic Chemistry","2004","43","","3159","3163","10.1021/ic035363p","","","0.71073","MoKα","","0.0681","0.0476","","","0.0913","0.0983","","","","","","1.127","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4311000","17.9294","0.001","16.9188","0.0009","10.6776","0.0006","90","","102.251","0.001","90","","3165.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 B N6 S2 Zn -","- C35 H33 B N6 S2 Zn -","- C140 H132 B4 N24 S8 Zn4 -","4","1","","Faith E. Jacobsen; Seth M. Cohen","Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design","Inorganic Chemistry","2004","43","","3038","3047","10.1021/ic035388o","","","0.71073","MoKα","","0.0442","0.0398","","","0.1174","0.1198","","","","","","1.045","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311001","11.8958","0.0007","11.91","0.0007","12.2087","0.0007","91.678","0.001","94.673","0.001","95.525","0.001","1714.76","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 B F3 N6 O3 Zn -","- C36 H34 B F3 N6 O3 Zn -","- C72 H68 B2 F6 N12 O6 Zn2 -","2","1","","Faith E. Jacobsen; Seth M. Cohen","Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design","Inorganic Chemistry","2004","43","","3038","3047","10.1021/ic035388o","","","0.71073","MoKα","","0.0413","0.0366","","","0.1011","0.1033","","","","","","1.083","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311002","11.3476","0.0008","17.3815","0.0013","17.7829","0.0013","90.55","0.001","103.822","0.001","95.085","0.001","3390.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.25 H36 B N6 O3 Zn -","- C37 H0.6665 B N6 O3 Zn -","- C148 H2.666 B4 N24 O12 Zn4 -","4","2","","Faith E. Jacobsen; Seth M. Cohen","Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design","Inorganic Chemistry","2004","43","","3038","3047","10.1021/ic035388o","","","0.71073","MoKα","","0.0751","0.0648","","","0.2236","0.2297","","","","","","1.305","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311003","11.7605","0.0008","12.2087","0.0009","15.0694","0.0011","94.884","0.001","111.004","0.001","112.972","0.001","1794.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 B N7 O2 Zn -","- C37 H34 B N7 O2 Zn -","- C74 H68 B2 N14 O4 Zn2 -","2","1","","Faith E. Jacobsen; Seth M. Cohen","Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design","Inorganic Chemistry","2004","43","","3038","3047","10.1021/ic035388o","","","0.71073","MoKα","","0.0351","0.0324","","","0.089","0.0907","","","","","","1.103","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311004","10.2483","0.001","10.4116","0.001","17.3045","0.0017","102.317","0.002","94.08","0.002","93.098","0.002","1794.8","0.3","218","2","218","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 B N6 O2 S Zn -","- C40 H36 B N6 O2 S Zn -","- C80 H72 B2 N12 O4 S2 Zn2 -","2","1","","Faith E. Jacobsen; Seth M. Cohen","Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design","Inorganic Chemistry","2004","43","","3038","3047","10.1021/ic035388o","","","0.71073","MoKα","","0.0523","0.0437","","","0.1087","0.1137","","","","","","1.024","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4311005","12.0248","0.001","12.058","0.0009","15.0153","0.0012","84.23","0.002","75.737","0.002","66.522","0.002","1935.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H40 B N7 O S Zn -","- C43 H40 B N7 O S Zn -","- C86 H80 B2 N14 O2 S2 Zn2 -","2","1","","Faith E. Jacobsen; Seth M. Cohen","Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design","Inorganic Chemistry","2004","43","","3038","3047","10.1021/ic035388o","","","0.71073","MoKα","","0.0797","0.0686","","","0.1361","0.1407","","","","","","1.233","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311006","11.3869","0.0008","22.6123","0.0015","13.1052","0.0009","90","","92.306","0.001","90","","3371.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 B N6 O3 Zn -","- C38 H35 B N6 O3 Zn -","- C152 H140 B4 N24 O12 Zn4 -","4","1","","Faith E. Jacobsen; Seth M. Cohen","Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design","Inorganic Chemistry","2004","43","","3038","3047","10.1021/ic035388o","","","0.71073","MoKα","","0.0408","0.0338","","","0.0848","0.0882","","","","","","1.038","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311007","11.3698","0.001","23.399","0.002","12.864","0.0012","90","","90.503","0.002","90","","3422.2","0.5","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 B N6 O2 S Zn -","- C38 H35 B N6 O2 S Zn -","- C152 H140 B4 N24 O8 S4 Zn4 -","4","1","","Faith E. Jacobsen; Seth M. Cohen","Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design","Inorganic Chemistry","2004","43","","3038","3047","10.1021/ic035388o","","","0.71073","MoKα","","0.0399","0.0333","","","0.081","0.0838","","","","","","1.05","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311008","10.8652","0.0015","16.77","0.002","20.893","0.003","77.227","0.002","89.995","0.002","87.78","0.002","3709.8","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H39.5 B N6 O2 Zn -","- C42.5 H39.5 B N6 O2 Zn -","- C170 H158 B4 N24 O8 Zn4 -","4","2","","Faith E. Jacobsen; Seth M. Cohen","Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design","Inorganic Chemistry","2004","43","","3038","3047","10.1021/ic035388o","","","0.71073","MoKα","","0.1424","0.0948","","","0.1794","0.1945","","","","","","1.128","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311009","12.43682","","12.43682","","7.764229","","90","","90","","120","","1040.03","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe39 Ga39 -","- Fe13 Ga13 -","- Fe39 Ga39 -","3","0.0833333","","Olivier Gourdon; Sergey L. Bud'ko; Darrick Williams; Gordon J. Miller","Crystallographic, Electronic, and Magnetic Studies of ζ2-GaM (M = Cr, Mn or Fe): Trends in Itinerant Magnetism","Inorganic Chemistry","2004","43","","3210","3218","10.1021/ic035419f","","x-ray","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311010","12.625","0.008","12.625","0.008","7.785","0.01","90","","90","","120","","1074.6","1.7","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Cr39 Ga39 -","- Cr13 Ga13 -","- Cr39 Ga39 -","3","0.0833333","","Olivier Gourdon; Sergey L. Bud'ko; Darrick Williams; Gordon J. Miller","Crystallographic, Electronic, and Magnetic Studies of ζ2-GaM (M = Cr, Mn or Fe): Trends in Itinerant Magnetism","Inorganic Chemistry","2004","43","","3210","3218","10.1021/ic035419f","","x-ray","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311011","17.0352","0.0013","15.7744","0.0011","17.8266","0.0014","90","","118.152","0.008","90","","4223.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DM-TTF-(PPh2)2PdCl2, 2CHCl3","","","- C34 H28 Cl8 P2 Pd S4 -","- C34 H28 Cl8 P2 Pd S4 -","- C136 H112 Cl32 P8 Pd4 S16 -","4","1","","Thomas Devic; Patrick Batail; Marc Fourmigué; Narcis Avarvari","Unexpected Reactivity of PdCl2 and PtCl2 Complexes of the Unsaturated Diphosphineo-Me2TTF(PPh2)2 toward Chloride Abstraction with Thallium Triflate","Inorganic Chemistry","2004","43","","3136","3141","10.1021/ic035447y","","","0.71073","MoKα","","0.1328","0.0892","","","0.2695","0.2806","","","","","","1.264","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311012","9.9545","0.0005","18.5549","0.0013","23.9138","0.0013","90","","96.044","0.006","90","","4392.4","0.5","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","DM-TTF-(PPh2)2PdCl2, Tl(OTf), Et2O","","","- C37 H36 Cl2 F3 O4 P2 Pd S5 Tl -","- C37 H26 Cl2 F3 O4 P2 Pd S5 Tl -","- C148 H104 Cl8 F12 O16 P8 Pd4 S20 Tl4 -","4","1","","Thomas Devic; Patrick Batail; Marc Fourmigué; Narcis Avarvari","Unexpected Reactivity of PdCl2 and PtCl2 Complexes of the Unsaturated Diphosphineo-Me2TTF(PPh2)2 toward Chloride Abstraction with Thallium Triflate","Inorganic Chemistry","2004","43","","3136","3141","10.1021/ic035447y","","","0.71073","MoKα","","0.0948","0.0394","","","0.0852","0.0945","","","","","","0.696","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311013","9.1915","0.0009","13.5486","0.0015","23.5","0.003","97.939","0.013","99.11","0.013","95.102","0.013","2843.5","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","[(dppen)Pd]2Cl2(OTf)2","","","- C54 H44 Cl2 F6 O6 P4 Pd2 S2 -","- C54 H44 Cl2 F6 O6 P4 Pd2 S2 -","- C108 H88 Cl4 F12 O12 P8 Pd4 S4 -","2","1","","Thomas Devic; Patrick Batail; Marc Fourmigué; Narcis Avarvari","Unexpected Reactivity of PdCl2 and PtCl2 Complexes of the Unsaturated Diphosphineo-Me2TTF(PPh2)2 toward Chloride Abstraction with Thallium Triflate","Inorganic Chemistry","2004","43","","3136","3141","10.1021/ic035447y","","","0.71073","MoKα","","0.1128","0.0439","","","0.072","0.084","","","","","","0.726","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311014","10.0411","0.0004","18.958","0.002","23.73","0.004","90","","97.363","0.005","90","","4480","0.9","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","DM-TTF-(PPh2)2PtCl2, Tl(OTf), Et2O","","","- C37 H36 Cl2 F3 O4 P2 Pt S5 Tl -","- C37 H36 Cl2 F3 O4 P2 Pt S5 Tl -","- C148 H144 Cl8 F12 O16 P8 Pt4 S20 Tl4 -","4","1","","Thomas Devic; Patrick Batail; Marc Fourmigué; Narcis Avarvari","Unexpected Reactivity of PdCl2 and PtCl2 Complexes of the Unsaturated Diphosphineo-Me2TTF(PPh2)2 toward Chloride Abstraction with Thallium Triflate","Inorganic Chemistry","2004","43","","3136","3141","10.1021/ic035447y","","","0.71073","MoKα","","0.1131","0.0493","","","0.096","0.1156","","","","","","1.002","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311015","13.433","0.003","14.69","0.004","13.076","0.003","90","","90","","90","","2580.3","1.1","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H32 B18 Cl2 Ni2 -","- C13 H32 B18 Cl2 Ni2 -","- C52 H128 B72 Cl8 Ni8 -","4","1","","Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","Synthesis, Structure and Dynamics of Nickelacarboranes Incorporating the [nido-7,9-C~2~B~9~H~11~]^2-^ Ligand","Inorganic Chemistry","2004","43","","3090","3097","10.1021/ic035458r","","","0.71073","MoKα","","0.0525","0.038","","","0.0801","0.083","","","","","","0.947","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311016","10.29","0.002","13.537","0.004","17.289","0.005","90","","93.7","0.02","90","","2403.3","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 B9 N Ni -","- C19 H40 B9 N Ni -","- C76 H160 B36 N4 Ni4 -","4","1","","Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","Synthesis, Structure and Dynamics of Nickelacarboranes Incorporating the [nido-7,9-C~2~B~9~H~11~]^2-^ Ligand","Inorganic Chemistry","2004","43","","3090","3097","10.1021/ic035458r","","","0.71073","MoKα","","0.1414","0.0774","","","0.1693","0.2385","","","","","","1.103","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311017","9.836","0.003","13.185","0.0016","13.262","0.003","90","","90","","90","","1719.9","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H26 B9 Ni O P -","- C9 H26 B9 Ni O P -","- C36 H104 B36 Ni4 O4 P4 -","4","1","","Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","Synthesis, Structure and Dynamics of Nickelacarboranes Incorporating the [nido-7,9-C~2~B~9~H~11~]^2-^ Ligand","Inorganic Chemistry","2004","43","","3090","3097","10.1021/ic035458r","","","0.71073","MoKα","","0.0557","0.0395","","","0.0737","0.0789","","","","","","1.024","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311018","13.276","0.004","9.526","0.002","13.8","0.003","90","","101.62","0.02","90","","1709.5","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 B9 Ni -","- C12 H27 B9 Ni -","- C48 H108 B36 Ni4 -","4","1","","Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","Synthesis, Structure and Dynamics of Nickelacarboranes Incorporating the [nido-7,9-C~2~B~9~H~11~]^2-^ Ligand","Inorganic Chemistry","2004","43","","3090","3097","10.1021/ic035458r","","","0.71073","MoKα","","0.13","0.0614","","","0.1138","0.1373","","","","","","1.012","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311019","22.873","0.0015","14.9341","0.001","16.3363","0.0011","90","","90.402","0.001","90","","5580.1","0.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","holjs34","","","- C58 H82 Cl2 Fe2 N4 -","- C58 H82 Cl2 Fe2 N4 -","- C232 H328 Cl8 Fe8 N16 -","4","0.5","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0441","0.0414","","","0.0937","0.0949","","","","","","1.214","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311020","9.9115","0.0006","12.0208","0.0008","18.6827","0.0012","91.716","0.001","95.853","0.001","108.13","0.001","2099.9","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","holne55","","","- C42 H59 F3 Fe N3 O3 S -","- C42 H59 F3 Fe N3 O3 S -","- C84 H118 F6 Fe2 N6 O6 S2 -","2","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0633","0.0403","","","0.0911","0.0976","","","","","","1.011","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311021","10.681","0.002","21.222","0.005","18.542","0.004","90","","99.469","0.004","90","","4145.7","1.5","193","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","holne25","","","- C49 H79 Fe N3 O2 -","- C45 H67 Fe N3 O -","- C180 H268 Fe4 N12 O4 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.1553","0.1155","","","0.1711","0.1836","","","","","","1.302","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311022","9.1937","0.0007","12.4377","0.001","17.7907","0.0014","83.095","0.002","86.147","0.01","86.091","0.001","2011.3","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","holne33","","","- C41 H59 Fe N3 O -","- C41 H59 Fe N3 O -","- C82 H118 Fe2 N6 O2 -","2","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0555","0.0474","","","0.1168","0.12","","","","","","1.054","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311023","9.0678","0.0006","20.1462","0.0012","10.1664","0.0006","90","","114.205","0.001","90","","1693.94","0.18","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","holne54","","","- C33 H50 Cl Fe N2 O -","- C33 H50 Cl Fe N2 O -","- C66 H100 Cl2 Fe2 N4 O2 -","2","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0693","0.0523","","","0.1392","0.1523","","","","","","1.022","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311024","11.5511","0.001","11.8987","0.001","16.4896","0.0014","94.699","0.002","106.354","0.001","112.819","0.001","1957.1","0.3","193","2","293","2","","","","","","","","7","P -1","-P 1","2","holne53","","","- C37 H60 Cl Fe Li N2 O2 -","- C37 H60 Cl Fe Li N2 O2 -","- C74 H120 Cl2 Fe2 Li2 N4 O4 -","2","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0564","0.0492","","","0.1339","0.1391","","","","","","1.019","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311025","10.7526","0.0007","31.146","0.002","12.1488","0.0008","90","","115.481","0.001","90","","3672.9","0.4","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","holne59","","","- C34 H50 F3 Fe N2 O4 S -","- C34 H50 F3 Fe N2 O4 S -","- C136 H200 F12 Fe4 N8 O16 S4 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0877","0.0682","","","0.1487","0.1579","","","","","","1.104","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311026","44.079","0.003","14.9748","0.0009","27.2296","0.0016","90","","106.984","0.001","90","","17189.7","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","holne57","","","- C47 H68.5 Fe N3.5 -","- C47 H68.5 Fe N3.5 -","- C752 H1096 Fe16 N56 -","16","2","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0468","0.0362","","","0.0863","0.0915","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311027","13.564","0.001","16.045","0.0012","20.4062","0.0015","90","","95.597","0.01","90","","4419.9","0.6","193","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","holne21","","","- C44 H67 Cl Fe Li N3 O2 -","- C44 H67 Cl Fe Li N3 O2 -","- C176 H268 Cl4 Fe4 Li4 N12 O8 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.1763","0.1678","","","0.288","0.291","","","","","","1.515","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311028","18.0746","0.0014","8.7561","0.0007","21.0325","0.0016","90","","90","","90","","3328.7","0.4","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","holne56","","","- C33 H50 Fe N2 O -","- C33 H50 Fe N2 O -","- C132 H200 Fe4 N8 O4 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0633","0.0352","","","0.084","0.0972","","","","","","1.005","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311029","12.3408","0.0006","13.3377","0.0007","29.7324","0.0015","90","","101.544","0.001","90","","4794.9","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holne39","","","- C49 H74 Fe N4 -","- C49 H74 Fe N4 -","- C196 H296 Fe4 N16 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.1003","0.0657","","","0.1269","0.1389","","","","","","1.086","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311030","12.7218","0.0009","19.6354","0.0013","22.6539","0.0016","90","","100.406","0.01","90","","5565.8","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holne48","","","- C59 H91 Fe N4 -","- C59 H91 Fe N4 -","- C236 H364 Fe4 N16 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0836","0.056","","","0.1472","0.1578","","","","","","1.094","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311031","12.3758","0.0009","16.7222","0.0013","19.5633","0.0015","85.274","0.001","77.668","0.001","86.722","0.001","3938.5","0.5","193","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H58 Fe N2 -","- C43 H58 Fe N2 -","- C172 H232 Fe4 N8 -","4","2","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0598","0.0467","","","0.1352","0.1413","","","","","","1.095","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311032","13.5816","0.0008","15.0241","0.0009","21.6332","0.0013","90","","90","","90","","4414.3","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","holne24","","","- C47 H71 Fe N3 -","- C47 H71 Fe N3 -","- C188 H284 Fe4 N12 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0496","0.044","","","0.1049","0.1075","","","","","","1.063","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311033","9.7","0.0011","17.906","0.002","21.821","0.003","90","","96.464","0.002","90","","3766","0.8","192","2","192","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holne02","","","- C39 H63 Fe N3 -","- C39 H63 Fe N3 -","- C156 H252 Fe4 N12 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.2373","0.1708","","","0.4248","0.4496","","","","","","1.483","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311034","9.5603","0.0006","20.1214","0.0012","22.2744","0.0014","90","","99.945","0.001","90","","4220.5","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holne01","","","- C44.5 H66 Fe N3 -","- C44.5 H66 Fe N3 -","- C178 H264 Fe4 N12 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","mokα","","0.1107","0.061","","","0.1287","0.1487","","","","","","1.045","","","","has coordinates","189847","2020-10-21","18:00:00",""
"4311035","17.0752","0.0011","10.3304","0.0006","22.5209","0.0014","90","","95.816","0.01","90","","3952.1","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holne26","","","- C43 H63 Fe N3 -","- C43 H63 Fe N3 -","- C172 H252 Fe4 N12 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.1339","0.0744","","","0.1436","0.1625","","","","","","1.063","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311036","18.3127","0.0017","24.403","0.002","22.965","0.002","90","","106.223","0.002","90","","9854.1","1.5","163","2","163","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H75 As2 N7 Na O85.5 Sn2 W19 -","- C12 As2 Na O92.5 Sn2 W19 -","- C48 As8 Na4 O370 Sn8 W76 -","4","1","","Firasat Hussain; Ulrich Kortz; Ronald J. Clark","The Bis-Phenyltin Substituted, Lone Pair Containing Tungstoarsenate [(C~6~H~5~Sn)~2~As~2~W~19~O~67~(H~2~O)]^8-^","Inorganic Chemistry","2004","43","","3237","3241","10.1021/ic049797b","","","0.71073","MoKα","","0.0957","0.0753","","","0.1459","0.1537","","","","","","1.201","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311037","21.066","0.009","31.371","0.013","9.25","0.004","90","","109.048","0.007","90","","5778","4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H71 Cr2 Cu3 N28 O3.5 -","- C36 H64 Cr2 Cu3 N28 O3.5 -","- C144 H256 Cr8 Cu12 N112 O14 -","4","0.5","","Hui-Zhong Kou; Yun-Bo Jiang; Bei Chuan Zhou; Ru-Ji Wang","Cyano-Bridged 2D CuII-CrIII Coordination Polymers: Structural Evidence for Formation of a Polymeric Macrocyclic Metallic Compound","Inorganic Chemistry","2004","43","","3271","3276","10.1021/ic049857d","","","0.71073","MoKα","","0.1773","0.0859","","","0.1751","0.1954","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311038","20.446","0.004","20.476","0.003","19.852","0.003","90","","113.357","0.009","90","","7630","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H98 Cl2 Cr2 Cu4 N34 O14 -","- C44 H80 Cl2 Cr2 Cu4 N34 O14 -","- C176 H320 Cl8 Cr8 Cu16 N136 O56 -","4","0.5","","Hui-Zhong Kou; Yun-Bo Jiang; Bei Chuan Zhou; Ru-Ji Wang","Cyano-Bridged 2D CuII-CrIII Coordination Polymers: Structural Evidence for Formation of a Polymeric Macrocyclic Metallic Compound","Inorganic Chemistry","2004","43","","3271","3276","10.1021/ic049857d","","","0.71073","MoKα","","0.0966","0.0532","","","0.109","0.1259","","","","","","1.069","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311039","13.9285","0.0003","17.402","0.0004","19.2839","0.0005","83.339","0.005","87.924","0.005","87.23","0.005","4634.9","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H96 B2 Cu2 F8 N8 -","- C112 H96 B2 Cu2 F8 N8 -","- C224 H192 B4 Cu4 F16 N16 -","2","1","","Elzbieta Gumienna-Kontecka; Yannick Rio; Cyril Bourgogne; Mourad Elhabiri; Rémy Louis; Anne-Marie Albrecht-Gary; Jean-François Nierengarten","Dendrimers with a Copper(I) Bis(phenanthroline) Core: Synthesis, Electronic Properties, and Kinetics","Inorganic Chemistry","2004","43","","3200","3209","10.1021/ic049945y","","","0.71073","Mo-Kα","","0.232","0.076","","0.507","","0.09","","","13.055","","","1.357","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311040","15.191","0.006","7.044","0.002","13.603","0.006","90","","107.31","0.04","90","","1389.7","1","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H7 Cl2 Mn N O2 -","- C2 H7 Cl2 Mn N O2 -","- C16 H56 Cl16 Mn8 N8 O16 -","8","1","","James D. Martin; Ryan F. Hess; Paul D. Boyle","Synthesis of [NH4]MnCl2(OAc) and [NH4]2MnCl4(H2O)2 by Solvothermal Dehydration and Structure/Property Correlations in a One-Dimensional Antiferromagnet","Inorganic Chemistry","2004","43","","3242","3247","10.1021/ic049881r","","","0.71073","MolybdenumKα","","0.051","0.041","","0.048","0.047","","","","","1.65","1.65","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311041","7.525","0.0005","7.525","0.0005","8.276","0.0017","90","","90","","90","","468.63","0.11","293","","293","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Cl4 H12 Mn N2 O2 -","- Cl4 H12 Mn N2 O2 -","- Cl8 H24 Mn2 N4 O4 -","2","0.0625","","James D. Martin; Ryan F. Hess; Paul D. Boyle","Synthesis of [NH4]MnCl2(OAc) and [NH4]2MnCl4(H2O)2 by Solvothermal Dehydration and Structure/Property Correlations in a One-Dimensional Antiferromagnet","Inorganic Chemistry","2004","43","","3242","3247","10.1021/ic049881r","","","0.71073","MolybdenumKα","","0.055","0.04","","0.049","0.049","","","","","1.47","1.47","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311042","6.8497","0.0007","7.2981","0.0008","12.7495","0.0014","87.54","0.013","80.048","0.013","67.762","0.012","580.89","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 Cl3 Cs2 N O5 Ru -","- C2 Cl3 Cs2 N O5 Ru -","- C4 Cl6 Cs4 N2 O10 Ru2 -","2","1","","Sylvie Ferlay; Helmut W. Schmalle; Giancarlo Francese; Helen Stoeckli-Evans; Mirco Imlau; Dominik Schaniel; Theo Woike","Light-Induced Metastable States in Oxalatenitrosylruthenium(II) and Terpyridinenitrosylruthenium(II) Complexes","Inorganic Chemistry","2004","43","","3500","3506","10.1021/ic0350178","","","0.71073","MoKα","","0.0273","0.0258","","","0.0543","0.0549","","","","","","1.184","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311043","9.111","0.002","10.005","0.002","15.443","0.003","89.69","0.03","73.22","0.03","64.27","0.03","1202.3","0.6","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","([Ni(cyclam)][Ru(NO)(C2O4)Cl3].3H2O)","","- C12 H30 Cl3 N5 Ni O8 Ru -","- C12 H30 Cl3 N5 Ni O8 Ru -","- C24 H60 Cl6 N10 Ni2 O16 Ru2 -","2","1","","Sylvie Ferlay; Helmut W. Schmalle; Giancarlo Francese; Helen Stoeckli-Evans; Mirco Imlau; Dominik Schaniel; Theo Woike","Light-Induced Metastable States in Oxalatenitrosylruthenium(II) and Terpyridinenitrosylruthenium(II) Complexes","Inorganic Chemistry","2004","43","","3500","3506","10.1021/ic0350178","","","0.71073","MoKα","","0.0903","0.0404","","","0.0891","0.1057","","","","","","1.298","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311044","9.688","0.002","13.936","0.003","14.544","0.003","90","","105.86","0.03","90","","1888.9","0.7","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorohydroxy-terpy-ruthenium-nitrosyl hexafluorophosphate","","- C15 H12 Cl F6 N4 O2 P Ru -","- C15 H12 Cl F6 N4 O2 P Ru -","- C60 H48 Cl4 F24 N16 O8 P4 Ru4 -","4","1","","Sylvie Ferlay; Helmut W. Schmalle; Giancarlo Francese; Helen Stoeckli-Evans; Mirco Imlau; Dominik Schaniel; Theo Woike","Light-Induced Metastable States in Oxalatenitrosylruthenium(II) and Terpyridinenitrosylruthenium(II) Complexes","Inorganic Chemistry","2004","43","","3500","3506","10.1021/ic0350178","","","0.71073","MoKα","","0.0687","0.0448","","","0.1156","0.124","","","","","","1.113","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311045","8.177","0.004","18.907","0.007","19.642","0.008","90","","90","","90","","3037","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Co N3 O7 -","- C31 H40 Co N3 O7 -","- C124 H160 Co4 N12 O28 -","4","1","","Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher","Synthesis, Characterization, and Solution Behavior of Optically Active cisβ Organocobalt Salen Complexes with l-Amino Acids","Inorganic Chemistry","2004","43","","3433","3440","10.1021/ic035059w","","","0.71069","MoKα","","0.0796","0.0554","","","0.1352","0.1561","","","","","","1.02","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311046","8.17","0.03","19","0.04","19.86","0.04","90","","90","","90","","3083","14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Co N3 O7 -","- C31 H40 Co N3 O7 -","- C124 H160 Co4 N12 O28 -","4","1","","Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher","Synthesis, Characterization, and Solution Behavior of Optically Active cisβ Organocobalt Salen Complexes with l-Amino Acids","Inorganic Chemistry","2004","43","","3433","3440","10.1021/ic035059w","","","0.71069","MoKα","","0.3267","0.1235","","","0.2842","0.4134","","","","","","0.913","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311047","10.285","0.002","18.702","0.007","14.868","0.005","90","","97.39","","90","","2836.1","1.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Co N3 O6.5 -","- C26 H35 Co N3 O6.5 -","- C104 H140 Co4 N12 O26 -","4","2","","Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher","Synthesis, Characterization, and Solution Behavior of Optically Active cisβ Organocobalt Salen Complexes with l-Amino Acids","Inorganic Chemistry","2004","43","","3433","3440","10.1021/ic035059w","","","0.71069","MoKα","","0.1343","0.0861","","","0.2253","0.273","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311048","11.826","0.008","13.962","0.006","19.02","0.011","78.56","0.05","87.14","0.04","80.52","0.06","3036","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H51 Cl F6 N2 O2.5 P3 Ru -","- C64 H51 Cl F6 N2 O2.5 P3 Ru -","- C128 H102 Cl2 F12 N4 O5 P6 Ru2 -","2","1","","Christopher J. Adams; Simon J. A. Pope","Diimine-Acetylide Compounds of Ruthenium: The Structural and Spectroscopic Effects of Oxidation","Inorganic Chemistry","2004","43","","3492","3499","10.1021/ic035181v","","","0.71073","MoKα","","0.1346","0.0664","","","0.1675","0.2011","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311049","27.18","0.005","12.912","0.003","14.454","0.003","90","","90","","90","","5072.6","1.8","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C58 H61 Cl N2 O P2 Ru -","- C58 H61 Cl N2 O P2 Ru -","- C232 H244 Cl4 N8 O4 P8 Ru4 -","4","1","","Christopher J. Adams; Simon J. A. Pope","Diimine-Acetylide Compounds of Ruthenium: The Structural and Spectroscopic Effects of Oxidation","Inorganic Chemistry","2004","43","","3492","3499","10.1021/ic035181v","","","0.71073","MoKα","","0.0866","0.0446","","","0.0824","0.0983","","","","","","1.011","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311050","13.4399","0.0003","15.7195","0.0005","20.3644","0.0005","90","","90","","90","","4302.4","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H76 Li2 N8 P2 Si2 -","- C30 H76 Li2 N8 P2 Si2 -","- C120 H304 Li8 N32 P8 Si8 -","4","1","","Andrea Armstrong; Tristram Chivers; Masood Parvez; Gabriele Schatte; René T. Boeré","Lithiation of (tBuNH)3PNSiMe3 and Formation of Tetraimidophosphate Complexes Containing M3O3 Rings (M = Li, K): X-ray Structure of the Stable Radical {(Me3SiN)P(μ3-NtBu)3[μ3-Li(THF)]3(OtBu)}","Inorganic Chemistry","2004","43","","3453","3460","10.1021/ic035377v","","","0.71073","MoKα","","0.0774","0.0506","","","0.1148","0.1293","","","","","","1.033","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311051","6.631","0.0013","10.651","0.002","12.214","0.002","65.8","0.03","87.08","0.03","74.07","0.03","754.7","0.3","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H18 N8 O7 Pd -","- C8 H18 N8 O7 Pd -","- C16 H36 N16 O14 Pd2 -","2","1","","Deepali Gupta; Markus Huelsekopf; Marta Morell Cerdà; Ralf Ludwig; Bernhard Lippert","Complex Formation of Isocytosine Tautomers with PdII and PtII","Inorganic Chemistry","2004","43","","3386","3393","10.1021/ic0353965","","","0.71073","MoKα","","","0.018","","","","0.0447","","","","","","1.035","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311052","10.8836","0.0017","13.469","0.003","19.382","0.003","95.739","0.011","96.001","0.01","95.18","0.02","2796.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H76 Cl Cu Mn N10 O2.5 -","- C60 H76 Cl Cu Mn N10 O2.5 -","- C120 H152 Cl2 Cu2 Mn2 N20 O5 -","2","1","","Min Zhao; Chang Zhong; Charlotte Stern; Anthony G. M. Barrett; Brian M. Hoffman","Synthesis and Properties of Dimetallic M1[Pz]-M2[Schiff Base] Complexes","Inorganic Chemistry","2004","43","","3377","3385","10.1021/ic035402x","","","0.71073","MoKα","","0.1148","0.079","","","0.2184","0.2623","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311053","10.427","0.002","14.848","0.003","21.418","0.005","104","0.004","96","0.004","95","0.004","3178","1.2","153.2","","153.2","","","","","","","","","5","P -1","-P 1","2","","","","- C65.5 H70 N10 Ni1.07 O2.75 -","- C65.5 H70 N10 Ni1.07 O2.75 -","- C131 H140 N20 Ni2.14 O5.5 -","2","1","","Min Zhao; Chang Zhong; Charlotte Stern; Anthony G. M. Barrett; Brian M. Hoffman","Synthesis and Properties of Dimetallic M1[Pz]-M2[Schiff Base] Complexes","Inorganic Chemistry","2004","43","","3377","3385","10.1021/ic035402x","","","0.7107","MoKα","","0.182","0.093","","0.213","","0.103","","","2.919","","","3.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311054","12.9177","0.0016","13.476","0.0017","23.148","0.003","82.096","0.003","74.402","0.003","64.714","0.003","3508.1","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H126 O6 Si6 Ta2 -","- C54 H126 O6 Si6 Ta2 -","- C108 H252 O12 Si12 Ta4 -","2","1","","Andrew R. Chadeayne; Peter T. Wolczanski; Emil B. Lobkovsky","The Course of (R2R'SiO)3TaCl2 (R =tBu, R' = H, Me, Ph,tBu (silox); R =iPr, R' =tBu,iPr) Reduction Is Dependent on Siloxide Size","Inorganic Chemistry","2004","43","","3421","3432","10.1021/ic035407u","","","0.71073","MoKα","","0.0829","0.0577","","","0.157","0.1689","","","","","","1.146","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311055","13.9922","0.0008","25.2621","0.0014","21.2191","0.0011","90","","101.968","0.001","90","","7337.3","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H126 Cl2 O6 Si6 Ta2 -","- C54 H126 Cl2 O6 Si6 Ta2 -","- C216 H504 Cl8 O24 Si24 Ta8 -","4","0.5","","Andrew R. Chadeayne; Peter T. Wolczanski; Emil B. Lobkovsky","The Course of (R2R'SiO)3TaCl2 (R =tBu, R' = H, Me, Ph,tBu (silox); R =iPr, R' =tBu,iPr) Reduction Is Dependent on Siloxide Size","Inorganic Chemistry","2004","43","","3421","3432","10.1021/ic035407u","","","0.71073","MoKα","","0.068","0.0402","","","0.074","0.081","","","","","","1.02","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311056","6.96","0.0002","11.665","0.0005","9.63","0.0003","90","","94.273","0.002","90","","779.67","0.05","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 Cu N6 O5.5 -","- C12 H18 Cu N6 O5.5 -","- C24 H36 Cu2 N12 O11 -","2","1","","Patrick Deschamps; Prasad P. Kulkarni; Bibudhendra Sarkar","X-ray Structure of Physiological Copper(II)-Bis(l-histidinato) Complex","Inorganic Chemistry","2004","43","","3338","3340","10.1021/ic035413q","","","0.71073","MoKα","","0.0435","0.0359","","","0.074","0.0779","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311057","13.8956","0.0012","16.3362","0.0016","7.334","0.0012","90","","90","","90","","1664.8","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H14 Cl Cu N3 O8 -","- C14 H14 Cl Cu N3 O8 -","- C56 H56 Cl4 Cu4 N12 O32 -","4","1","","Suman Mukhopadhyay; Pabitra Baran Chatterjee; Debdas Mandal; Golam Mostafa; Andrea Caneschi; Joris van Slageren; Timothy J. R. Weakley; Muktimoy Chaudhury","Honeycomb Nets with Interpenetrating Frameworks Involving Iminodiacetato-Copper(II) Blocks and Bipyridine Spacers: Syntheses, Characterization, and Magnetic Studies","Inorganic Chemistry","2004","43","","3413","3420","10.1021/ic035422z","","","0.71073","MoKα","","0.0756","0.0576","","","0.1411","0.1565","","","","","","1.102","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311058","10.1887","0.0008","8.0008","0.0011","11.6684","0.0009","90","","98.31","0.01","90","","941.19","0.17","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H22 Cu2 N4 O10 -","- C18 H18 Cu2 N4 O8 -","- C36 H36 Cu4 N8 O16 -","2","0.5","","Suman Mukhopadhyay; Pabitra Baran Chatterjee; Debdas Mandal; Golam Mostafa; Andrea Caneschi; Joris van Slageren; Timothy J. R. Weakley; Muktimoy Chaudhury","Honeycomb Nets with Interpenetrating Frameworks Involving Iminodiacetato-Copper(II) Blocks and Bipyridine Spacers: Syntheses, Characterization, and Magnetic Studies","Inorganic Chemistry","2004","43","","3413","3420","10.1021/ic035422z","","","0.71073","MoKα","","0.042","0.028","","0.067","","0.033","","","1.49","","","1.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311059","9.6779","0.001","9.1718","0.001","12.9144","0.0012","90","","102.796","0.008","90","","1117.9","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H22 Cu2 N4 O8 -","- C20 H22 Cu2 N4 O8 -","- C40 H44 Cu4 N8 O16 -","2","0.5","","Suman Mukhopadhyay; Pabitra Baran Chatterjee; Debdas Mandal; Golam Mostafa; Andrea Caneschi; Joris van Slageren; Timothy J. R. Weakley; Muktimoy Chaudhury","Honeycomb Nets with Interpenetrating Frameworks Involving Iminodiacetato-Copper(II) Blocks and Bipyridine Spacers: Syntheses, Characterization, and Magnetic Studies","Inorganic Chemistry","2004","43","","3413","3420","10.1021/ic035422z","","","0.71073","MoKα","","0.058","0.043","","0.114","","0.057","","","2.28","","","2.49","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311060","8.3343","0.0017","21.19","0.004","8.6625","0.0017","90","","105.91","0.03","90","","1471.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd N14 O6 -","- C24 H24 Cd N14 O6 -","- C48 H48 Cd2 N28 O12 -","2","0.5","","Xiangru Meng; Yinglin Song; Hongwei Hou; Huayun Han; Bo Xiao; Yaoting Fan; Yu Zhu","Hydrothermal Syntheses, Crystal Structures, and Characteristics of a Series of Cd-btx Coordination Polymers (btx = 1,4-Bis(triazol-1-ylmethyl)benzene)","Inorganic Chemistry","2004","43","","3528","3536","10.1021/ic0354670","","","0.71073","MoKα","","0.0755","0.0604","","","0.1597","0.1675","","","","","","1.105","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311061","7.6765","0.0015","21.895","0.004","8.9479","0.0018","90","","109.23","0.03","90","","1420","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd Cl2 N12 -","- C24 H24 Cd Cl2 N12 -","- C48 H48 Cd2 Cl4 N24 -","2","0.5","","Xiangru Meng; Yinglin Song; Hongwei Hou; Huayun Han; Bo Xiao; Yaoting Fan; Yu Zhu","Hydrothermal Syntheses, Crystal Structures, and Characteristics of a Series of Cd-btx Coordination Polymers (btx = 1,4-Bis(triazol-1-ylmethyl)benzene)","Inorganic Chemistry","2004","43","","3528","3536","10.1021/ic0354670","","","0.71073","MoKα","","0.0274","0.0217","","","0.0501","0.0514","","","","","","1.063","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311062","12.407","0.003","12.805","0.003","11.297","0.002","89.9","0.03","101.75","0.03","102.37","0.03","1714.7","0.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cd2 N12 O12 S2 -","- C24 H24 Cd2 N12 O12 S2 -","- C48 H48 Cd4 N24 O24 S4 -","2","1","","Xiangru Meng; Yinglin Song; Hongwei Hou; Huayun Han; Bo Xiao; Yaoting Fan; Yu Zhu","Hydrothermal Syntheses, Crystal Structures, and Characteristics of a Series of Cd-btx Coordination Polymers (btx = 1,4-Bis(triazol-1-ylmethyl)benzene)","Inorganic Chemistry","2004","43","","3528","3536","10.1021/ic0354670","","","0.71073","MoKα","","0.1308","0.1048","","","0.2767","0.2993","","","","","","1.153","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311063","8.5563","0.0017","12.438","0.003","8.542","0.0017","107.33","0.03","97.22","0.03","88.63","0.03","860.8","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cd N6 O8 S2 -","- C12 H8 Cd N6 O8 S2 -","- C24 H16 Cd2 N12 O16 S4 -","2","1","","Xiangru Meng; Yinglin Song; Hongwei Hou; Huayun Han; Bo Xiao; Yaoting Fan; Yu Zhu","Hydrothermal Syntheses, Crystal Structures, and Characteristics of a Series of Cd-btx Coordination Polymers (btx = 1,4-Bis(triazol-1-ylmethyl)benzene)","Inorganic Chemistry","2004","43","","3528","3536","10.1021/ic0354670","","","0.71073","MoKα","","0.1064","0.099","","","0.2794","0.2891","","","","","","1.375","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311064","9.492","0.0012","17.577","0.002","18.021","0.002","90","","97.721","0.002","90","","2979.4","0.6","173","2","173","2","","","","","","","Eric C. Brown","4","P 1 21/n 1","-P 2yn","14","03192","","","- C33 H42 Cu N3 -","- C33 H42 Cu N3 -","- C132 H168 Cu4 N12 -","4","1","","Eric C. Brown; Nermeen W. Aboelella; Anne M. Reynolds; Gabriel Aullón; Santiago Alvarez; William B. Tolman","A New Class of (μ-η2:η2-Disulfido)dicopper Complexes: Synthesis, Characterization, and Disulfido Exchange","Inorganic Chemistry","2004","43","","3335","3337","10.1021/ic049811k","","","0.71073","MoKα","","0.1132","0.0552","","","0.1081","0.1314","","","","","","1.093","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311065","9.868","0.002","13.099","0.003","14.506","0.003","66.302","0.004","74.766","0.004","68.562","0.004","1583.3","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","03252m","","","- C33.5 H45 Cl Cu N2 -","- C33.5 H45 Cl Cu N2 -","- C67 H90 Cl2 Cu2 N4 -","2","1","","Eric C. Brown; Nermeen W. Aboelella; Anne M. Reynolds; Gabriel Aullón; Santiago Alvarez; William B. Tolman","A New Class of (μ-η2:η2-Disulfido)dicopper Complexes: Synthesis, Characterization, and Disulfido Exchange","Inorganic Chemistry","2004","43","","3335","3337","10.1021/ic049811k","","","0.71073","MoKα","","0.0489","0.0355","","","0.0913","0.0976","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311066","14.379","0.005","24.551","0.008","9.36","0.003","90","","102","0.006","90","","3232.1","1.9","173","2","173","2","","","","","","","Eric C. Brown","5","P 1 21/c 1","-P 2ybc","14","03199","","","- C69 H93 Cu2 N5 S2 -","- C62 H78 Cu2 N4 S2 -","- C124 H156 Cu4 N8 S4 -","2","0.5","","Eric C. Brown; Nermeen W. Aboelella; Anne M. Reynolds; Gabriel Aullón; Santiago Alvarez; William B. Tolman","A New Class of (μ-η2:η2-Disulfido)dicopper Complexes: Synthesis, Characterization, and Disulfido Exchange","Inorganic Chemistry","2004","43","","3335","3337","10.1021/ic049811k","","","0.71073","MoKα","","0.1469","0.0785","","","0.1764","0.1961","","","","","","1.012","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311067","13.7185","0.0009","11.9484","0.0008","15.2081","0.001","90","","108.831","0.001","90","","2359.4","0.3","173","2","173","2","","","","","","","Nermeen Aboelella","5","P 1 21/n 1","-P 2yn","14","01182","","","- C50 H66 Cu2 N4 S2 -","- C50 H66 Cu2 N4 S2 -","- C100 H132 Cu4 N8 S4 -","2","0.5","","Eric C. Brown; Nermeen W. Aboelella; Anne M. Reynolds; Gabriel Aullón; Santiago Alvarez; William B. Tolman","A New Class of (μ-η2:η2-Disulfido)dicopper Complexes: Synthesis, Characterization, and Disulfido Exchange","Inorganic Chemistry","2004","43","","3335","3337","10.1021/ic049811k","","","0.71073","MoKα","","0.0348","0.0313","","","0.0922","0.0946","","","","","","1.078","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311068","14.292","0.003","15.018","0.003","23.592","0.005","86.767","0.003","87.384","0.003","85.894","0.004","5038.3","1.8","173","2","173","2","","","","","","","Eric C. Brown","5","P -1","-P 1","2","03114","","","- C105 H144 Cu4 N8 S4 -","- C100 H132 Cu4 N8 S4 -","- C200 H264 Cu8 N16 S8 -","2","1","","Eric C. Brown; Nermeen W. Aboelella; Anne M. Reynolds; Gabriel Aullón; Santiago Alvarez; William B. Tolman","A New Class of (μ-η2:η2-Disulfido)dicopper Complexes: Synthesis, Characterization, and Disulfido Exchange","Inorganic Chemistry","2004","43","","3335","3337","10.1021/ic049811k","","","0.71073","MoKα","","0.1091","0.0614","","","0.1465","0.1635","","","","","","1.001","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311069","8.0275","0.0001","9.586","0.0001","21.2344","0.0004","90","","95.635","0.001","90","","1626.13","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 B7 Fe N -","- C13 H22 B7 Fe N -","- C52 H88 B28 Fe4 N4 -","4","1","","Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Syntheses of Functionalized Ferratricarbadecaboranyl Complexes","Inorganic Chemistry","2004","43","","3467","3474","10.1021/ic049827a","","","0.71069","MoKα","","0.0437","0.039","","0.0867","0.0844","","","","1.104","1.116","1.116","","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311070","13.0327","0.0003","7.7587","0.0001","22.675","0.0006","90","","100.783","0.001","90","","2252.34","0.08","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 B7 Br Fe O Si -","- C18 H28 B7 Br Fe O Si -","- C72 H112 B28 Br4 Fe4 O4 Si4 -","4","1","","Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Syntheses of Functionalized Ferratricarbadecaboranyl Complexes","Inorganic Chemistry","2004","43","","3467","3474","10.1021/ic049827a","","","0.71069","MoKα","","0.0563","0.0481","","0.0877","0.0843","","","","1.168","1.182","1.182","","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311071","12.8071","0.0001","6.5162","0.0001","21.0254","0.0002","90","","95.785","0.001","90","","1745.71","0.03","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 B8 Fe N -","- C12 H27 B8 Fe N -","- C48 H108 B32 Fe4 N4 -","4","1","","Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Syntheses of Functionalized Ferratricarbadecaboranyl Complexes","Inorganic Chemistry","2004","43","","3467","3474","10.1021/ic049827a","","","0.71069","MoKα","","0.0451","0.0417","","0.0965","0.0944","","","","1.13","1.141","1.141","","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311072","11.304","0.002","13.901","0.003","7.5662","0.0014","105.688","0.008","109.808","0.013","100.349","0.015","1027.5","0.4","200","2","200","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H25 B7 Fe -","- C22 H25 B7 Fe -","- C44 H50 B14 Fe2 -","2","2","","Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Syntheses of Functionalized Ferratricarbadecaboranyl Complexes","Inorganic Chemistry","2004","43","","3467","3474","10.1021/ic049827a","","","0.71069","MoKα","","0.0666","0.0607","","0.1616","0.1547","","","","1.081","1.082","1.082","","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311073","13.904","0.004","22.851","0.006","27.277","0.008","83.949","0.006","88.167","0.006","89.857","0.007","8614","4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.5 H111 Cl Mn6 N2 O25.5 -","- C64.5 H111 Cl Mn6 N2 O25.5 -","- C258 H444 Cl4 Mn24 N8 O102 -","4","2","","Victor Ovcharenko; Elena Fursova; Galina Romanenko; Vladimir Ikorskii","Synthesis and Structure of Heterospin Compounds Based on the [Mn6(O)2Piv10]- Cluster Unit and Nitroxide","Inorganic Chemistry","2004","43","","3332","3334","10.1021/ic049859y","","","0.71073","MoKα","","0.2489","0.0914","","","0.1861","0.2544","","","","","","0.831","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311074","24.5993","0.0015","13.6341","0.0008","52.568","0.003","90","","91.289","0.001","90","","17626.3","1.8","568","2","568","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H121.5 Mn6 N O29 -","- C66 H121.5 Mn6 N O29 -","- C528 H972 Mn48 N8 O232 -","8","1","","Victor Ovcharenko; Elena Fursova; Galina Romanenko; Vladimir Ikorskii","Synthesis and Structure of Heterospin Compounds Based on the [Mn6(O)2Piv10]- Cluster Unit and Nitroxide","Inorganic Chemistry","2004","43","","3332","3334","10.1021/ic049859y","","","0.71073","MoKα","","0.1363","0.07","","","0.129","0.1491","","","","","","0.913","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311075","27.476","0.004","27.476","0.004","66.576","0.008","90","","90","","120","","43527","10","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C66 H120 Mn6 N4 O26 -","- C66 H120 Mn6 N4 O26 -","- C1188 H2160 Mn108 N72 O468 -","18","0.5","","Victor Ovcharenko; Elena Fursova; Galina Romanenko; Vladimir Ikorskii","Synthesis and Structure of Heterospin Compounds Based on the [Mn6(O)2Piv10]- Cluster Unit and Nitroxide","Inorganic Chemistry","2004","43","","3332","3334","10.1021/ic049859y","","","0.71073","MoKα","","0.0917","0.057","","","0.1572","0.1816","","","","","","0.747","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311076","14.231","0.002","23.048","0.004","27.494","0.005","90","","90","","90","","9018","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C68 H110 Mn6 O27 -","- C68 H118 Mn6 O27 -","- C272 H472 Mn24 O108 -","4","0.5","","Victor Ovcharenko; Elena Fursova; Galina Romanenko; Vladimir Ikorskii","Synthesis and Structure of Heterospin Compounds Based on the [Mn6(O)2Piv10]- Cluster Unit and Nitroxide","Inorganic Chemistry","2004","43","","3332","3334","10.1021/ic049859y","","","0.71073","MoKα","","0.0426","0.0359","","","0.1023","0.1092","","","","","","0.93","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311077","54.4811","0.0002","16.0616","0.0003","30.1341","0.0005","90","","107.98","","90","","25081.2","0.6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C132 H110 Ag4 Cl2 Cu2 N6 O8 P8 -","- C132 H104 Ag4 Cl2 Cu2 N6 O8 P8 -","- C1056 H832 Ag32 Cl16 Cu16 N48 O64 P64 -","8","1","","Qiao-Hua Wei; Gang-Qiang Yin; Li-Yi Zhang; Lin-Xi Shi; Zong-Wan Mao; Zhong-Ning Chen","Luminescent AgI-CuI Heterometallic Hexa-, Octa-, and Hexadecanuclear Alkynyl Complexes","Inorganic Chemistry","2004","43","","3484","3491","10.1021/ic0499244","","","0.71073","MoKα","","0.1214","0.076","","","0.1762","0.2178","","","","","","1.262","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311078","15.4263","0.0003","17.21","0.0003","26.7899","0.0005","103.52","","90.287","0.001","91.4","","6912.8","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C140 H126 Ag4 Cl2 Cu2 N7 O9.5 P8 -","- C140 H126 Ag4 Cl2 Cu2 N7 O9.5 P8 -","- C280 H252 Ag8 Cl4 Cu4 N14 O19 P16 -","2","1","","Qiao-Hua Wei; Gang-Qiang Yin; Li-Yi Zhang; Lin-Xi Shi; Zong-Wan Mao; Zhong-Ning Chen","Luminescent AgI-CuI Heterometallic Hexa-, Octa-, and Hexadecanuclear Alkynyl Complexes","Inorganic Chemistry","2004","43","","3484","3491","10.1021/ic0499244","","","0.71073","MoKα","","0.0948","0.0655","","","0.1574","0.1884","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311079","11.9077","0.0002","33.3697","0.0004","28.8849","0.0002","90","","96.05","0.001","90","","11413.7","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C125 H99 Ag6 Cl2 Cu2 N O8 P6 -","- C125 H99 Ag6 Cl2 Cu2 N O8 P6 -","- C500 H396 Ag24 Cl8 Cu8 N4 O32 P24 -","4","1","","Qiao-Hua Wei; Gang-Qiang Yin; Li-Yi Zhang; Lin-Xi Shi; Zong-Wan Mao; Zhong-Ning Chen","Luminescent AgI-CuI Heterometallic Hexa-, Octa-, and Hexadecanuclear Alkynyl Complexes","Inorganic Chemistry","2004","43","","3484","3491","10.1021/ic0499244","","","0.71073","MoKα","","0.1246","0.0765","","","0.1555","0.1849","","","","","","1.32","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311080","15.6499","0.0004","17.0264","0.0004","27.1874","0.0008","84.185","0.001","89.496","0.001","69.957","0.001","6768","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C126 H98.5 Ag6 Cl2 Cu2 N7.5 O22 P6 -","- C126 H94.5 Ag6 Cl2 Cu2 N7.5 O22 P6 -","- C252 H189 Ag12 Cl4 Cu4 N15 O44 P12 -","2","1","","Qiao-Hua Wei; Gang-Qiang Yin; Li-Yi Zhang; Lin-Xi Shi; Zong-Wan Mao; Zhong-Ning Chen","Luminescent AgI-CuI Heterometallic Hexa-, Octa-, and Hexadecanuclear Alkynyl Complexes","Inorganic Chemistry","2004","43","","3484","3491","10.1021/ic0499244","","","0.71073","MoKα","","0.1415","0.0893","","","0.2116","0.2705","","","","","","1.215","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311081","15.44","0.007","17.12","0.008","26.736","0.012","93.457","0.006","91.477","0.004","109.051","0.006","6660","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C213.5 H120 Ag6 Cl2 Cu2 N0 O17 P6 -","- C139 H118 Ag6 Cl2 Cu2 O17 P6 -","- C278 H236 Ag12 Cl4 Cu4 O34 P12 -","2","1","","Qiao-Hua Wei; Gang-Qiang Yin; Li-Yi Zhang; Lin-Xi Shi; Zong-Wan Mao; Zhong-Ning Chen","Luminescent AgI-CuI Heterometallic Hexa-, Octa-, and Hexadecanuclear Alkynyl Complexes","Inorganic Chemistry","2004","43","","3484","3491","10.1021/ic0499244","","","0.71073","MoKα","","0.088","0.0636","","","0.1684","0.1953","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311082","9.0356","0.0005","9.6154","0.0006","9.9363","0.0006","80.406","0.001","78.115","0.001","78.794","0.001","821.42","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(mu2-trifluoroacetateo-O,O')-di(bismuth(II,II)) -di(1,4-dimethylbenzene)","","- C24 H20 Bi2 F12 O8 -","- C24 H20 Bi2 F12 O8 -","- C24 H20 Bi2 F12 O8 -","1","0.5","","Evgeny V. Dikarev; Bo Li","Rational Syntheses, Structure, and Properties of the First Bismuth(II) Carboxylate","Inorganic Chemistry","2004","43","","3461","3466","10.1021/ic049937h","","","0.71073","MoKα","","0.0258","0.023","","","0.0544","0.0555","","","","","","1.046","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311083","8.249","0.0004","14.8699","0.0008","22.0331","0.0012","90","","98.597","0.001","90","","2672.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bismuth(II) trifluoroacetate","tetrakis(mu2-trifluoroacetateo-O,O')-di(bismuth(II,II))","","- C8 Bi2 F12 O8 -","- C8 Bi2 F12 O8 -","- C48 Bi12 F72 O48 -","6","1.5","","Evgeny V. Dikarev; Bo Li","Rational Syntheses, Structure, and Properties of the First Bismuth(II) Carboxylate","Inorganic Chemistry","2004","43","","3461","3466","10.1021/ic049937h","","","0.71073","MoKα","","0.0302","0.0236","","","0.0534","0.0552","","","","","","1.022","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311084","8.1792","0.0006","14.8836","0.0012","21.7639","0.0017","90","","98.41","0.001","90","","2621","0.4","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bismuth(II) trifluoroacetate","tetrakis(mu2-trifluoroacetateo-O,O')-di(bismuth(II,II))","","- C8 Bi2 F12 O8 -","- C8 Bi2 F12 O8 -","- C48 Bi12 F72 O48 -","6","1.5","","Evgeny V. Dikarev; Bo Li","Rational Syntheses, Structure, and Properties of the First Bismuth(II) Carboxylate","Inorganic Chemistry","2004","43","","3461","3466","10.1021/ic049937h","","","0.71073","MoKα","","0.0286","0.0236","","","0.056","0.0575","","","","","","1.042","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311085","11.873","0.0009","14.4229","0.001","13.7818","0.001","90","","90.451","0.001","90","","2360","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena-(tetrakis(mu2-trifluoroacetateo-O,O') -di(bismuth(II,II))-toluene)","","- C15 H8 Bi2 F12 O8 -","- C15 H8 Bi2 F11.94 O8 -","- C60 H32 Bi8 F47.76 O32 -","4","0.5","","Evgeny V. Dikarev; Bo Li","Rational Syntheses, Structure, and Properties of the First Bismuth(II) Carboxylate","Inorganic Chemistry","2004","43","","3461","3466","10.1021/ic049937h","","","0.71073","MoKα","","0.0549","0.0481","","","0.0881","0.0904","","","","","","1.232","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311086","12.251","0.003","12.251","0.003","11.514","0.004","90","","90","","120","","1496.6","0.7","190","2","190","2","","","","","","","","4","P 63","P 6c","173","","tris(1'-methyl(1,2-dicarba-closo- dodecaboran-1-yl))phosphine","","- C9 H39 B30 P -","- C9 H39 B30 P -","- C18 H78 B60 P2 -","2","0.333333","","Arienne S. King; George Ferguson; James F. Britten; John F. Valliant","Sterically Hindered and Robust Pnictogen Ligands Derived from Carboranes: Synthesis and X-ray Structure Determination of Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine, Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))arsine and Chloro(Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine)gold(I)","Inorganic Chemistry","2004","43","","3507","3513","10.1021/ic049947i","","","0.71073","MoKα","","0.0846","0.0568","","","0.1216","0.1318","","","","","","1.09","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311087","12.33","0.003","12.33","0.003","11.474","0.004","90","","90","","120","","1510.7","0.7","190","2","190","2","","","","","","","","4","P 63","P 6c","173","","tris(1'-methyl(1,2-dicarba-closo- dodecaboran-1-yl))arsine","","- C9 H39 As B30 -","- C9.006 H39 As1.002 B30 -","- C18.012 H78 As2.004 B60 -","2","0.333333","","Arienne S. King; George Ferguson; James F. Britten; John F. Valliant","Sterically Hindered and Robust Pnictogen Ligands Derived from Carboranes: Synthesis and X-ray Structure Determination of Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine, Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))arsine and Chloro(Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine)gold(I)","Inorganic Chemistry","2004","43","","3507","3513","10.1021/ic049947i","","","0.71073","MoKα","","0.0977","0.093","","","0.245","0.2481","","","","","","1.122","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311088","19.101","0.004","12.167","0.002","13.846","0.003","90","","91.13","0.03","90","","3217.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","chloro(tris(1'-methyl(1,2-dicarba-closo- dodecaboran-1-yl))phosphine)gold (I)","","- C9 H39 Au B30 Cl P -","- C9 H39 Au B30 Cl P -","- C36 H156 Au4 B120 Cl4 P4 -","4","1","","Arienne S. King; George Ferguson; James F. Britten; John F. Valliant","Sterically Hindered and Robust Pnictogen Ligands Derived from Carboranes: Synthesis and X-ray Structure Determination of Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine, Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))arsine and Chloro(Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine)gold(I)","Inorganic Chemistry","2004","43","","3507","3513","10.1021/ic049947i","","","0.71073","MoKα","","0.0702","0.0396","","","0.0609","0.0668","","","","","","1.035","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311089","9.6962","0.0019","11.259","0.002","11.964","0.002","67.49","0.03","77.62","0.03","69.99","0.03","1128.5","0.5","84","2","84","2","","","","","","","","6","P -1","-P 1","2","[(Me-triazoliumCH2)2Fec][I]2 + H2O","","","- C18 H24 Fe I2 N6 O -","- C18 H24 Fe I2 N6 O -","- C36 H48 Fe2 I4 N12 O2 -","2","1","","Ye Gao; Brendan Twamley; Jeanne M. Shreeve","The First (Ferrocenylmethyl)imidazolium and (Ferrocenylmethyl)triazolium Room Temperature Ionic Liquids","Inorganic Chemistry","2004","43","","3406","3412","10.1021/ic049961v","","","0.71073","MoKα","","0.0776","0.0514","","","0.1047","0.1123","","","","","","1.058","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311090","7.9312","0.0016","9.5198","0.0019","10.575","0.002","97.2","0.03","111.68","0.03","113.93","0.03","641.6","0.4","84","2","84","2","","","","","","","","6","P -1","-P 1","2","[Fec(CH2-dimethylimidazolium)2][PF6]2","","","- C22 H28 F12 Fe N4 P2 -","- C22 H28 F12 Fe N4 P2 -","- C22 H28 F12 Fe N4 P2 -","1","0.5","","Ye Gao; Brendan Twamley; Jeanne M. Shreeve","The First (Ferrocenylmethyl)imidazolium and (Ferrocenylmethyl)triazolium Room Temperature Ionic Liquids","Inorganic Chemistry","2004","43","","3406","3412","10.1021/ic049961v","","","0.71073","MoKα","","0.0529","0.0454","","","0.101","0.1047","","","","","","1.126","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311091","25.267","0.0004","20.2672","0.0004","26.9231","0.0004","90","","90.02","","90","","13787.1","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C132.25 H116.5 Ag6 Cl2.5 Cu2 N O10 P6 -","- C132.25 H110.5 Ag6 Cl2.5 Cu2 N O10 P6 -","- C529 H442 Ag24 Cl10 Cu8 N4 O40 P24 -","4","1","","Qiao-Hua Wei; Gang-Qiang Yin; Li-Yi Zhang; Lin-Xi Shi; Zong-Wan Mao; Zhong-Ning Chen","Luminescent AgI-CuI Heterometallic Hexa-, Octa-, and Hexadecanuclear Alkynyl Complexes","Inorganic Chemistry","2004","43","","3484","3491","10.1021/ic0499244","","","0.71073","MoKα","","0.1487","0.0879","","","0.222","0.2945","","","","","","1.229","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311092","6.6688","0.0013","10.048","0.002","17.68","0.004","90","","90","","90","","1184.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs O6 S V -","- Cs O6 S V -","- Cs8 O48 S8 V8 -","8","1","","S. B. Rasmussen; S. Boghosian; K. Nielsen; K. M. Eriksen; R. Fehrmann","Crystal Structure and Spectroscopic Properties of CsVO2SO4","Inorganic Chemistry","2004","43","","3697","3701","10.1021/ic030314y","","","0.71073","MoKα","","0.0271","0.0194","","0.0551","0.0526","","","","1.07","1.164","1.164","","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311093","8.4511","0.0004","10.6848","0.0004","8.7458","0.0005","90","","118.143","0.002","90","","696.36","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H6 Cl4 O2 P2 -","- C10 H6 Cl4 O2 P2 -","- C20 H12 Cl8 O4 P4 -","2","1","","Sabine Weinrich; Holger Piotrowski; Martin Vogt; Axel Schulz; Matthias Westerhausen","Dimeric (Tris(tert-butyl)silyl)phosphanyl (Tris(tert-butyl)silyl)phosphanediyl Gallane: A Molecule with a Ga-P-Ga Heteroallyl System","Inorganic Chemistry","2004","43","","3756","3762","10.1021/ic0303284","","","0.71073","MoKα","","0.0519","0.0449","","","0.1103","0.1146","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311094","9.4655","0.0013","16.035","0.002","8.8593","0.0013","90","","95.151","0.002","90","","1339.2","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl4 O P2 -","- C10 H6 Cl4 O P2 -","- C40 H24 Cl16 O4 P8 -","4","1","","Sabine Weinrich; Holger Piotrowski; Martin Vogt; Axel Schulz; Matthias Westerhausen","Dimeric (Tris(tert-butyl)silyl)phosphanyl (Tris(tert-butyl)silyl)phosphanediyl Gallane: A Molecule with a Ga-P-Ga Heteroallyl System","Inorganic Chemistry","2004","43","","3756","3762","10.1021/ic0303284","","","0.71073","MoKα","","0.064","0.0429","","","0.0971","0.1045","","","","","","0.968","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311095","7.157","0.005","12.363","0.009","14.69","0.01","109.05","0.011","90.524","0.012","90.62","0.013","1228.4","1.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cs2 O6 P4 -","- C22 H20 Cs2 O6 P4 -","- C44 H40 Cs4 O12 P8 -","2","1","","Sabine Weinrich; Holger Piotrowski; Martin Vogt; Axel Schulz; Matthias Westerhausen","Dimeric (Tris(tert-butyl)silyl)phosphanyl (Tris(tert-butyl)silyl)phosphanediyl Gallane: A Molecule with a Ga-P-Ga Heteroallyl System","Inorganic Chemistry","2004","43","","3756","3762","10.1021/ic0303284","","","0.71073","MoKα","","0.0652","0.0481","","","0.1094","0.1163","","","","","","0.972","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311096","18.9201","0.0019","13.3663","0.0012","28.588","0.004","90","","95.691","0.007","90","","7194","1.4","136","2","136","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H30 B F34 N3 Pt -","- C63 H30 B F34 N3 Pt -","- C252 H120 B4 F136 N12 Pt4 -","4","1","","Andrei N. Vedernikov; Maren Pink; Kenneth G. Caulton","Hydrocarbyl Ligand ""Tuning"" of the PtII/IV Redox Potential","Inorganic Chemistry","2004","43","","3642","3646","10.1021/ic034731m","","","0.71073","MoKα","","0.0476","0.0375","","","0.0909","0.0949","","","","","","1.065","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311097","46.976","0.002","46.976","0.002","22.8013","0.0011","90","","90","","120","","43575","3","133","2","133","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","MSU4S","","","- C93 H144 Cl60 Mo6 N12 O21 -","- C76.5 H111 Cl27 Mo6 N12 O21 -","- C918 H1332 Cl324 Mo72 N144 O252 -","12","1","","Françoise Conan; Benoît Le Gall; Jean-Michel Kerbaol; Sylvie Le Stang; Jean Sala Pala; Yves Le Mest; John Bacsa; Xiang Ouyang; Kim R. Dunbar; Charles F. Campana","Electrochemical, Spectroscopic, and Structural Evidence for the Mild Hydrolysis of Tetracyanoethylene, TCNE, To Form the 2,3,3-Tricyanoacrylamidate Ligand: Isolation of an Unexpected Quadruply-Bonded Polymeric Material [Mo2(O2CCMe3)3((NC)2CC(CN)CONH)]\ιnfty","Inorganic Chemistry","2004","43","","3673","3681","10.1021/ic0351186","","","0.71073","MoKα","","0.1852","0.1581","","","0.3054","0.315","","","","","","1.0204","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311098","30.855","0.004","11.1126","0.0013","17.964","0.002","90","","105.111","0.002","90","","5946.5","1.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sxo53","","","- C27 H34 Mo2 N4 O7 -","- C24.432 H31 Mo2 N3.998 O6.998 -","- C195.456 H248 Mo16 N31.984 O55.984 -","8","1","","Françoise Conan; Benoît Le Gall; Jean-Michel Kerbaol; Sylvie Le Stang; Jean Sala Pala; Yves Le Mest; John Bacsa; Xiang Ouyang; Kim R. Dunbar; Charles F. Campana","Electrochemical, Spectroscopic, and Structural Evidence for the Mild Hydrolysis of Tetracyanoethylene, TCNE, To Form the 2,3,3-Tricyanoacrylamidate Ligand: Isolation of an Unexpected Quadruply-Bonded Polymeric Material [Mo2(O2CCMe3)3((NC)2CC(CN)CONH)]\ιnfty","Inorganic Chemistry","2004","43","","3673","3681","10.1021/ic0351186","","","0.71073","MoKα","","0.2299","0.1001","","","0.149","0.1887","","","","","","1.027","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311099","15.4323","0.001","15.4323","0.001","29.624","0.002","90","","90","","120","","6109.9","0.7","133","2","133","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H108 Al8 I6 N2 Si6 -","- C54 H108 Al8 I6 N2 Si6 -","- C162 H324 Al24 I18 N6 Si18 -","3","0.166667","","Andreas Stasch; Herbert W. Roesky; Denis Vidovic; Jörg Magull; Hans-Georg Schmidt; Mathias Noltemeyer","Synthesis of Carbaalane Halogen Derivatives","Inorganic Chemistry","2004","43","","3625","3630","10.1021/ic035460i","","","0.71073","MoKα","","0.0168","0.0153","","","0.0374","0.038","","","","","","1.089","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311100","15.732","0.003","12.9036","0.0017","21.286","0.007","90","","90.59","0.02","90","","4320.8","1.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H122 Al8 Br2.38 Cl1.62 N2 Si6 -","- C63 H122 Al8 Br2.38 Cl1.62 N2 Si6 -","- C126 H244 Al16 Br4.76 Cl3.24 N4 Si12 -","2","0.5","","Andreas Stasch; Herbert W. Roesky; Denis Vidovic; Jörg Magull; Hans-Georg Schmidt; Mathias Noltemeyer","Synthesis of Carbaalane Halogen Derivatives","Inorganic Chemistry","2004","43","","3625","3630","10.1021/ic035460i","","","0.71073","MoKα","","0.1259","0.0633","","","0.1198","0.1467","","","","","","1.039","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311101","11.642","0.002","31.9","0.006","11.986","0.002","90","","102.75","0.03","90","","4341.6","1.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H108 Al8 F6 N2 -","- C96 H108 Al8 F6 N2 -","- C192 H216 Al16 F12 N4 -","2","0.5","","Andreas Stasch; Herbert W. Roesky; Denis Vidovic; Jörg Magull; Hans-Georg Schmidt; Mathias Noltemeyer","Synthesis of Carbaalane Halogen Derivatives","Inorganic Chemistry","2004","43","","3625","3630","10.1021/ic035460i","","","0.71073","MoKα","","0.1282","0.0587","","","0.0841","0.0946","","","","","","0.956","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311102","11.822","0.002","15.823","0.003","21.216","0.004","90","","95.55","0.03","90","","3950.1","1.3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H92 Al8 Br6 N2 -","- C82 H92 Al8 Br6 N2 -","- C164 H184 Al16 Br12 N4 -","2","0.5","","Andreas Stasch; Herbert W. Roesky; Denis Vidovic; Jörg Magull; Hans-Georg Schmidt; Mathias Noltemeyer","Synthesis of Carbaalane Halogen Derivatives","Inorganic Chemistry","2004","43","","3625","3630","10.1021/ic035460i","","","0.71073","MoKα","","0.113","0.0768","","","0.1826","0.2019","","","","","","1.029","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311103","13.1764","0.0009","13.4184","0.0009","14.9293","0.001","65.399","0.001","71.356","0.001","78.93","0.001","2268.7","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Compound 3a","Phthalocyaninato tinIV bis(decanoate)2","","- C52 H54 Cl0 N8 O4 Sn -","- C52 H54 N8 O4 Sn -","- C104 H108 N16 O8 Sn2 -","2","1","","Hiram I. Beltrán; Raquel Esquivel; Arturo Sosa-Sánchez; Jose L. Sosa-Sánchez; Herbert Höpfl; Victor Barba; Norberto Farfán; Mónica Galicia García; Octavio Olivares-Xometl; Luis S. Zamudio-Rivera","Microwave Assisted Stereoselective Synthesis of Cis-Substituted TinIV Phthalocyanine Dicarboxylates. Application as Corrosion Inhibitors","Inorganic Chemistry","2004","43","","3555","3557","10.1021/ic049634n","","","0.71073","MoKα","","0.0423","0.0372","","","0.0831","0.0859","","","","","","1.036","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311104","9.559","0.005","11.67","0.005","25.913","0.005","81.983","0.005","89.708","0.005","73.359","0.005","2740.7","1.9","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Compound 3b","Phthalocyaninato tinIV bis(tetradecanoate)2","","- C60 H70 N8 O4 Sn -","- C60 H70 N8 O4 Sn -","- C120 H140 N16 O8 Sn2 -","2","1","","Hiram I. Beltrán; Raquel Esquivel; Arturo Sosa-Sánchez; Jose L. Sosa-Sánchez; Herbert Höpfl; Victor Barba; Norberto Farfán; Mónica Galicia García; Octavio Olivares-Xometl; Luis S. Zamudio-Rivera","Microwave Assisted Stereoselective Synthesis of Cis-Substituted TinIV Phthalocyanine Dicarboxylates. Application as Corrosion Inhibitors","Inorganic Chemistry","2004","43","","3555","3557","10.1021/ic049634n","","x-ray","0.71069","MoKα","","0.1042","0.0695","","","0.1428","0.1582","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311105","34.184","0.01","5.4758","0.0017","15.64","0.005","90","","90","","90","","2927.6","1.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H39 Br3 N4 -","- C27 H39 Br3 N4 -","- C108 H156 Br12 N16 -","4","1","","Md. Alamgir Hossain; Jennifer Ann Liljegren; Douglas Powell; Kristin Bowman-James","Anion Binding with a Tripodal Amine","Inorganic Chemistry","2004","43","","3751","3755","10.1021/ic049762b","","","0.71073","MoKα","","0.1252","0.0981","","","0.2488","0.2769","","","","","","1.09","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311106","15.1148","0.0017","27.117","0.003","8.9168","0.001","90","","95.783","0.002","90","","3636.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H48 N4 O16 P4 -","- C27 H39 N4 O16 P4 -","- C108 H156 N16 O64 P16 -","4","1","","Md. Alamgir Hossain; Jennifer Ann Liljegren; Douglas Powell; Kristin Bowman-James","Anion Binding with a Tripodal Amine","Inorganic Chemistry","2004","43","","3751","3755","10.1021/ic049762b","","","0.71073","MoKα","","0.1279","0.0771","","","0.2022","0.2371","","","","","","1.033","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311107","11.637","0.002","12.429","0.003","14.026","0.003","72.11","0.03","72.12","0.03","84.09","0.03","1837.3","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","bis{bis(triphenylphosphineoxide}hydrogen} decachloroditellurate","","- C36 H31 Cl5 O2 P2 Te -","- C36 H31 Cl5 O2 P2 Te -","- C72 H62 Cl10 O4 P4 Te2 -","2","1","","Sari M. Närhi; Raija Oilunkaniemi; Risto S. Laitinen; Markku Ahlgrén","The Reactions of Tellurium Tetrahalides with Triphenylphosphine under Ambient Conditions","Inorganic Chemistry","2004","43","","3742","3750","10.1021/ic049789v","","","0.71073","MoKα","","0.0578","0.0452","","","0.1167","0.1254","","","","","","1.013","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311108","11.837","0.002","12.509","0.003","14.069","0.003","71.9","0.03","72.5","0.03","83.07","0.03","1887.6","0.8","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","bis{bis(triphenylphosphineoxide)hydrogen} decabromoditellurate","","- C36 H31 Br5 O2 P2 Te -","- C36 H31 Br5 O2 P2 Te -","- C72 H62 Br10 O4 P4 Te2 -","2","1","","Sari M. Närhi; Raija Oilunkaniemi; Risto S. Laitinen; Markku Ahlgrén","The Reactions of Tellurium Tetrahalides with Triphenylphosphine under Ambient Conditions","Inorganic Chemistry","2004","43","","3742","3750","10.1021/ic049789v","","","0.71073","MoKα","","0.0371","0.0277","","","0.0704","0.0753","","","","","","0.985","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311109","18.4455","0.0002","32.3444","0.0004","17.4516","0.0002","90","","90","","90","","10411.8","0.2","150","2","150","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","bis{tris(triphenylphosphineoxide)oxonium} hexaiodotellurate","","- C108 H96 I6 O8 P6 Te -","- C108 H90 I6 O8 P6 Te -","- C432 H360 I24 O32 P24 Te4 -","4","1","","Sari M. Närhi; Raija Oilunkaniemi; Risto S. Laitinen; Markku Ahlgrén","The Reactions of Tellurium Tetrahalides with Triphenylphosphine under Ambient Conditions","Inorganic Chemistry","2004","43","","3742","3750","10.1021/ic049789v","","","0.71073","MoKα","","0.0926","0.0473","","","0.0775","0.0892","","","","","","0.979","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311110","12.515","0.003","10.232","0.002","13.813","0.003","90","","90.71","0.03","90","","1768.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,2,3,4,5-hexahydro-1,1-diiodotellurophene","","- C4 H8 I2 Te -","- C4 H8 I2 Te -","- C32 H64 I16 Te8 -","8","2","","Sari M. Närhi; Raija Oilunkaniemi; Risto S. Laitinen; Markku Ahlgrén","The Reactions of Tellurium Tetrahalides with Triphenylphosphine under Ambient Conditions","Inorganic Chemistry","2004","43","","3742","3750","10.1021/ic049789v","","","0.71073","MoKα","","0.04","0.0336","","","0.0821","0.0843","","","","","","1.18","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311111","9.86","0.005","18.785","0.005","9.639","0.005","90","0.005","93.972","0.005","90","0.005","1781","1.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,2,3,4,5-hexahydro-1,1-diiodotellurophene","","- C4 H8 I2 Te -","- C4 H8 I2 Te -","- C32 H64 I16 Te8 -","8","2","","Sari M. Närhi; Raija Oilunkaniemi; Risto S. Laitinen; Markku Ahlgrén","The Reactions of Tellurium Tetrahalides with Triphenylphosphine under Ambient Conditions","Inorganic Chemistry","2004","43","","3742","3750","10.1021/ic049789v","","","0.71073","MoKα","","0.034","0.029","","","0.0677","0.0705","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311112","9.3867","0.0019","9.5926","0.0019","19.369","0.004","90","","94.46","0.03","90","","1738.8","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 I6 Te2 -","- C4 H8 I6 Te2 -","- C16 H32 I24 Te8 -","4","1","","Sari M. Närhi; Raija Oilunkaniemi; Risto S. Laitinen; Markku Ahlgrén","The Reactions of Tellurium Tetrahalides with Triphenylphosphine under Ambient Conditions","Inorganic Chemistry","2004","43","","3742","3750","10.1021/ic049789v","","","0.71073","MoKα","","0.0346","0.0286","","","0.0691","0.0708","","","","","","1.163","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311113","9.5886","0.0019","19.365","0.004","9.6155","0.0019","90","","98.64","0.03","90","","1765.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 I6 Te2 -","- C4 H8 I6 Te2 -","- C16 H32 I24 Te8 -","4","1","","Sari M. Närhi; Raija Oilunkaniemi; Risto S. Laitinen; Markku Ahlgrén","The Reactions of Tellurium Tetrahalides with Triphenylphosphine under Ambient Conditions","Inorganic Chemistry","2004","43","","3742","3750","10.1021/ic049789v","","","0.71073","MoKα","","0.0567","0.0544","","","0.1424","0.1437","","","","","","1.239","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311114","21.0389","0.0013","16.3854","0.001","14.2619","0.0009","90","","126.897","0.001","90","","3931.8","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(bis(tert-butylamino)phenylborane)ditungsten(iii)","","- C36 H57 B3 N6 W2 -","- C36 H57 B3 N6 W2 -","- C144 H228 B12 N24 W8 -","4","0.5","","David R. Manke; Zhi-Heng Loh; Daniel G. Nocera","Eclipsed M2X6 Compounds Exhibiting Very Short Metal-Metal Triple Bonds","Inorganic Chemistry","2004","43","","3618","3624","10.1021/ic049795r","","","0.71073","MoKα","","0.0498","0.049","","","0.1278","0.1283","","","","","","1.28","","","","has coordinates","201211","2020-10-21","18:00:00",""
"4311115","19.7976","0.0014","9.4329","0.0006","23.6392","0.0016","90","","114.356","0.001","90","","4021.7","0.5","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris[bis(ethylamido)phenylborane]dimolybdenum(iii)","","- C36 H59 B3 Mo2 N6 -","- C36 H59 B3 Mo2 N6 -","- C144 H236 B12 Mo8 N24 -","4","1","","David R. Manke; Zhi-Heng Loh; Daniel G. Nocera","Eclipsed M2X6 Compounds Exhibiting Very Short Metal-Metal Triple Bonds","Inorganic Chemistry","2004","43","","3618","3624","10.1021/ic049795r","","","0.71073","MoKα","","0.0651","0.0457","","","0.1222","0.1309","","","","","","1.014","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311116","7.3475","0.0002","15.1122","0.0003","13.7108","0.0003","90","","95.194","0.001","90","","1516.15","0.06","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silver di(acetonitrile) monocarbaborane","","","- C5 H18 Ag B11 N2 -","- C4.96 H18 Ag B11.04 N2 -","- C19.84 H72 Ag4 B44.16 N8 -","4","0.5","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.0705","0.0615","","","0.1688","0.1752","","","","","","1.101","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311117","9.8553","0.0001","10.132","0.0001","10.3829","0.0001","71.11","0.001","64.613","0.001","62.074","0.001","817.706","0.017","150","2","150","2","","","","","","","","5","P -1","-P 1","2","silver di(malonitrile) monocarbaborane","","","- C7 H16 Ag B11 N4 -","- C7 H16 Ag B11 N4 -","- C14 H32 Ag2 B22 N8 -","2","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.0508","0.0444","","","0.1144","0.1194","","","","","","1.043","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311118","15.894","0.0002","16.0933","0.0002","19.5732","0.0003","68.002","0.001","78.813","0.001","88.766","0.001","4546.67","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","silver succinonitrile monocarbaborane","","","- C36 H102 Ag6 B66 N15 -","- C36 H102 Ag6 B66 N15 -","- C72 H204 Ag12 B132 N30 -","2","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.7107","MoKα","","0.1657","0.1495","","","0.3613","0.3767","","","","","","0.99","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311119","6.9479","0.0001","21.1986","0.0002","18.9244","0.0002","90","","93.987","0.001","90","","2780.55","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","silver(I) di(glutaronitrile) cobalt(III) bis(dicarbollide)","","","- C28 H68 Ag2 B36 Co2 N8 -","- C28 H68 Ag2 B36 Co2 N8 -","- C56 H136 Ag4 B72 Co4 N16 -","2","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.04","0.0353","","","0.0917","0.1017","","","","","","1.09","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311120","6.9226","0.0001","28.1357","0.0005","11.522","0.0002","90","","93.316","0.001","90","","2240.41","0.06","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","silver glutaronitrile cobalt(III) bis(dicarbollide)","","","- C9 H28 Ag B18 Co N2 -","- C9 H28 Ag B18 Co N2 -","- C36 H112 Ag4 B72 Co4 N8 -","4","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.0417","0.0337","","","0.0849","0.0903","","","","","","1.049","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311121","10.5596","0.0001","20.4064","0.0002","10.9089","0.0001","90","","95.368","0.001","90","","2340.38","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","silver adiponitrile cobalt(III) bis(carbollide)","","","- C20 H60 Ag2 B36 Co2 N4 -","- C20 H60 Ag2 B36 Co2 N4 -","- C40 H120 Ag4 B72 Co4 N8 -","2","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.0471","0.041","","","0.1035","0.108","","","","","","1.028","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311122","10.0144","0.0001","10.126","0.0001","20.4363","0.0003","90","","90","","90","","2072.36","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","silver bis(malonitrile) tetrafluoroborate","","","- C12 H8 Ag2 B2 F8 N8 -","- C12 H8 Ag2 B2 F8 N8 -","- C48 H32 Ag8 B8 F32 N32 -","4","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.0688","0.0637","","","0.19","0.1976","","","","","","1.272","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311123","8.2493","0.0013","20.3335","0.0019","14.238","0.003","90","0.005","99.382","0.015","90","0.005","2356.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 N3 Ni0.5 Se2 -","- C20 H38 N3 Ni0.5 Se2 -","- C80 H152 N12 Ni2 Se8 -","4","1","","Xavi Ribas; João C. Dias; Jorge Morgado; Klaus Wurst; Isabel C. Santos; Manuel Almeida; José Vidal-Gancedo; Jaume Veciana; Concepció Rovira","Alkaline Side-Coordination Strategy for the Design of Nickel(II) and Nickel(III) Bis(1,2-diselenolene) Complex Based Materials","Inorganic Chemistry","2004","43","","3631","3641","10.1021/ic049860x","","","0.71069","MoKα","","0.227","0.0853","","","0.1263","0.1613","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311124","14.6372","0.0004","6.8642","0.0002","15.503","0.0004","90","","90","","90","","1557.63","0.07","233","2","233","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H8 N4 Na2 Ni O2 Se4 -","- C8 H8 N4 Na2 Ni O2 Se4 -","- C32 H32 N16 Na8 Ni4 O8 Se16 -","4","0.5","","Xavi Ribas; João C. Dias; Jorge Morgado; Klaus Wurst; Isabel C. Santos; Manuel Almeida; José Vidal-Gancedo; Jaume Veciana; Concepció Rovira","Alkaline Side-Coordination Strategy for the Design of Nickel(II) and Nickel(III) Bis(1,2-diselenolene) Complex Based Materials","Inorganic Chemistry","2004","43","","3631","3641","10.1021/ic049860x","","","0.71073","MoKα","","0.0325","0.0293","","","0.0751","0.077","","","","","","1.115","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311125","7.5664","0.0002","12.5752","0.0004","14.9926","0.0005","90","","91.094","0.002","90","","1426.27","0.08","233","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N8 Na2 Ni2 O4 Se8 -","- C16 H16 N8 Na2 Ni2 O4 Se8 -","- C32 H32 N16 Na4 Ni4 O8 Se16 -","2","0.5","","Xavi Ribas; João C. Dias; Jorge Morgado; Klaus Wurst; Isabel C. Santos; Manuel Almeida; José Vidal-Gancedo; Jaume Veciana; Concepció Rovira","Alkaline Side-Coordination Strategy for the Design of Nickel(II) and Nickel(III) Bis(1,2-diselenolene) Complex Based Materials","Inorganic Chemistry","2004","43","","3631","3641","10.1021/ic049860x","","","0.71073","MoKα","","0.0358","0.0309","","","0.0764","0.0787","","","","","","1.053","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311126","15.402","0.003","10.341","0.002","28.085","0.006","90","","92.07","0.03","90","","4470.2","1.6","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 F28 N4 Pt -","- C44 F28 N4 Pt -","- C176 F112 N16 Pt4 -","4","1","","Siu-Wai Lai; Yuan-Jun Hou; Chi-Ming Che; Hei-Leung Pang; Kwok-Yin Wong; Chi K. Chang; Nianyong Zhu","Electronic Spectroscopy, Photophysical Properties, and Emission Quenching Studies of an Oxidatively Robust Perfluorinated Platinum Porphyrin","Inorganic Chemistry","2004","43","","3724","3732","10.1021/ic049902h","","","0.71073","MoKα","","0.0894","0.0499","","","0.1505","0.1682","","","","","","0.968","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311127","9.1818","0.0008","8.5867","0.0008","20.3802","0.0019","90","","95.095","0.002","90","","1600.5","0.3","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- As2 K4 Mn S8 -","- As2 K4 Mn S8 -","- As8 K16 Mn4 S32 -","4","1","","Ratnasabapathy G. Iyer; Mercouri G. Kanatzidis","[Mn2(AsS4)4]8- and [Cd2(AsS4)2(AsS5)2]8-: Discrete Clusters with High Negative Charge from Alkali Metal Polythioarsenate Fluxes","Inorganic Chemistry","2004","43","","3656","3662","10.1021/ic049905u","","","0.71073","MoKα","","0.0218","0.0188","","","0.0439","0.0447","","","","","","1.039","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311128","9.079","0.003","9.197","0.003","11.219","0.004","105.958","0.007","103.95","0.005","92.612","0.006","867.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- As2 Mn Rb4 S8 -","- As2 Mn Rb4 S8 -","- As4 Mn2 Rb8 S16 -","2","1","","Ratnasabapathy G. Iyer; Mercouri G. Kanatzidis","[Mn2(AsS4)4]8- and [Cd2(AsS4)2(AsS5)2]8-: Discrete Clusters with High Negative Charge from Alkali Metal Polythioarsenate Fluxes","Inorganic Chemistry","2004","43","","3656","3662","10.1021/ic049905u","","","0.71073","MoKα","","0.0298","0.0227","","","0.0541","0.0558","","","","","","1","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311129","9.42","0.005","9.559","0.005","11.496","0.007","105.606","0.014","102.999","0.012","92.423","0.014","965.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- As2 Cs4 Mn S8 -","- As2 Cs4 Mn S8 -","- As4 Cs8 Mn2 S16 -","2","1","","Ratnasabapathy G. Iyer; Mercouri G. Kanatzidis","[Mn2(AsS4)4]8- and [Cd2(AsS4)2(AsS5)2]8-: Discrete Clusters with High Negative Charge from Alkali Metal Polythioarsenate Fluxes","Inorganic Chemistry","2004","43","","3656","3662","10.1021/ic049905u","","","0.71073","MoKα","","0.0475","0.0428","","","0.1224","0.1254","","","","","","1.053","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311130","9.122","0.002","9.285","0.002","12.4","0.003","111.7","0.006","108.744","0.005","90.163","0.005","915.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- As2 Cd Rb4 S9 -","- As2 Cd Rb4 S8.838 -","- As4 Cd2 Rb8 S17.676 -","2","1","","Ratnasabapathy G. Iyer; Mercouri G. Kanatzidis","[Mn2(AsS4)4]8- and [Cd2(AsS4)2(AsS5)2]8-: Discrete Clusters with High Negative Charge from Alkali Metal Polythioarsenate Fluxes","Inorganic Chemistry","2004","43","","3656","3662","10.1021/ic049905u","","","0.71073","MoKα","","0.0666","0.0501","","","0.1123","0.119","","","","","","1.05","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311131","11.59","0.0008","15.9243","0.0011","18.3558","0.0012","90","","96.84","0.001","90","","3363.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 K2 N4 O23 Zr2 -","- C22 H28 K2 N4 O23 Zr2 -","- C88 H112 K8 N16 O92 Zr8 -","4","1","","Weiqing Zhong; John A. Parkinson; Simon Parsons; Iain D. H. Oswald; Robert A. Coxall; Peter J. Sadler","Structure and Dynamics of Dinuclear Zirconium(IV) Complexes","Inorganic Chemistry","2004","43","","3561","3572","10.1021/ic049932k","","","0.71073","MoKα","","0.0281","0.0264","","","0.07","0.071","","","","","","1.072","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4311132","9.4138","0.0012","13.9949","0.0018","14.9813","0.0019","75.912","0.002","86.104","0.002","73.582","0.002","1836.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 N4 Na2 O26 Zr2 -","- C24 H46 N4 Na2 O26 Zr2 -","- C48 H92 N8 Na4 O52 Zr4 -","2","1","","Weiqing Zhong; John A. Parkinson; Simon Parsons; Iain D. H. Oswald; Robert A. Coxall; Peter J. Sadler","Structure and Dynamics of Dinuclear Zirconium(IV) Complexes","Inorganic Chemistry","2004","43","","3561","3572","10.1021/ic049932k","","","0.71073","MoKα","","0.0381","0.0337","","","0.0936","0.0956","","","","","","1.021","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311133","14.2765","0.0008","13.1465","0.0007","20.1326","0.0011","90","","102.708","0.001","90","","3686","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 Cl Cs2 N4 O24 Zr2 -","- C22 H39 Cl Cs2 N4 O24 Zr2 -","- C88 H156 Cl4 Cs8 N16 O96 Zr8 -","4","1","","Weiqing Zhong; John A. Parkinson; Simon Parsons; Iain D. H. Oswald; Robert A. Coxall; Peter J. Sadler","Structure and Dynamics of Dinuclear Zirconium(IV) Complexes","Inorganic Chemistry","2004","43","","3561","3572","10.1021/ic049932k","","","0.71073","MoKα","","0.0444","0.0374","","","0.075","0.0772","","","","","","1.144","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311134","26.4163","0.0006","12.1619","0.0002","28.0813","0.0006","90","","161.982","0.0006","90","","2790.52","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Au Cl10 O2 Tl -","- C20 H16 Au Cl10 O2 Tl -","- C80 H64 Au4 Cl40 O8 Tl4 -","4","1","","Eduardo J. Fernández; José M. López-de-Luzuriaga; Miguel Monge; Manuel Montiel; M. Elena Olmos; Javier Pérez; Antonio Laguna; Fernando Mendizabal; Ahmed A. Mohamed; John P. Fackler","A Detailed Study of the Vapochromic Behavior of {Tl[Au(C6Cl5)2]}n","Inorganic Chemistry","2004","43","","3573","3581","10.1021/ic0499446","","","0.7107","MoKα","","0.0786","0.0457","","","0.0826","0.0934","","","","","","1.016","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311135","9.8654","0.0002","29.857","0.0005","11.6067","0.0002","90","","114.593","0.0006","90","","3108.64","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Au Cl10 O4 Tl -","- C22 H16 Au Cl10 O4 Tl -","- C88 H64 Au4 Cl40 O16 Tl4 -","4","1","","Eduardo J. Fernández; José M. López-de-Luzuriaga; Miguel Monge; Manuel Montiel; M. Elena Olmos; Javier Pérez; Antonio Laguna; Fernando Mendizabal; Ahmed A. Mohamed; John P. Fackler","A Detailed Study of the Vapochromic Behavior of {Tl[Au(C6Cl5)2]}n","Inorganic Chemistry","2004","43","","3573","3581","10.1021/ic0499446","","","0.71073","MoKα","","0.0606","0.0485","","","0.1175","0.1256","","","","","","1.052","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311136","8.9296","0.0001","11.2457","0.0001","21.2465","0.0003","96.7187","0.0007","92.5886","0.0006","98.5911","0.0008","2090.87","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H8 Au2 Cl20 O Tl2 -","- C28 H8 Au2 Cl20 O Tl2 -","- C56 H16 Au4 Cl40 O2 Tl4 -","2","1","","Eduardo J. Fernández; José M. López-de-Luzuriaga; Miguel Monge; Manuel Montiel; M. Elena Olmos; Javier Pérez; Antonio Laguna; Fernando Mendizabal; Ahmed A. Mohamed; John P. Fackler","A Detailed Study of the Vapochromic Behavior of {Tl[Au(C6Cl5)2]}n","Inorganic Chemistry","2004","43","","3573","3581","10.1021/ic0499446","","","0.71073","MoKα","","0.0439","0.0346","","","0.0804","0.085","","","","","","1.039","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311137","12.09","0.006","8.13","0.004","18.685","0.01","90","","90","","90","","1836.6","1.6","297","2","297","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C10 H24 Br4 Cu N2 -","- C10 H24 Br4 Cu N2 -","- C40 H96 Br16 Cu4 N8 -","4","1","","Roger D. Willett; Calin Galeriu; Christopher P. Landee; Mark M. Turnbull; Brendan Twamley","Structure and Magnetism of a Spin Ladder System: (C5H9NH3)2CuBr4","Inorganic Chemistry","2004","43","","3804","3811","10.1021/ic030317a","","","0.71073","MoKα","","0.131","0.067","","","0.1667","0.2024","","","","","","1.033","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311138","24.111","0.005","8.0886","0.0016","18.448","0.004","90","","90","","90","","3597.8","1.3","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H24 Br4 Cu N2 -","- C10 H24 Br4 Cu N2 -","- C80 H192 Br32 Cu8 N16 -","8","2","","Roger D. Willett; Calin Galeriu; Christopher P. Landee; Mark M. Turnbull; Brendan Twamley","Structure and Magnetism of a Spin Ladder System: (C5H9NH3)2CuBr4","Inorganic Chemistry","2004","43","","3804","3811","10.1021/ic030317a","","","0.71073","MoKα","","0.0954","0.0603","","","0.118","0.1308","","","","","","1.017","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311139","21.5678","0.0011","21.5678","0.0011","16.2749","0.0012","90","","90","","90","","7570.6","0.8","193","2","193","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C122 H134 Mn9 N66 O32 -","- C122 H134 Mn9 N66 O32 -","- C244 H268 Mn18 N132 O64 -","2","0.25","","Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope","Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies","Inorganic Chemistry","2004","43","","3812","3824","10.1021/ic030319v","","","0.71073","MoKα","","0.1221","0.0956","","","0.2445","0.2619","","","","","","1.126","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311140","25.0434","0.0013","27.413","0.0012","27.5379","0.0015","91.586","0.002","113.92","0.001","111.947","0.001","15666.9","1.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C242 H233 Mn20 N121 O50 S13 -","- C242 H233 Mn20 N121 O50 S13 -","- C484 H466 Mn40 N242 O100 S26 -","2","1","","Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope","Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies","Inorganic Chemistry","2004","43","","3812","3824","10.1021/ic030319v","","","0.71073","MoKα","","0.1812","0.0931","","","0.2723","0.3339","","","","","","1.013","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311141","18.1578","0.0012","18.2887","0.0012","26.7641","0.0015","105.788","0.001","101.547","0.002","91.125","0.001","8353.6","0.9","296","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H127 Mn9 N71 O43 -","- C105 H84 Mn9 N71 O43 -","- C210 H168 Mn18 N142 O86 -","2","1","","Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope","Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies","Inorganic Chemistry","2004","43","","3812","3824","10.1021/ic030319v","","","0.71073","MoKα","","0.2259","0.1342","","","0.3757","0.4293","","","","","","1.301","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311142","20.2791","0.001","20.2791","0.001","54.873","0.006","90","","90","","90","","22566","3","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C186 H138 Mn9 N46 O30 -","- C186 H138 Mn9 N46 O30 -","- C744 H552 Mn36 N184 O120 -","4","0.5","","Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope","Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies","Inorganic Chemistry","2004","43","","3812","3824","10.1021/ic030319v","","","0.71073","MoKα","","0.1503","0.1106","","","0.3011","0.3229","","","","","","1.117","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311143","18.27","0.0005","18.27","0.0005","26.7525","0.0015","90","","90","","90","","8929.8","0.6","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C126 H118 Cl10 Mn11 N42 O20 -","- C126 H102 Cl10 Mn11 N42 O20 -","- C252 H204 Cl20 Mn22 N84 O40 -","2","0.25","","Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope","Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies","Inorganic Chemistry","2004","43","","3812","3824","10.1021/ic030319v","","","0.71073","MoKα","","0.0711","0.0612","","","0.1842","0.1948","","","","","","1.078","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311144","19.044","0.002","19.457","0.002","23.978","0.003","84.518","0.003","81.227","0.003","60.954","0.002","7674.1","1.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H98 Cl15 Mn9 N54 O55 -","- C114 H84 Cl15 Mn9 N54 O55 -","- C228 H168 Cl30 Mn18 N108 O110 -","2","1","","Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope","Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies","Inorganic Chemistry","2004","43","","3812","3824","10.1021/ic030319v","","","0.71073","MoKα","","0.2624","0.1119","","","0.2855","0.3718","","","","","","1.009","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311145","18.3225","0.001","6.2068","0.0003","20.3289","0.0011","90","","94.787","0.001","90","","2303.8","0.2","296","0.2","296","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C10 H22 Cl6 N2 O5 Sn2 -","- C10 H16 Cl6 N2 O5 Sn2 -","- C40 H64 Cl24 N8 O20 Sn8 -","4","1","","Yong-Hua Li; Zhi-Rong Qu; Hong Zhao; Qiong Ye; Li-Xin Xing; Xi-Sen Wang; Ren-Gen Xiong; Xiao-Zeng You","A Novel TGS-like Inorganic-Organic Hybrid and a Preliminary Investigation of Its Possible Ferroelectric Behavior","Inorganic Chemistry","2004","43","","3768","3770","10.1021/ic034672c","","","0.71073","MoKα","","0.0304","0.0292","","","0.0899","0.0913","","","","","","0.749","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311146","37.254","0.014","7.287","0.003","6.054","0.002","90","","90","","90","","1643.5","1.1","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H18 Au2 O2 S4 -","- C10 H18 Au2 O2 S4 -","- C40 H72 Au8 O8 S16 -","4","1","","Ahmed A. Mohamed; Ibrahim Kani; Anna O. Ramirez; John P. Fackler","Synthesis, Characterization, and Luminescent Properties of Dinuclear Gold(I) Xanthate Complexes: X-ray Structure of [Au2(nBu-xanthate)2]","Inorganic Chemistry","2004","43","","3833","3839","10.1021/ic0349858","","","0.71073","MoKα","","0.0876","0.0706","","","0.1772","0.1869","","","","","","1.068","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311147","11.5958","0.0013","11.4695","0.0013","14.5979","0.0016","90","","108.303","0.002","90","","1843.3","0.4","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl Fe N5 O4 -","- C14 H23 Cl Fe N5 O4 -","- C56 H92 Cl4 Fe4 N20 O16 -","4","1","","Ivan V. Korendovych; Richard J. Staples; William M. Reiff; Elena V. Rybak-Akimova","A New High-Spin Iron(III) Complex with a Pentadentate Macrocyclic Amidopyridine Ligand: A Change from Slow Single-Ion Paramagnetic Relaxation to Long-Range Antiferromagnetic Order in a Hydrogen-Bonded Network","Inorganic Chemistry","2004","43","","3930","3941","10.1021/ic0351601","","","0.71073","MoKα","","0.0748","0.0647","","","0.1525","0.1576","","","","","","1.149","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311148","13.9346","0.0018","11.3632","0.0014","17.801","0.002","90","","95.632","0.003","90","","2805","0.6","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 N5 O2 -","- C13 H19 N5 O2 -","- C104 H152 N40 O16 -","8","1","","Ivan V. Korendovych; Richard J. Staples; William M. Reiff; Elena V. Rybak-Akimova","A New High-Spin Iron(III) Complex with a Pentadentate Macrocyclic Amidopyridine Ligand: A Change from Slow Single-Ion Paramagnetic Relaxation to Long-Range Antiferromagnetic Order in a Hydrogen-Bonded Network","Inorganic Chemistry","2004","43","","3930","3941","10.1021/ic0351601","","","0.71073","MoKα","","0.0671","0.052","","","0.1574","0.1648","","","","","","1.187","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311149","25.299","0.009","11.798","0.005","14.302","0.001","90","","91.28","0.05","90","","4268","2","160","2","160","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C44 H65 Mo N3 O3 -","- C44 H65 Mo N3 O3 -","- C176 H260 Mo4 N12 O12 -","4","2","","Ramkrishna Ramnauth; Salih Al-Juaid; Majid Motevalli; Bernardetta C. Parkin; Alice C. Sullivan","Synthesis, Structure, and Catalytic Oxidation Chemistry from the First Oxo-Imido Schiff Base Metal Complexes","Inorganic Chemistry","2004","43","","4072","4079","10.1021/ic035318h","","","0.71073","MoKα","","0.1234","0.0483","","","0.1144","0.1472","","","","","","1.003","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311150","7.122","0.002","20.983","0.008","10.758","0.005","90","","108.96","0.04","90","","1520.5","1.1","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H37 Cl2 Mo N3 O3 -","- C31 H37 Cl2 Mo N3 O3 -","- C62 H74 Cl4 Mo2 N6 O6 -","2","1","","Ramkrishna Ramnauth; Salih Al-Juaid; Majid Motevalli; Bernardetta C. Parkin; Alice C. Sullivan","Synthesis, Structure, and Catalytic Oxidation Chemistry from the First Oxo-Imido Schiff Base Metal Complexes","Inorganic Chemistry","2004","43","","4072","4079","10.1021/ic035318h","","","0.71073","MoKα","","0.0265","0.0223","","","0.0592","0.0628","","","","","","1.087","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311151","10.692","0.002","14.707","0.008","14.983","0.009","116.38","0.08","95.25","0.09","82.4","0.09","2091","2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H68 Mo N4 O2 -","- C41 H68 Mo N4 O2 -","- C82 H136 Mo2 N8 O4 -","2","1","","Ramkrishna Ramnauth; Salih Al-Juaid; Majid Motevalli; Bernardetta C. Parkin; Alice C. Sullivan","Synthesis, Structure, and Catalytic Oxidation Chemistry from the First Oxo-Imido Schiff Base Metal Complexes","Inorganic Chemistry","2004","43","","4072","4079","10.1021/ic035318h","","","0.71073","MoKα","","0.0451","0.0385","","","0.1024","0.1066","","","","","","1.077","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311152","18.243","0.004","23.09","0.004","19.265","0.004","90","","91.01","","90","","8114","3","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H116 As8 K3 N8 Nb O18 -","- C56 H116 As8 K3 N8 Nb O18 -","- C224 H464 As32 K12 N32 Nb4 O72 -","4","1","","Banu Kesanli; James Fettinger; Brian Scott; Bryan Eichhorn","Gas Phase, Solution, and Solid State Alkali Ion Binding by the [NbE8]3- (E = As, Sb) Complexes: Synthesis, Structure, and Spectroscopy","Inorganic Chemistry","2004","43","","3840","3846","10.1021/ic035397x","","","0.71073","MoKα","","0.1138","0.0509","","","0.0903","0.1098","","","","","","0.981","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311153","26.0588","0.0009","25.3583","0.0008","38.0508","0.0017","90","","92.365","0.001","90","","25122.8","1.6","193","2","193","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C162 H324 K9 N18 Nb3 O54 Sb24 -","- C162 H324 K9 N18 Nb3 O54 Sb24 -","- C648 H1296 K36 N72 Nb12 O216 Sb96 -","4","1","","Banu Kesanli; James Fettinger; Brian Scott; Bryan Eichhorn","Gas Phase, Solution, and Solid State Alkali Ion Binding by the [NbE8]3- (E = As, Sb) Complexes: Synthesis, Structure, and Spectroscopy","Inorganic Chemistry","2004","43","","3840","3846","10.1021/ic035397x","","","0.71073","MoKα","","0.1286","0.094","","","0.2561","0.2918","","","","","","2.003","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311154","7.676","0.002","8.694","0.002","15.866","0.004","80.02","0.02","87.45","0.02","84.55","0.02","1037.7","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H19 Cl4 N2 O2 Ru S4 -","- C10 H19 Cl4 N2 O2 Ru S4 -","- C20 H38 Cl8 N4 O4 Ru2 S8 -","2","1","","Pasquale Mura; Mercedes Camalli; Luigi Messori; Francesca Piccioli; Piero Zanello; Maddalena Corsini","Synthesis, Structural Characterization, Solution Chemistry, and Preliminary Biological Studies of the Ruthenium(III) Complexes [TzH][trans-RuCl4(Tz)2] and [TzH][trans-RuCl4(DMSO)(Tz)].(DMSO), the Thiazole Analogues of Antitumor ICR and NAMI-A","Inorganic Chemistry","2004","43","","3863","3870","10.1021/ic0354116","","","1.54178","CuKa","","0.048","0.048","","0.068","0.068","0.068","","","0.912","0.912","0.912","0.912","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311155","24.0201","0.0016","6.4017","0.0003","13.3056","0.0004","90","","90","","90","","2046","0.18","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ag6 K2 S10 Sn3 -","- Ag6 K2 S10 Sn3 -","- Ag24 K8 S40 Sn12 -","4","0.5","","Menghe Baiyin; Yonglin An; Xin Liu; Min Ji; Cuiying Jia; Guiling Ning","K2Ag6Sn3S10: A Quaternary Sulfide Composed of Silver Sulfide Layers Pillared by Zigzag Chains [SnS3]2-","Inorganic Chemistry","2004","43","","3764","3765","10.1021/ic035474o","","","0.71073","MoKα","","0.0414","0.0294","","","0.0682","0.0949","","","","","","1.146","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311156","15.4913","0.0004","10.0769","0.0003","23.3121","0.0005","90","","99.4683","0.0015","90","","3589.54","0.16","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 Cl2 N7 Ni O4 -","- C36 H35 Cl2 N7 Ni O4 -","- C144 H140 Cl8 N28 Ni4 O16 -","4","1","","Ewa Szajna; Piotr Dobrowolski; Amy L. Fuller; Atta M. Arif; Lisa M. Berreau","NMR Studies of Mononuclear Octahedral Ni(II) Complexes Supported by Tris((2-pyridyl)methyl)amine-Type Ligands","Inorganic Chemistry","2004","43","","3988","3997","10.1021/ic040002a","","","0.71073","MoKα","","0.0913","0.0543","","","0.1302","0.1534","","","","","","1.038","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311157","11.6675","0.0004","19.8387","0.0006","14.9924","0.0007","90","","99.291","0.003","90","","3424.7","0.2","173.2","","173.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Cl2 N4 P2 Pd -","- C33 H42 Cl2 N4 P2 Pd -","- C132 H168 Cl8 N16 P8 Pd4 -","4","1","","Nathan D. Jones; S. Jo Ling Foo; Brian O. Patrick; Brian R. James","Metal-Metal Bonded Homo- and Heterobimetallic Compounds of Pt(I) and Pd(I) Supported by a Bridging-N,P:N',P'Moiety of a Potentially Hexadentate Ligand","Inorganic Chemistry","2004","43","","4056","4063","10.1021/ic040019t","","","0.7107","MoKα","","0.0437","0.027","","0.0797","","0.0797","","","0.861","","","0.861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311158","39.621","0.002","11.7466","0.0005","17.8781","0.0008","90","","89.228","0.003","90","","8319.9","0.7","173.2","","173.2","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Cl2 F3 N4 O3 P2 Pd Pt S2 -","- C36 H47 Cl2 F3 N4 O3 P2 Pd1.277 Pt0.817 S2 -","- C288 H376 Cl16 F24 N32 O24 P16 Pd10.216 Pt6.536 S16 -","8","1","","Nathan D. Jones; S. Jo Ling Foo; Brian O. Patrick; Brian R. James","Metal-Metal Bonded Homo- and Heterobimetallic Compounds of Pt(I) and Pd(I) Supported by a Bridging-N,P:N',P'Moiety of a Potentially Hexadentate Ligand","Inorganic Chemistry","2004","43","","4056","4063","10.1021/ic040019t","","","0.7107","MoKα","","0.0607","0.03","","0.076","","0.076","","","0.93","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311159","10.265","0.005","11.432","0.005","20.32","0.005","99.61","0.005","95.56","0.005","92.51","0.005","2335.6","1.6","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 Cl4 I4 N4 O8 Zn2 -","- C40 H24 Cl4 I4 N4 O8 Zn2 -","- C80 H48 Cl8 I8 N8 O16 Zn4 -","2","1","","Massimo Di Vaira; Carla Bazzicalupi; Pierluigi Orioli; Luigi Messori; Bruno Bruni; Paolo Zatta","Clioquinol, a Drug for Alzheimer's Disease Specifically Interfering with Brain Metal Metabolism: Structural Characterization of Its Zinc(II) and Copper(II) Complexes","Inorganic Chemistry","2004","43","","3795","3797","10.1021/ic0494051","","","0.71069","mokα","","0.2117","0.0751","","","0.1988","0.286","","","","","","0.907","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311160","4.88","0.004","10.827","0.005","18.012","0.007","90","","91.13","0.07","90","","951.5","1","298","","298","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H8 Cl2 Cu I2 N2 O2 -","- C18 H8 Cl2 Cu I2 N2 O2 -","- C36 H16 Cl4 Cu2 I4 N4 O4 -","2","1","","Massimo Di Vaira; Carla Bazzicalupi; Pierluigi Orioli; Luigi Messori; Bruno Bruni; Paolo Zatta","Clioquinol, a Drug for Alzheimer's Disease Specifically Interfering with Brain Metal Metabolism: Structural Characterization of Its Zinc(II) and Copper(II) Complexes","Inorganic Chemistry","2004","43","","3795","3797","10.1021/ic0494051","","","0.71069","MoKα","","0.0722","0.0317","","0.089","0.0678","","","","1.051","1.055","1.055","","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311161","9.611","0.006","9.674","0.006","10.878","0.007","107.109","0.01","114.993","0.009","95.996","0.01","845","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cu N2 O6 -","- C16 H20 Cu N2 O6 -","- C32 H40 Cu2 N4 O12 -","2","1","","La-Sheng Long; Yan-Rong Wu; Rong-Bin Huang; Lan-Sun Zheng","A Well-Resolved uudd Cyclic Water Tetramer in the Crystal Host of [Cu(adipate)(4,4-bipyridine)].(H2O)2","Inorganic Chemistry","2004","43","","3798","3800","10.1021/ic0494354","","","0.71073","MoKα","","0.0616","0.0507","","","0.1383","0.149","","","","","","1.097","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311162","10.6077","0.0002","20.9159","0.0005","18.397","0.0004","90","","105.049","0.001","90","","3941.75","0.15","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 Cd N4 O14.5 -","- C35 H49 Cd N4 O14.5 -","- C140 H196 Cd4 N16 O58 -","4","1","","Filipe A. Almeida Paz; Jacek Klinowski","Two- and Three-Dimensional Cadmium-Organic Frameworks with Trimesic Acid and 4,4'-Trimethylenedipyridine","Inorganic Chemistry","2004","43","","3882","3893","10.1021/ic049523o","","","0.71073","MoKα","","0.0664","0.0428","","","0.1016","0.1141","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311163","13.997","0.001","20.103","0.002","17.46","0.002","90","","100.201","0.005","90","","4835.3","0.8","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 Cd N2 O11.5 -","- C22 H29 Cd N2 O11.5 -","- C176 H232 Cd8 N16 O92 -","8","1","","Filipe A. Almeida Paz; Jacek Klinowski","Two- and Three-Dimensional Cadmium-Organic Frameworks with Trimesic Acid and 4,4'-Trimethylenedipyridine","Inorganic Chemistry","2004","43","","3882","3893","10.1021/ic049523o","","","0.71073","MoKα","","0.1272","0.0992","","","0.2301","0.2445","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311164","9.8976","0.0002","14.5822","0.0004","26.5732","0.0007","90","","91.93","0.001","90","","3833.1","0.17","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 Cd2 N5 O12 -","- C35 H31 Cd2 N5 O12 -","- C140 H124 Cd8 N20 O48 -","4","1","","Filipe A. Almeida Paz; Jacek Klinowski","Two- and Three-Dimensional Cadmium-Organic Frameworks with Trimesic Acid and 4,4'-Trimethylenedipyridine","Inorganic Chemistry","2004","43","","3882","3893","10.1021/ic049523o","","","0.71073","MoKα","","0.1401","0.0928","","","0.1959","0.2103","","","","","","1.24","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311165","10.888","0.003","11.638","0.003","13.793","0.003","95.367","0.002","103.259","0.002","108.532","0.003","1586.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 N Nd O17 -","- C28 H37 N Nd O17 -","- C56 H74 N2 Nd2 O34 -","2","1","","Subhadip Neogi; G. Savitha; Parimal K. Bharadwaj","Structure of Discrete (H2O)12 Clusters Present in the Cavity of Polymeric Interlinked Metallocycles of Nd(III) or Gd(III) and a Podand Ligand","Inorganic Chemistry","2004","43","","3771","3773","10.1021/ic0495618","","","0.71069","MoKα","","0.0319","0.0309","","","0.0834","0.0841","","","","","","1.055","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311166","10.861","0.005","11.6","0.005","13.806","0.005","95.385","0.005","103.105","0.005","108.467","0.005","1580.8","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 Gd N O17 -","- C28 H36 Gd N O17 -","- C56 H72 Gd2 N2 O34 -","2","1","","Subhadip Neogi; G. Savitha; Parimal K. Bharadwaj","Structure of Discrete (H2O)12 Clusters Present in the Cavity of Polymeric Interlinked Metallocycles of Nd(III) or Gd(III) and a Podand Ligand","Inorganic Chemistry","2004","43","","3771","3773","10.1021/ic0495618","","","0.71069","MoKα","","0.0291","0.028","","","0.0751","0.0758","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311167","8.237","0.0005","8.293","0.0005","8.3553","0.0004","90","","90.143","0.002","90","","570.74","0.06","293","1","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- B12 H14 O12 -","- B12 H14 O12 -","- B24 H28 O24 -","2","0.5","","Stasko, Daniel J.; Perzynski, Kevin J.; Wasil, Mark A.; Brodbeck, Julia K.; Kirschbaum, Kristin; Kim, Yong Wah; Lind, Cora","An Addition to the Oxoacid Family: H2B12(OH)12","Inorganic Chemistry","2004","43","13","3786","3788","10.1021/ic049564k","","","0.4959","synchroton","","0.0656","0.0577","","","0.1395","0.1494","","","","","","1.052","","","","has coordinates","210353","2020-10-21","18:00:00",""
"4311168","8.6504","0.001","14.4307","0.0017","32.545","0.004","90","","95.003","0.003","90","","4047.2","0.8","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 O9 P2 Pd2 Ru2 -","- C33 H54 O9 P2 Pd2 Ru2 -","- C132 H216 O36 P8 Pd8 Ru8 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Mark D. Smith; Charles Edwin Webster","Dinuclear Ruthenium and Iron Complexes Containing Palladium and Platinum with Tri-tert-Butylphosphine Ligands: Synthesis, Structures, and Bonding","Inorganic Chemistry","2004","43","","3921","3929","10.1021/ic049675j","","","0.71073","MoKα","","0.0724","0.0439","","","0.0815","0.0899","","","","","","1.002","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311169","16.391","0.0009","8.4841","0.0004","20.871","0.0011","90","","110.737","0.001","90","","2714.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 O9 P Pt Ru2 -","- C21 H27 O9 P Pt Ru2 -","- C84 H108 O36 P4 Pt4 Ru8 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Mark D. Smith; Charles Edwin Webster","Dinuclear Ruthenium and Iron Complexes Containing Palladium and Platinum with Tri-tert-Butylphosphine Ligands: Synthesis, Structures, and Bonding","Inorganic Chemistry","2004","43","","3921","3929","10.1021/ic049675j","","","0.71073","MoKα","","0.0367","0.0328","","","0.0816","0.0842","","","","","","1.06","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311170","14.5394","0.001","16.2556","0.0011","17.0963","0.0012","90","","90.262","0.001","90","","4040.6","0.5","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 O9 P2 Pt2 Ru2 -","- C33 H54 O9 P2 Pt2 Ru2 -","- C132 H216 O36 P8 Pt8 Ru8 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Mark D. Smith; Charles Edwin Webster","Dinuclear Ruthenium and Iron Complexes Containing Palladium and Platinum with Tri-tert-Butylphosphine Ligands: Synthesis, Structures, and Bonding","Inorganic Chemistry","2004","43","","3921","3929","10.1021/ic049675j","","","0.71073","MoKα","","0.0309","0.0254","","","0.0563","0.0577","","","","","","0.984","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311171","10.8083","0.0007","13.681","0.0009","14.7861","0.001","96.124","0.002","95.48","0.002","108.631","0.002","2040.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 O8 P2 Pt2 Ru2 -","- C32 H56 O8 P2 Pt2 Ru2 -","- C64 H112 O16 P4 Pt4 Ru4 -","2","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Mark D. Smith; Charles Edwin Webster","Dinuclear Ruthenium and Iron Complexes Containing Palladium and Platinum with Tri-tert-Butylphosphine Ligands: Synthesis, Structures, and Bonding","Inorganic Chemistry","2004","43","","3921","3929","10.1021/ic049675j","","","0.71073","MoKα","","0.0523","0.0399","","","0.0893","0.0952","","","","","","1.019","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311172","16.2566","0.0008","8.3777","0.0004","20.4807","0.001","90","","110.701","0.001","90","","2609.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Fe2 O9 P Pt -","- C21 H27 Fe2 O9 P Pt -","- C84 H108 Fe8 O36 P4 Pt4 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Mark D. Smith; Charles Edwin Webster","Dinuclear Ruthenium and Iron Complexes Containing Palladium and Platinum with Tri-tert-Butylphosphine Ligands: Synthesis, Structures, and Bonding","Inorganic Chemistry","2004","43","","3921","3929","10.1021/ic049675j","","","0.71073","MoKα","","0.0218","0.0184","","","0.0439","0.0452","","","","","","1.035","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311173","11.3371","0.0013","15.5255","0.0018","20.097","0.002","90","","96.197","0.003","90","","3516.7","0.7","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Manuscript number JA037161Y","","- C34 H48 Cl Cu Fe2 N4 O4 -","- C34 H48 Cl Cu Fe2 N4 O4 -","- C136 H192 Cl4 Cu4 Fe8 N16 O16 -","4","1","","Christophe Bucher; Jean-Claude Moutet; Jacques Pécaut; Guy Royal; Eric Saint-Aman; Fabrice Thomas","Redox-Triggered Molecular Movement in a Multicomponent Metal Complex in Solution and in the Solid State","Inorganic Chemistry","2004","43","","3777","3779","10.1021/ic049684s","","","0.71073","MoKα","","0.054","0.0296","","","0.0621","0.0666","","","","","","0.9","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311174","10.2723","0.0006","13.2278","0.0008","17.3098","0.001","67.623","0.001","82.37","0.001","78.225","0.001","2125.2","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Manuscript number JA037161Y","","- C38 H54 Cl2 Cu Fe2 N6 O8 -","- C38 H51 Cl2 Cu Fe2 N6 O8.094 -","- C76 H102 Cl4 Cu2 Fe4 N12 O16.188 -","2","1","","Christophe Bucher; Jean-Claude Moutet; Jacques Pécaut; Guy Royal; Eric Saint-Aman; Fabrice Thomas","Redox-Triggered Molecular Movement in a Multicomponent Metal Complex in Solution and in the Solid State","Inorganic Chemistry","2004","43","","3777","3779","10.1021/ic049684s","","","0.71073","MoKα","","0.0712","0.0405","","","0.0932","0.1003","","","","","","0.916","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311175","7.3867","0.0016","13.969","0.003","12.949","0.003","90","","100.089","0.003","90","","1315.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C25 H16 Cl2 F6 N2 S2 Zn -","- C25 H16 Cl2 F6 N2 S2 Zn -","- C50 H32 Cl4 F12 N4 S4 Zn2 -","2","0.5","","Kenji Matsuda; Yoshihiro Shinkai; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and ZnCl2","Inorganic Chemistry","2004","43","","3774","3776","10.1021/ic049686c","","","0.71073","MoKα","","0.0322","0.0251","","","0.0654","0.0682","","","","","","1.028","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311176","15.865","0.003","15.734","0.003","40.755","0.007","90","","92.113","0.005","90","","10166","3","116","2","116","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H34 Cl2 F12 N2 S4 Zn -","- C52 H34 Cl2 F12 N2 S4 Zn -","- C416 H272 Cl16 F96 N16 S32 Zn8 -","8","1","","Kenji Matsuda; Yoshihiro Shinkai; Masahiro Irie","Photochromism of Metal Complexes Composed of Diarylethene Ligands and ZnCl2","Inorganic Chemistry","2004","43","","3774","3776","10.1021/ic049686c","","","0.71073","MoKα","","0.2001","0.0559","","","0.1083","0.1541","","","","","","0.846","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311177","8.2996","0.0006","10.5681","0.0007","12.0865","0.0008","72.752","0.001","77.462","0.001","80.714","0.001","982.94","0.12","190","2","190","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38 Ag F6 N8 O P -","- C41 H38 Ag F6 N8 O P -","- C41 H38 Ag F6 N8 O P -","1","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith","Tuning the Coordination Geometry of Silver in Bis(pyrazolyl)alkane Complexes","Inorganic Chemistry","2004","43","","3825","3832","10.1021/ic0497174","","","0.71073","MoKα","","0.0349","0.0324","","","0.087","0.0884","","","","","","1.043","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311178","12.442","0.0004","12.442","0.0004","17.6269","0.0013","90","","90","","120","","2363.1","0.2","150","0.2","150","0.2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C26.5 H25 Ag Cl F6 N8 P -","- C26.5 H25 Ag Cl F6 N8 P -","- C79.5 H75 Ag3 Cl3 F18 N24 P3 -","3","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith","Tuning the Coordination Geometry of Silver in Bis(pyrazolyl)alkane Complexes","Inorganic Chemistry","2004","43","","3825","3832","10.1021/ic0497174","","","0.71073","MoKα","","0.0291","0.0281","","","0.0687","0.0692","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311179","26.7828","0.0014","9.2886","0.0005","27.1161","0.0014","90","","90","","90","","6745.8","0.6","150","0.2","150","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Ag Cl2 F6 N8 P -","- C29 H30 Ag Cl2 F6 N8 P -","- C232 H240 Ag8 Cl16 F48 N64 P8 -","8","1","","Daniel L. Reger; James R. Gardinier; Mark D. Smith","Tuning the Coordination Geometry of Silver in Bis(pyrazolyl)alkane Complexes","Inorganic Chemistry","2004","43","","3825","3832","10.1021/ic0497174","","","0.71073","MoKα","","0.0618","0.057","","","0.1444","0.148","","","","","","1.11","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311180","8.3358","0.0008","10.5402","0.001","12.3687","0.0012","72.95","0.002","76.09","0.002","80.891","0.002","1003.97","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38 Ag F6 N8 O P -","- C41 H38 Ag F6 N8 O P -","- C41 H38 Ag F6 N8 O P -","1","0.5","","Daniel L. Reger; James R. Gardinier; Mark D. Smith","Tuning the Coordination Geometry of Silver in Bis(pyrazolyl)alkane Complexes","Inorganic Chemistry","2004","43","","3825","3832","10.1021/ic0497174","","","0.71073","MoKα","","0.0444","0.0418","","","0.1258","0.1292","","","","","","1.06","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311181","13.3963","0.0013","19.597","0.0019","18.1723","0.0017","90","","100.416","0.002","90","","4692.1","0.8","173","2","173","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- Cs5 H59 K Na6 O92.5 Pd3 Sb2 W18 -","- Cs5 K Na3 O95.5 Pd3 Sb2 W18 -","- Cs10 K2 Na6 O191 Pd6 Sb4 W36 -","2","0.5","","Li-Hua Bi; Markus Reicke; Ulrich Kortz; Bineta Keita; Louis Nadjo; Ronald J. Clark","First Structurally Characterized Palladium(II)-Substituted Polyoxoanion: [Cs~2~Na(H~2~O)~10~Pd~3~(α-Sb^III^W~9~O~33~)~2~]^9-^","Inorganic Chemistry","2004","43","","3915","3920","10.1021/ic049736d","","","0.71073","MoKα","","0.0619","0.0576","","","0.1224","0.1243","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311182","15.7422","0.0012","18.2865","0.0009","18.0539","0.0012","90","","93.103","0.009","90","","5189.6","0.6","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H56 N8 O16 Re4 -","- C38 H52 N8 O16 Re4 -","- C152 H208 N32 O64 Re16 -","4","0.5","","Philipp Kurz; Bernhard Spingler; Thomas Fox; Roger Alberto","[TcI(CN)3(CO)3]2- and [ReI(CN)3(CO)3]2-: Case Studies for the Binding Properties of CN- and CO","Inorganic Chemistry","2004","43","","3789","3791","10.1021/ic049774x","","","0.71073","MoKα","","0.0488","0.0406","","","0.0973","0.1006","","","","","","0.952","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311183","19.652","0.0009","16.8995","0.0007","16.1837","0.0007","90","","100.971","0.005","90","","5276.5","0.4","183","2","183","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H40 As2 N3 O3 Tc -","- C54 H40 As2 N3 O3 Tc -","- C216 H160 As8 N12 O12 Tc4 -","4","1","","Philipp Kurz; Bernhard Spingler; Thomas Fox; Roger Alberto","[TcI(CN)3(CO)3]2- and [ReI(CN)3(CO)3]2-: Case Studies for the Binding Properties of CN- and CO","Inorganic Chemistry","2004","43","","3789","3791","10.1021/ic049774x","","","0.71073","MoKα","","0.0864","0.0583","","","0.1653","0.1809","","","","","","0.946","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311184","9.5656","0.0004","13.1567","0.0005","41.3637","0.0019","90","","90.991","0.005","90","","5204.9","0.4","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 As2 N3 O7 Re -","- C54 H25 As2 N3 O5.5 Re -","- C216 H100 As8 N12 O22 Re4 -","4","1","","Philipp Kurz; Bernhard Spingler; Thomas Fox; Roger Alberto","[TcI(CN)3(CO)3]2- and [ReI(CN)3(CO)3]2-: Case Studies for the Binding Properties of CN- and CO","Inorganic Chemistry","2004","43","","3789","3791","10.1021/ic049774x","","","0.71073","MoKα","","0.1144","0.0564","","","0.126","0.1468","","","","","","0.87","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311185","10.8264","0.0005","17.4563","0.0005","24.2605","0.0011","90","","91.978","0.002","90","","4582.2","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 Cd1.5 N2 O9 -","- C21 H21 Cd1.5 N2 O9 -","- C168 H168 Cd12 N16 O72 -","8","1","","Filipe A. Almeida Paz; Jacek Klinowski","Synthesis and Characterization of a Novel Cadmium-Organic Framework with Trimesic Acid and 1,2-Bis(4-pyridyl)ethane","Inorganic Chemistry","2004","43","","3948","3954","10.1021/ic049794z","","","0.71073","MoKα","","0.0762","0.0463","","","0.1106","0.1203","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311186","9.47","0.002","12.307","0.003","27.311","0.006","90","","90","","90","","3183","1.2","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C4 H17 B2 Cd Cl N3 O13 P3 -","- C4 H17 B2 Cd Cl N3 O13 P3 -","- C32 H136 B16 Cd8 Cl8 N24 O104 P24 -","8","1","","Wei Liu; Minghui Ge; Xinxin Yang; Haohong Chen; Manrong Li; Jingtai Zhao","Hydrothermal Synthesis and Characterization of Two Organically Templated Cadmium Borophosphates with Novel Structures","Inorganic Chemistry","2004","43","","3910","3914","10.1021/ic0498034","","","0.71073","MoKα","","0.0631","0.0359","","","0.0527","0.0581","","","","","","0.829","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311187","9.286","0.003","12.459","0.003","21.626","0.006","90","","90","","90","","2502","1.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C2 H10 B2 Cd N2 O13 P3 -","- C2 H10 B2 Cd N2 O13 P3 -","- C16 H80 B16 Cd8 N16 O104 P24 -","8","1","","Wei Liu; Minghui Ge; Xinxin Yang; Haohong Chen; Manrong Li; Jingtai Zhao","Hydrothermal Synthesis and Characterization of Two Organically Templated Cadmium Borophosphates with Novel Structures","Inorganic Chemistry","2004","43","","3910","3914","10.1021/ic0498034","","","0.71073","MoKα","","0.0378","0.029","","","0.072","0.0745","","","","","","1.096","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311188","16.501","0.0002","17.243","0.0003","20.387","0.0003","67.194","0.0006","67.411","0.0007","89.987","0.0005","4861.06","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H76.5 F24 N17.5 P4 Ru2 -","- C105 H76.5 F24 N17.5 P4 Ru2 -","- C210 H153 F48 N35 P8 Ru4 -","2","1","","Sheba D. Bergman; Dvora Reshef; Limor Frish; Yoram Cohen; Israel Goldberg; Moshe Kol","From Eilatin to Isoeilatin: A Skeletal Rearrangement Strongly Influences π-Stacking of Ru(II) Complex","Inorganic Chemistry","2004","43","","3792","3794","10.1021/ic049806g","","","0.71073","MoKα","","0.1305","0.0693","","","0.121","0.1442","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311189","18.915","0.0012","14.685","0.0016","16.138","0.0019","90","","113.485","0.004","90","","4111.3","0.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 Cl2 N8 O4 Ru -","- C47 H42 Cl2 N8 O4 Ru -","- C188 H168 Cl8 N32 O16 Ru4 -","4","1","","Sheba D. Bergman; Dvora Reshef; Limor Frish; Yoram Cohen; Israel Goldberg; Moshe Kol","From Eilatin to Isoeilatin: A Skeletal Rearrangement Strongly Influences π-Stacking of Ru(II) Complex","Inorganic Chemistry","2004","43","","3792","3794","10.1021/ic049806g","","","0.71073","MoKα","","0.1194","0.0622","","","0.1429","0.1673","","","","","","1.027","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311190","10.2237","0.0002","19.79","0.0004","21.1923","0.0004","90","","90","","90","","4287.77","0.15","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 Cl3 Mn2 N6 O16 -","- C36 H45 Cl3 Mn2 N6 O16 -","- C144 H180 Cl12 Mn8 N24 O64 -","4","1","","Kenneth Bendix Jensen; Edel Johansen; Frank Bartnik Larsen; Christine J. McKenzie","Mixed Carboxylate-Bridged Dimanganese(II/III) Compounds Prepared by an O~2~-dependent oxidative cleavage of ketones","Inorganic Chemistry","2004","43","","3801","3803","10.1021/ic0498135","","","0.71073","MoKα","","0.0336","0.0316","","","0.0774","0.0794","","","","","","1.107","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311191","12.271","0.002","22.126","0.005","16.473","0.003","90","","95.599","0.005","90","","4451.2","1.5","120","","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Mn2 bpbp (acetate)2](ClO4)2. CH3CN","","","- C42 H48 Cl2 Mn2 N7 O13 -","- C42 H39 Cl2 Mn2 N7 O13 -","- C168 H156 Cl8 Mn8 N28 O52 -","4","1","","Kenneth Bendix Jensen; Edel Johansen; Frank Bartnik Larsen; Christine J. McKenzie","Mixed Carboxylate-Bridged Dimanganese(II/III) Compounds Prepared by an O~2~-dependent oxidative cleavage of ketones","Inorganic Chemistry","2004","43","","3801","3803","10.1021/ic0498135","","","0.71073","MoKα","","","0.097","","","","0.088","","","","","","1.595","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311192","10.983","0.001","6.4613","0.0006","8.8508","0.0008","90","","104.786","0.002","90","","607.29","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 F4 O4 S -","- C2 F4 O4 S -","- C8 F16 O16 S4 -","4","1","","Della Védova, Carlos O.; Downs, Anthony J.; Novikov, Vladimir P.; Oberhammer, Heinz; Parsons, Simon; Romano, Rosana M.; Zawadski, Alex","Fluorocarbonyl Trifluoromethanesulfonate, FC(O)OSO2CF3: Structure and Conformational Properties in the Gaseous and Condensed Phases","Inorganic Chemistry","2004","43","13","4064","4071","10.1021/ic049865u","","","0.71073","MoKα","","0.0411","0.0369","","0.0795","0.0771","0.0795","","","","","","0.9094","","","","has coordinates","265552","2021-05-27","09:14:05",""
"4311193","16.3521","0.0018","7.6666","0.0008","16.5128","0.0018","90","","111.108","0.002","90","","1931.2","0.4","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl N2 O3 Re S2 -","- C18 H16 Cl N2 O3 Re S2 -","- C72 H64 Cl4 N8 O12 Re4 S8 -","4","1","","Lee D. McPherson; Markus Drees; Saeed I. Khan; Thomas Strassner; Mahdi M. Abu-Omar","Multielectron Atom Transfer Reactions of Perchlorate and Other Substrates Catalyzed by Rhenium Oxazoline and Thiazoline Complexes: Reaction Kinetics, Mechanisms, and Density Functional Theory Calculations","Inorganic Chemistry","2004","43","","4036","4050","10.1021/ic0498945","","","0.71073","MoKα","","0.0395","0.037","","","0.1041","0.106","","","","","","1.08","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311194","9.3884","0.0014","9.9732","0.0015","10.9684","0.0016","101.743","0.002","111.077","0.002","103.221","0.003","885.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl N2 O6 Re -","- C18 H16 Cl N2 O6 Re -","- C36 H32 Cl2 N4 O12 Re2 -","2","1","","Lee D. McPherson; Markus Drees; Saeed I. Khan; Thomas Strassner; Mahdi M. Abu-Omar","Multielectron Atom Transfer Reactions of Perchlorate and Other Substrates Catalyzed by Rhenium Oxazoline and Thiazoline Complexes: Reaction Kinetics, Mechanisms, and Density Functional Theory Calculations","Inorganic Chemistry","2004","43","","4036","4050","10.1021/ic0498945","","","0.71073","MoKα","","0.0231","0.0229","","","0.0612","0.0614","","","","","","1.11","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311195","5.6046","0.0001","11.3605","0.0003","7.5851","0.0002","90","","90","","90","","482.95","0.02","150","2","150","2","","","","","","","synthesis as described","3","C m c a","-C 2ac 2","64","Barium Silicon Nitride","Barium Silicon Nitride","","- Ba N2 Si -","- Ba N2 Si -","- Ba8 N16 Si8 -","8","","","Zoltán A. Gál; Phillip M. Mallinson; Heston J. Orchard; Simon J. Clarke","Synthesis and Structure of Alkaline Earth Silicon Nitrides: BaSiN2, SrSiN2, and CaSiN2","Inorganic Chemistry","2004","43","","3998","4006","10.1021/ic049901p","","x-ray","0.71073","MoKα","","0.0155","0.0138","","","0.0282","0.0286","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311196","5.975","0.0005","7.2826","0.0007","5.4969","0.0004","90","","113.496","0.004","90","","219.36","0.03","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","Strontium Silicon Nitride","Strontium Silicon DiNitride","","- N2 Si Sr -","- N2 Si Sr -","- N8 Si4 Sr4 -","4","1","","Zoltán A. Gál; Phillip M. Mallinson; Heston J. Orchard; Simon J. Clarke","Synthesis and Structure of Alkaline Earth Silicon Nitrides: BaSiN2, SrSiN2, and CaSiN2","Inorganic Chemistry","2004","43","","3998","4006","10.1021/ic049901p","","x-ray","0.71073","MoKα","","0.0825","0.0457","","","0.0791","0.0885","","","","","","1.047","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311197","5.1229","0.0003","10.2074","0.0006","14.8233","0.0009","90","","90","","90","","775.13","0.08","150","2","150","2","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","Calcium Silicon Nitride","Calcium Silicon DiNitride","","- Ca8 N16 Si8 -","- Ca8 N16 Si8 -","- Ca16 N32 Si16 -","2","0.25","","Zoltán A. Gál; Phillip M. Mallinson; Heston J. Orchard; Simon J. Clarke","Synthesis and Structure of Alkaline Earth Silicon Nitrides: BaSiN2, SrSiN2, and CaSiN2","Inorganic Chemistry","2004","43","","3998","4006","10.1021/ic049901p","","x-ray","0.71073","MoKα","","0.0781","0.0392","","","0.0851","0.0988","","","","","","1.025","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311198","10.159","0.002","11.37","0.002","15.162","0.003","68.83","0.03","86.69","0.03","80.87","0.03","1612.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 F12 Mn N3 O6 -","- C26 H20 F12 Mn N3 O6 -","- C52 H40 F24 Mn2 N6 O12 -","2","1","","Hongmei Wang; Zhiliang Liu; Caiming Liu; Deqing Zhang; Zhengliang Lü; Hua Geng; Zhigang Shuai; Daoben Zhu","Coordination Complexes of 2-(4-Quinolyl)nitronyl Nitroxide with M(hfac)2 [M = Mn(II), Co(II), and Cu(II)]: Syntheses, Crystal Structures, and Magnetic Characterization","Inorganic Chemistry","2004","43","","4091","4098","10.1021/ic049946q","","","0.71073","MoKα","","0.3617","0.1057","","","0.2464","0.3144","","","","","","0.69","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311199","30.184","0.006","10.69","0.002","21.586","0.004","90","","104.2","0.03","90","","6752","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Co F12 N3 O7 -","- C26 H20 Co F12 N3 O7 -","- C208 H160 Co8 F96 N24 O56 -","8","1","","Hongmei Wang; Zhiliang Liu; Caiming Liu; Deqing Zhang; Zhengliang Lü; Hua Geng; Zhigang Shuai; Daoben Zhu","Coordination Complexes of 2-(4-Quinolyl)nitronyl Nitroxide with M(hfac)2 [M = Mn(II), Co(II), and Cu(II)]: Syntheses, Crystal Structures, and Magnetic Characterization","Inorganic Chemistry","2004","43","","4091","4098","10.1021/ic049946q","","","0.71073","MoKα","","0.2577","0.0642","","","0.1209","0.1682","","","","","","0.675","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311200","8.789","0.002","13.433","0.003","14.647","0.003","76.48","0.03","72.61","0.03","75.92","0.03","1576.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cu F12 N3 O6 -","- C26 H20 Cu F12 N3 O6 -","- C52 H40 Cu2 F24 N6 O12 -","2","1","","Hongmei Wang; Zhiliang Liu; Caiming Liu; Deqing Zhang; Zhengliang Lü; Hua Geng; Zhigang Shuai; Daoben Zhu","Coordination Complexes of 2-(4-Quinolyl)nitronyl Nitroxide with M(hfac)2 [M = Mn(II), Co(II), and Cu(II)]: Syntheses, Crystal Structures, and Magnetic Characterization","Inorganic Chemistry","2004","43","","4091","4098","10.1021/ic049946q","","","0.71073","MoKα","","0.1087","0.0527","","","0.1301","0.1525","","","","","","0.912","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311201","7.594","0.007","21.348","0.007","10.133","0.002","90","","96.32","0.04","90","","1632.7","1.6","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cl4 N3 Ru S3 -","- C9 Cl4 N3 Ru S3 -","- C36 Cl16 N12 Ru4 S12 -","4","1","","Pasquale Mura; Mercedes Camalli; Luigi Messori; Francesca Piccioli; Piero Zanello; Maddalena Corsini","Synthesis, Structural Characterization, Solution Chemistry, and Preliminary Biological Studies of the Ruthenium(III) Complexes [TzH][trans-RuCl4(Tz)2] and [TzH][trans-RuCl4(DMSO)(Tz)].(DMSO), the Thiazole Analogues of Antitumor ICR and NAMI-A","Inorganic Chemistry","2004","43","","3863","3870","10.1021/ic0354116","","","1.54178","CuKa","","0.057","0.057","","0.076","0.076","0.076","","","0.951","0.951","0.951","0.951","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311202","7.2","0.002","15.87","0.003","14.529","0.002","90","","92.05","0.01","90","","1659.1","0.6","295.2","","295.2","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 Cl Co N3 O2 Pt0.5 S3 -","- C9 H12 Cl Co N3 O2 Pt0.25 S3 -","- C36 H48 Cl4 Co4 N12 O8 Pt S12 -","4","1","","Masakazu Hirotsu; Ryota Endo; Takashi Yoshimura; Takumi Konno","Sulfur-Bridged CoIIIPtIICoIII Trinuclear Complexes with Mixed Aliphatic and Aromatic Thiolate Ligands: Effect of Nonbridging Ligands on the Homochiral Linkage of Cobalt(III) Octahedrons by Platinum(II)","Inorganic Chemistry","2004","43","","4406","4414","10.1021/ic0303338","","","0.7107","MoKα","","","0.0365","","","0.0304","","","","","1.587","1.587","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311203","14.963","0.002","16.662","0.002","13.979","0.001","90","","90","","90","","3485.2","0.7","293.2","","293.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C14 H37 Cl3 Co2 N8 O13 Pt S5 -","- C14 H35 Cl3 Co2 N8 O13 Pt S5 -","- C56 H140 Cl12 Co8 N32 O52 Pt4 S20 -","4","1","","Masakazu Hirotsu; Ryota Endo; Takashi Yoshimura; Takumi Konno","Sulfur-Bridged CoIIIPtIICoIII Trinuclear Complexes with Mixed Aliphatic and Aromatic Thiolate Ligands: Effect of Nonbridging Ligands on the Homochiral Linkage of Cobalt(III) Octahedrons by Platinum(II)","Inorganic Chemistry","2004","43","","4406","4414","10.1021/ic0303338","","","0.7107","MoKα","","","0.0382","","","0.0278","","","","","1.655","1.655","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311204","15.9426","0.0019","9.6982","0.0008","16.4515","0.0019","90","","98.977","0.014","90","","2512.5","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C25 H16 N9 Pt Tl -","- C25 H16 N9 Pt Tl -","- C100 H64 N36 Pt4 Tl4 -","4","0.5","","Guibin Ma; Mikael Kritikos; Mikhail Maliarik; Julius Glaser","Modification of Binuclear Pt-Tl Bonded Complexes by Attaching Bipyridine Ligands to the Thallium Site","Inorganic Chemistry","2004","43","","4328","4340","10.1021/ic034571e","","","0.71073","MoKα","","0.0391","0.0187","","","0.0417","0.0459","","","","","","0.828","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311205","10.9234","0.0014","36.522","0.004","12.0265","0.0014","90","","90.076","0.015","90","","4797.9","1","243","1","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cl3 N6 O15 S3 Tl -","- C35.38 H40.14 Cl3 N6 O15 S3 Tl -","- C141.52 H160.56 Cl12 N24 O60 S12 Tl4 -","4","1","","Guibin Ma; Mikael Kritikos; Mikhail Maliarik; Julius Glaser","Modification of Binuclear Pt-Tl Bonded Complexes by Attaching Bipyridine Ligands to the Thallium Site","Inorganic Chemistry","2004","43","","4328","4340","10.1021/ic034571e","","","0.71073","MoKα","","0.0583","0.0447","","","0.1264","0.1447","","","","","","1.156","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4311206","9.4293","0.0009","17.335","0.002","18.2837","0.0019","90","","104.484","0.012","90","","2893.6","0.6","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N7 O3 Pt S3 Tl -","- C21 H26 N7 O3 Pt S3 Tl -","- C84 H104 N28 O12 Pt4 S12 Tl4 -","4","1","","Guibin Ma; Mikael Kritikos; Mikhail Maliarik; Julius Glaser","Modification of Binuclear Pt-Tl Bonded Complexes by Attaching Bipyridine Ligands to the Thallium Site","Inorganic Chemistry","2004","43","","4328","4340","10.1021/ic034571e","","","0.71073","MoKα","","0.1127","0.0423","","","0.0794","0.0928","","","","","","0.786","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311207","9.692","0.002","12.177","0.002","15.156","0.003","88.413","0.003","84.678","0.003","69.28","0.003","1665.8","0.6","153.2","","153.2","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N2 O2 Sn -","- C36 N2 O2 Sn -","- C72 N4 O4 Sn2 -","2","1","","Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen","(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide","Inorganic Chemistry","2004","43","","4315","4327","10.1021/ic034855z","","","0.7107","MoKα","","0.1122","0.049","","0.136","","0.049","","","2.193","","","2.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311208","10.744","0.001","23.4428","0.001","26.698","0.004","90","","90","","90","","6724.4","1.2","153.2","","153.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 O2 Sn -","- C34.59 N2 O2 Sn -","- C276.72 N16 O16 Sn8 -","8","2","","Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen","(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide","Inorganic Chemistry","2004","43","","4315","4327","10.1021/ic034855z","","","0.7107","MoKα","","0.1319","0.05","","0.109","","0.046","","","2.334","","","2.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311209","9.9933","0.0007","12.6633","0.0009","29.922","0.002","90","","90","","90","","3786.6","0.5","153.2","","153.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Cl5 N2 O2 Sn -","- C33 H47 Cl5 N2 O2 Sn -","- C132 H188 Cl20 N8 O8 Sn4 -","4","1","","Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen","(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide","Inorganic Chemistry","2004","43","","4315","4327","10.1021/ic034855z","","","0.7107","MoKα","","0.042","0.039","","0.0859","","0.0604","","","12.262","","","2.8","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311210","11.419","0.002","13.057","0.002","13.845","0.003","75.089","0.003","76.771","0.003","89.064","0.003","1939.8","0.6","153.2","","153.2","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H48 Br2 Cl2 N2 O2 Sn -","- C37 Br2 Cl2 N2 O2 Sn -","- C74 Br4 Cl4 N4 O4 Sn2 -","2","1","","Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen","(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide","Inorganic Chemistry","2004","43","","4315","4327","10.1021/ic034855z","","","0.7107","MoKα","","0.1057","0.039","","0.089","","0.039","","","1.344","","","1.67","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311211","12.444","0.002","26.662","0.004","12.924","0.002","90","","94.354","0.003","90","","4275.6","1.1","153.2","","153.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H51 Br2 N2 O2 Sn -","- C42.9985 H51 Br2 N2 O2 Sn -","- C171.994 H204 Br8 N8 O8 Sn4 -","4","2","","Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen","(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide","Inorganic Chemistry","2004","43","","4315","4327","10.1021/ic034855z","","","0.7107","MoKα","","0.1343","0.039","","0.097","","0.035","","","1.258","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311212","12.778","0.003","26.361","0.006","13.618","0.003","90","","92.459","0.003","90","","4582.9","1.8","153.2","","153.2","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 Cl4 F6 N2 O8 S2 Sn -","- C36 H50 Cl4 F6 N2 O8 S2 Sn -","- C144 H200 Cl16 F24 N8 O32 S8 Sn4 -","4","0.5","","Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen","(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide","Inorganic Chemistry","2004","43","","4315","4327","10.1021/ic034855z","","","0.7107","MoKα","","0.0708","0.046","","0.086","","0.042","","","2.851","","","2.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311213","24.67","0.04","18.26","0.03","22.58","0.03","90","","104.58","0.05","90","","9844","3","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","(NEt4)2[Ca{OCOC6H3(NHCO-t-Bu)2}4]-2(CH3CN)-Et2O","","- C92 H148 Ca N12 O17 -","- C92 H148 Ca N12 O17 -","- C368 H592 Ca4 N48 O68 -","4","1","","Akira Onoda; Yusuke Yamada; Yoshiki Nakayama; Kazuyuki Takahashi; Hiroshi Adachi; Taka-aki Okamura; Akira Nakamura; Hitoshi Yamamoto; Norikazu Ueyama; Drahomir Vyprachticky; Yoshi Okamoto","Stabilization of Calcium- and Terbium-Carboxylate Bonds by NH...O Hydrogen Bonds in a Mononuclear Complex: A Functional Model of the Active Site of Calcium-Binding Proteins","Inorganic Chemistry","2004","43","","4447","4455","10.1021/ic035075t","","","0.71075","MoKα","","0.1445","0.0563","","","0.0762","0.0831","","","","","","1","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311214","18.464","0.002","13.6955","0.0014","26.228","0.004","90","","109.301","0.004","90","","6259.6","1.3","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Tb{OCOC6H3(NHCO-t-Bu)2}3(H2O)3]-2(H2O)-THF","","- C55 H87 N6 O18 Tb -","- C55 H77 N6 O18 Tb -","- C220 H308 N24 O72 Tb4 -","4","1","","Akira Onoda; Yusuke Yamada; Yoshiki Nakayama; Kazuyuki Takahashi; Hiroshi Adachi; Taka-aki Okamura; Akira Nakamura; Hitoshi Yamamoto; Norikazu Ueyama; Drahomir Vyprachticky; Yoshi Okamoto","Stabilization of Calcium- and Terbium-Carboxylate Bonds by NH...O Hydrogen Bonds in a Mononuclear Complex: A Functional Model of the Active Site of Calcium-Binding Proteins","Inorganic Chemistry","2004","43","","4447","4455","10.1021/ic035075t","","","0.71069","MoKα","","0.0989","0.0635","","","0.148","0.158","","","","","","1.009","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311215","14.1181","0.0004","25.0087","0.0007","27.8505","0.0007","90","","100.188","0.001","90","","9678.3","0.5","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(NMe4)[Tb{OCOC6H3(NHCO-t-Bu)3}4(thf)]-3.5(THF)","","- C90 H140 N9 O20.5 Tb -","- C90 H140 N9 O20.5 Tb -","- C360 H560 N36 O82 Tb4 -","4","1","","Akira Onoda; Yusuke Yamada; Yoshiki Nakayama; Kazuyuki Takahashi; Hiroshi Adachi; Taka-aki Okamura; Akira Nakamura; Hitoshi Yamamoto; Norikazu Ueyama; Drahomir Vyprachticky; Yoshi Okamoto","Stabilization of Calcium- and Terbium-Carboxylate Bonds by NH...O Hydrogen Bonds in a Mononuclear Complex: A Functional Model of the Active Site of Calcium-Binding Proteins","Inorganic Chemistry","2004","43","","4447","4455","10.1021/ic035075t","","","0.71069","MoKα","","0.1598","0.0627","","","0.0984","0.1105","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311216","29.311","0.004","17.068","0.002","14.0209","0.0019","90","","90","","90","","7014.4","1.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[Fe(III)OMTPP(t-BuNC)2]ClO4","bis{tert-butylisocyanide}octamethyltetraphenylporphyrinato Iron(III) perchloride","","- C80 H99 Cl3 Fe N6 O4 -","- C80 H99 Cl3 Fe N6 O4 -","- C320 H396 Cl12 Fe4 N24 O16 -","4","0.5","","Liliya A. Yatsunyk; F. Ann Walker","NMR and EPR Spectroscopic and Structural Studies of Low-Spin, (dxz,dyz)4(dxy)1 Ground State Fe(III) Bis-tert-Butylisocyanide Complexes of Dodecasubstituted Porphyrins","Inorganic Chemistry","2004","43","","4341","4352","10.1021/ic035242p","","","0.71073","MoKα","","0.1413","0.0637","","","0.1504","0.2041","","","","","","1.061","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4311217","12.302","0.006","17.698","0.008","14.257","0.007","90","","114.873","0.005","90","","2816","2","170","2","170","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","[Fe(III)OMTPP(t-BuNC)2]ClO4","bis{tert-butylisocyanide}octamethyltetraphenylporphyrinato Iron(III) perchloride","","- C63 H64 Cl3 Fe N6 O4 -","- C63 H64 Cl3 Fe N6 O4 -","- C126 H128 Cl6 Fe2 N12 O8 -","2","0.5","","Liliya A. Yatsunyk; F. Ann Walker","NMR and EPR Spectroscopic and Structural Studies of Low-Spin, (dxz,dyz)4(dxy)1 Ground State Fe(III) Bis-tert-Butylisocyanide Complexes of Dodecasubstituted Porphyrins","Inorganic Chemistry","2004","43","","4341","4352","10.1021/ic035242p","","","0.71073","MoKα","","0.1206","0.0535","","","0.0912","0.1042","","","","","","0.877","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4311218","15.049","0.003","9.932","0.002","19.246","0.004","90","","94.21","0.03","90","","2868.9","1","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Cl2 Mn N6 O9 -","- C26 H28 Cl2 Mn N6 O9 -","- C104 H112 Cl8 Mn4 N24 O36 -","4","0.5","","Christelle Hureau; Sébastien Blanchard; Martine Nierlich; Guillaume Blain; Eric Rivière; Jean-Jacques Girerd; Elodie Anxolabéhère-Mallart; Geneviève Blondin","Controlled Redox Conversion of New X-ray-Characterized Mono- and Dinuclear Heptacoordinated Mn(II) Complexes into Di-μ-oxo-dimanganese Core Complexes","Inorganic Chemistry","2004","43","","4415","4426","10.1021/ic035332u","","","0.71073","MoKα","","0.0539","0.0347","","","0.0805","0.0875","","","","","","1.042","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311219","15.096","0.003","10.105","0.002","19.443","0.004","90","","94.5","0.03","90","","2956.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Cl2 Mn N6 O9 -","- C26 H28 Cl2 Mn N6 O9 -","- C104 H112 Cl8 Mn4 N24 O36 -","4","0.5","","Christelle Hureau; Sébastien Blanchard; Martine Nierlich; Guillaume Blain; Eric Rivière; Jean-Jacques Girerd; Elodie Anxolabéhère-Mallart; Geneviève Blondin","Controlled Redox Conversion of New X-ray-Characterized Mono- and Dinuclear Heptacoordinated Mn(II) Complexes into Di-μ-oxo-dimanganese Core Complexes","Inorganic Chemistry","2004","43","","4415","4426","10.1021/ic035332u","","","0.71073","MoKα","","0.088","0.0434","","","0.0979","0.1163","","","","","","0.999","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311220","12.707","0.003","12.824","0.003","19.052","0.004","102.71","0.03","97.83","0.03","98.15","0.03","2952.5","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H64 Cl3 Mn2 N12 O14.5 -","- C56 H59 Cl3 Mn2 N12 O14.5 -","- C112 H118 Cl6 Mn4 N24 O29 -","2","1","","Christelle Hureau; Sébastien Blanchard; Martine Nierlich; Guillaume Blain; Eric Rivière; Jean-Jacques Girerd; Elodie Anxolabéhère-Mallart; Geneviève Blondin","Controlled Redox Conversion of New X-ray-Characterized Mono- and Dinuclear Heptacoordinated Mn(II) Complexes into Di-μ-oxo-dimanganese Core Complexes","Inorganic Chemistry","2004","43","","4415","4426","10.1021/ic035332u","","","0.71073","MoKα","","0.0666","0.0491","","","0.1612","0.1914","","","","","","0.791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311221","13.792","0.005","17.771","0.005","17.835","0.005","102.365","0.005","106.392","0.005","106.125","0.005","3820","2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H69 Cr Fe3 N15 O6 -","- C66 H69 Cr Fe3 N15 O6 -","- C132 H138 Cr2 Fe6 N30 O12 -","2","1","","Radovan Herchel; Roman Boča; Milan Gembický; Jozef Kožísek; Franz Renz","Spin Crossover in a Tetranuclear Cr(III)-Fe(III)3 Complex","Inorganic Chemistry","2004","43","","4103","4105","10.1021/ic035374i","","","0.71069","MoKα","","0.1736","0.1425","","","0.3958","0.4274","","","","","","1.904","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311222","15.2067","0.0017","16.7331","0.0018","33.165","0.004","89.474","0.002","81.06","0.002","78.858","0.002","8177.5","1.6","133","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H132 Cl4 Mn21 N18 O77 -","- C97 H109 Cl4 Mn21 N11 O73.132 -","- C194 H218 Cl8 Mn42 N22 O146.264 -","2","1","","E. Carolina Sañudo; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Synthesis, Structure, and Magnetic Properties of a Mn21 Single-Molecule Magnet","Inorganic Chemistry","2004","43","","4137","4144","10.1021/ic0353864","","","0.71073","MoKα","","0.137","0.0658","","","0.169","0.187","","","","","","0.834","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311223","11.7079","0.0005","12.8554","0.0005","16.8605","0.0006","90","","100.666","0.002","90","","2493.83","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triphenylsulfonium manganese(II) tris(dicyanamide)","","- C24 H15 Mn N9 S -","- C24 H15 Mn N9 S -","- C96 H60 Mn4 N36 S4 -","4","1","","John A. Schlueter; Jamie L. Manson; Kylee A. Hyzer; Urs Geiser","Spin Canting in the 3D Anionic Dicyanamide Structure (SPh~3~)Mn(dca)~3~ (Ph = phenyl, dca = dicyanamide)","Inorganic Chemistry","2004","43","","4100","4102","10.1021/ic035398p","","","0.71073","MoKα","","0.0503","0.035","","","0.0986","0.1079","","","","","","1.064","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311224","30.159","0.005","12.383","0.005","16.257","0.005","90","","104.606","0.005","90","","5875","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl2 F6 N O3 P2 Pd -","- C24 H29 Cl2 F6 N O3 P2 Pd -","- C192 H232 Cl16 F48 N8 O24 P16 Pd8 -","8","2","","Jing Zhang; Pierre Braunstein; Richard Welter","Stable, Chloride-Induced Monohapto-Bonding Mode for an Allyl Ligand in a Pd(II) Complex Bearing a New Bidentate Phosphonite-Oxazoline Ligand","Inorganic Chemistry","2004","43","","4172","4177","10.1021/ic035479l","","","0.71069","MoKα","","0.1057","0.073","","","0.1866","0.202","","","","","","1.092","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311225","17.586","0.004","14.211","0.003","12.943","0.003","90","","109.96","0.03","90","","3040.3","1.3","133","2","133","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C39 H80 Cl2 N13 O20 P Zn4 -","- C39 H66 Cl2 N13 O20.22 P Zn4 -","- C78 H132 Cl4 N26 O40.44 P2 Zn8 -","2","0.5","","Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow","Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases","Inorganic Chemistry","2004","43","","4189","4202","10.1021/ic035491d","","","0.71073","MoKα","","0.0644","0.0617","","","0.1468","0.1486","","","","","","1.034","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311226","19.1705","0.001","18.2978","0.001","48.448","0.003","90","","90","","90","","16994.5","1.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H70 Cl2 N8 O11 Zn2 -","- C31 H69 Cl2 N8 O11 Zn2 -","- C496 H1104 Cl32 N128 O176 Zn32 -","16","2","","Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow","Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases","Inorganic Chemistry","2004","43","","4189","4202","10.1021/ic035491d","","","0.71073","MoKα","","0.068","0.0472","","","0.1035","0.113","","","","","","1.04","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4311227","9.5207","0.0004","12.1629","0.0005","16.0064","0.0007","90","","99.78","0.001","90","","1826.59","0.13","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H58 Cl2 N8 O9 Zn2 -","- C29 H58 Cl2 N8 O9 Zn2 -","- C58 H116 Cl4 N16 O18 Zn4 -","2","1","","Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow","Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases","Inorganic Chemistry","2004","43","","4189","4202","10.1021/ic035491d","","","0.71073","MoKα","","0.0442","0.0353","","","0.0772","0.0855","","","","","","1.022","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4311228","13.064","0.003","13.314","0.003","49.814","0.01","90","","93.19","0.03","90","","8651","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H67 Cl2 N8 O12 P Zn2 -","- C31 H67 Cl2 N8 O12 P Zn2 -","- C248 H536 Cl16 N64 O96 P8 Zn16 -","8","2","","Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow","Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases","Inorganic Chemistry","2004","43","","4189","4202","10.1021/ic035491d","","","1.54178","CuKα","","0.0281","0.0275","","","0.0689","0.0694","","","","","","1.054","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311229","11.127","0.002","7.9082","0.0016","31.715","0.006","90","","95.89","0.03","90","","2776","0.9","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H37 N8 O10 P Zn2 -","- C17 H37 N8 O10 P Zn2 -","- C68 H148 N32 O40 P4 Zn8 -","4","1","","Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow","Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases","Inorganic Chemistry","2004","43","","4189","4202","10.1021/ic035491d","","","0.71073","MoKα","","0.073","0.0389","","","0.0665","0.0726","","","","","","1.007","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311230","10.2153","0.0006","12.3643","0.0007","13.8577","0.0009","90","","90","","90","","1750.3","0.18","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(bpb)Ru(NO)(Cl)]","","","- C18 H12 Cl N5 O3 Ru -","- C18 H12 Cl N5 O3 Ru -","- C72 H48 Cl4 N20 O12 Ru4 -","4","1","","Apurba K. Patra; Michael J. Rose; Karen A. Murphy; Marilyn M. Olmstead; Pradip K. Mascharak","Photolabile Ruthenium Nitrosyls with Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane and Axial Ligand Strength on NO Release","Inorganic Chemistry","2004","43","","4487","4495","10.1021/ic040030t","","","0.71073","MoKα","","0.0218","0.0196","","","0.0507","0.0524","","","","","","1.052","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311231","10.0026","0.0019","30.898","0.006","8.2255","0.0016","90","","99.93","0.004","90","","2504.1","0.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(Me2bpb)Ru(NO)(Cl)]^.^toluene","","","- C27 H24 Cl N5 O3 Ru -","- C27 H24 Cl N5 O3 Ru -","- C108 H96 Cl4 N20 O12 Ru4 -","4","1","","Apurba K. Patra; Michael J. Rose; Karen A. Murphy; Marilyn M. Olmstead; Pradip K. Mascharak","Photolabile Ruthenium Nitrosyls with Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane and Axial Ligand Strength on NO Release","Inorganic Chemistry","2004","43","","4487","4495","10.1021/ic040030t","","","0.71073","MoKα","","0.0661","0.044","","","0.092","0.0999","","","","","","1.103","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311232","8.894","0.002","10.969","0.003","12.991","0.003","97.56","0.007","97.412","0.012","97.951","0.007","1230.2","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[(Me2bpb)Ru(NO)(py)](BF4)","","","- C25 H21 B F4 N6 O3 Ru -","- C25 H21 B F4 N6 O3 Ru -","- C50 H42 B2 F8 N12 O6 Ru2 -","2","1","","Apurba K. Patra; Michael J. Rose; Karen A. Murphy; Marilyn M. Olmstead; Pradip K. Mascharak","Photolabile Ruthenium Nitrosyls with Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane and Axial Ligand Strength on NO Release","Inorganic Chemistry","2004","43","","4487","4495","10.1021/ic040030t","","","0.71073","MoKα","","0.0609","0.0455","","","0.1148","0.1271","","","","","","1.078","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311233","9.4257","0.0007","12.8471","0.001","12.8518","0.001","114.395","0.002","90.09","0.002","91.813","0.003","1416.43","0.19","186","2","186","2","","","","","","","","6","P -1","-P 1","2","[(Me2bqb)Ru(NO)Cl].DMF","","","- C31 H27 Cl N6 O4 Ru -","- C31 H27 Cl N6 O4 Ru -","- C62 H54 Cl2 N12 O8 Ru2 -","2","1","","Apurba K. Patra; Michael J. Rose; Karen A. Murphy; Marilyn M. Olmstead; Pradip K. Mascharak","Photolabile Ruthenium Nitrosyls with Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane and Axial Ligand Strength on NO Release","Inorganic Chemistry","2004","43","","4487","4495","10.1021/ic040030t","","","0.71073","MoKα","","0.0412","0.0321","","","0.0786","0.0852","","","","","","1.076","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311234","8.4905","0.0006","11.1557","0.0008","11.1217","0.0008","90","","111.443","0.002","90","","980.5","0.12","295","2","295","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","heptazirconium tetraantimonide","heptazirconium tetraantimonide","","- Sb3.93 Zr7 -","- Sb3.935 Zr7 -","- Sb15.74 Zr28 -","4","1","","Andriy V. Tkachuk; Arthur Mar","Zr7Sb4: A New Binary Zirconium-Rich Antimonide","Inorganic Chemistry","2004","43","","4400","4405","10.1021/ic040034y","","","0.71073","MoKα","","0.0562","0.0402","","","0.0778","0.082","","","","","","1.07","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311235","15.1465","0.0003","18.1848","0.0012","6.8557","0.0005","90","","92.751","0.004","90","","1886.13","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br3 Cu2 N5 O4 -","- C12 H16 Br3 Cu2 N5 O4 -","- C48 H64 Br12 Cu8 N20 O16 -","4","1","","Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard","Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies","Inorganic Chemistry","2004","43","","4278","4288","10.1021/ic040036i","","","0.71073","MoKα","","0.0545","0.0419","","","0.098","0.1027","","","","","","1.213","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311236","9.1413","0.0001","10.4723","0.0001","10.9411","0.0001","100.769","0.001","106.271","0.001","103.447","0.001","941.585","0.019","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 Br3 Cu2 N7 O4 -","- C10 H13.5 Br3 Cu2 N7 O4 -","- C20 H27 Br6 Cu4 N14 O8 -","2","1","","Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard","Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies","Inorganic Chemistry","2004","43","","4278","4288","10.1021/ic040036i","","","0.71073","MoKα","","0.0395","0.0279","","0.0582","0.0529","","","","1.117","1.122","1.122","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311237","7.9487","0.0006","14.3336","0.001","13.0014","0.0009","90","","90","","90","","1481.29","0.18","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H13 Cl Cu N4 O2 -","- C15 H13 Cl Cu N4 O2 -","- C60 H52 Cl4 Cu4 N16 O8 -","4","1","","Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard","Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies","Inorganic Chemistry","2004","43","","4278","4288","10.1021/ic040036i","","","0.71069","MoKα","","0.0232","0.0221","","","0.0594","0.0603","","","","","","1.051","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311238","12.406","0.002","22.157","0.003","10.704","0.002","90","","106.21","0.01","90","","2825.3","0.8","299.2","","299.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br2 Cu2 N7 O5.5 S -","- C23 H22 Br2 Cu2 N7 O5.5 S -","- C92 H88 Br8 Cu8 N28 O22 S4 -","4","1","","Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard","Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies","Inorganic Chemistry","2004","43","","4278","4288","10.1021/ic040036i","","","0.7107","MoKα","","0.1979","0.065","","0.071","","0.059","","","1.345","","","1.71","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311239","14.4439","0.0006","12.8079","0.0005","16.424","0.0007","90","","105.199","0.001","90","","2932.1","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Cu4 N20 O18 -","- C52 H48 Cu4 N20 O18 -","- C104 H96 Cu8 N40 O36 -","2","0.5","","Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard","Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies","Inorganic Chemistry","2004","43","","4278","4288","10.1021/ic040036i","","","0.71073","MoKα","","0.0508","0.0359","","","0.0856","0.0932","","","","","","1.017","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311240","7.834","0.003","11.797","0.004","15.281","0.003","90","","90","","90","","1412.2","0.8","299.2","","299.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","","Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard","Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies","Inorganic Chemistry","2004","43","","4278","4288","10.1021/ic040036i","","","0.7107","MoKα","","0.0501","0.05","","0.044","","0.044","","","1.383","","","1.38","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311241","8.2818","0.0009","17.886","0.002","10.8284","0.0012","90","","92.734","0.002","90","","1602.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cu N5 O5 -","- C15 H13 Cu N5 O5 -","- C60 H52 Cu4 N20 O20 -","4","1","","Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard","Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies","Inorganic Chemistry","2004","43","","4278","4288","10.1021/ic040036i","","","0.71073","MoKα","","0.0668","0.0492","","","0.1235","0.1321","","","","","","1.086","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311242","8.9685","0.0002","5.9917","0.0001","16.3758","0.0004","90","","96.9992","0.0009","90","","873.42","0.03","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C16 H20 Cl2 N2 Te -","- C16 H20 Cl2 N2 Te -","- C32 H40 Cl4 N4 Te2 -","2","1","","Jacqueline M. Ryan; Zhengtao Xu","[C6H5NH(CH3)2]2Te2I10: Secondary I...I Bonds Build up a 3D Network","Inorganic Chemistry","2004","43","","4106","4108","10.1021/ic049443k","","","0.71073","MoKα","","0.0305","0.0265","","","0.0651","0.0684","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311243","9.4787","0.0002","14.2874","0.0003","13.6869","0.0003","90","","95.1918","0.0008","90","","1845.96","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 I5 N Te -","- C8 H12 I5 N Te -","- C32 H48 I20 N4 Te4 -","4","1","","Jacqueline M. Ryan; Zhengtao Xu","[C6H5NH(CH3)2]2Te2I10: Secondary I...I Bonds Build up a 3D Network","Inorganic Chemistry","2004","43","","4106","4108","10.1021/ic049443k","","","0.71073","MoKα","","0.0791","0.0654","","","0.1848","0.1906","","","","","","1.172","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311244","11.227","0.004","11.267","0.004","16.09","0.006","90","","103.75","0.004","90","","1977","1.2","110","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H18 Cl2 Co N4 O -","- C21 H18 Cl2 Co N4 O -","- C84 H72 Cl8 Co4 N16 O4 -","4","1","","Shinya Hayami; Koichiro Hashiguchi; Gergely Juhász; Masaaki Ohba; Hisashi Ōkawa; Yonezo Maeda; Kenichi Kato; Keiichi Osaka; Masaki Takata; Katsuya Inoue","1-D Cobalt(II) Spin Transition Compound with Strong Interchain Interaction: [Co(pyterpy)Cl2].X","Inorganic Chemistry","2004","43","","4124","4126","10.1021/ic049509b","","","0.7107","MoKα","","","0.0308","","","","0.0898","","","","","","0.77","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4311245","18.0784","0.0015","18.0784","0.0015","74.607","0.009","90","","90","","120","","21117","4","298","2","298","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C24 H60 Ag8 Cl F6 O12 P7 Se12 -","- C24 H60 Ag8 Cl F6 O12 P7 Se12 -","- C288 H720 Ag96 Cl12 F72 O144 P84 Se144 -","12","0.333333","","C. W. Liu; Hsien-Chung Haia; Chiu-Mine Hung; Bidyut Kumar Santra; Ben-Jie Liaw; Zhenyang Lin; Ju-Chun Wang","New Halide-Centered Discrete AgI8 Cubic Clusters Containing Diselenophosphate Ligands, {Ag8(X)[Se2P(OR)2]6}(PF6) (X = Cl, Br; R = Et, Pr,iPr): Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4464","4470","10.1021/ic049533p","","","0.71073","MoKα","","0.0766","0.0476","","","0.1094","0.125","","","","","","1.034","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311246","18.0461","0.0013","18.0461","0.0013","75.366","0.012","90","","90","","120","","21256","4","298","2","298","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C24 H61 Ag8 Br F6 O12.5 P7 Se12 -","- C24 H60 Ag8 Br F6 O12.5 P7 Se12 -","- C288 H720 Ag96 Br12 F72 O150 P84 Se144 -","12","0.333333","","C. W. Liu; Hsien-Chung Haia; Chiu-Mine Hung; Bidyut Kumar Santra; Ben-Jie Liaw; Zhenyang Lin; Ju-Chun Wang","New Halide-Centered Discrete AgI8 Cubic Clusters Containing Diselenophosphate Ligands, {Ag8(X)[Se2P(OR)2]6}(PF6) (X = Cl, Br; R = Et, Pr,iPr): Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4464","4470","10.1021/ic049533p","","","0.71073","MoKα","","0.0911","0.0536","","","0.1366","0.1583","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311247","22.053","0.002","22.053","0.002","14.15","0.003","90","","90","","120","","5959.7","1.5","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C36 H84 Ag8 Cl F6 O12 P7 Se12 -","- C36 H84 Ag8 Cl F6 O12 P7 Se12 -","- C108 H252 Ag24 Cl3 F18 O36 P21 Se36 -","3","0.166667","","C. W. Liu; Hsien-Chung Haia; Chiu-Mine Hung; Bidyut Kumar Santra; Ben-Jie Liaw; Zhenyang Lin; Ju-Chun Wang","New Halide-Centered Discrete AgI8 Cubic Clusters Containing Diselenophosphate Ligands, {Ag8(X)[Se2P(OR)2]6}(PF6) (X = Cl, Br; R = Et, Pr,iPr): Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4464","4470","10.1021/ic049533p","","","0.71073","MoKα","","0.0879","0.0521","","","0.1222","0.1416","","","","","","1.019","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311248","22.1446","0.0018","22.1446","0.0018","14.0231","0.0018","90","","90","","120","","5955.4","1","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C36 H84 Ag8 Br F6 O12 P7 Se12 -","- C36 Ag8 Br F6 O12 P7 Se12 -","- C108 Ag24 Br3 F18 O36 P21 Se36 -","3","0.166667","","C. W. Liu; Hsien-Chung Haia; Chiu-Mine Hung; Bidyut Kumar Santra; Ben-Jie Liaw; Zhenyang Lin; Ju-Chun Wang","New Halide-Centered Discrete AgI8 Cubic Clusters Containing Diselenophosphate Ligands, {Ag8(X)[Se2P(OR)2]6}(PF6) (X = Cl, Br; R = Et, Pr,iPr): Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4464","4470","10.1021/ic049533p","","","0.71073","MoKα","","0.1397","0.0683","","","0.1572","0.1913","","","","","","1.045","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311249","23.412","0.003","20.114","0.003","7.5008","0.001","90","","99.63","0.004","90","","3482.4","0.8","293","0.2","293","0.2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Lead Niobium Tellurium Oxide","","- Nb10 O41 Pb4 Te6 -","- Nb10 O41 Pb4 Te6 -","- Nb40 O164 Pb16 Te24 -","4","0.5","","Kang Min Ok; P. Shiv Halasyamani","Asymmetric Cationic Coordination Environments in New Oxide Materials: Synthesis and Characterization of Pb4Te6M10O41 (M = Nb5+ or Ta5+)","Inorganic Chemistry","2004","43","","4248","4253","10.1021/ic049534h","","","0.71073","MoKα","","0.0423","0.0338","","","0.0903","0.0932","","","","","","1.126","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311250","17.752","0.004","17.752","0.004","72.63","0.02","90","","90","","120","","19822","8","295","2","295","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C24 H63 Br Cu8 F6 O13.5 P7 Se12 -","- C24 H60 Br Cu8 F6 O13.5 P7 Se12 -","- C288 H720 Br12 Cu96 F72 O162 P84 Se144 -","12","0.333333","","C. W. Liu; Chiu-Mine Hung; Bidyut Kumar Santra; Yi-Hua Chu; Ju-Chun Wang; Zhenyang Lin","A Nonacoordinated Bridging Selenide in a Tricapped Trigonal Prismatic Geometry Identified in Undecanuclear Copper Clusters: Syntheses, Structures, and DFT Calculations","Inorganic Chemistry","2004","43","","4306","4314","10.1021/ic049589j","","","0.71073","MoKα","","0.136","0.0657","","","0.1601","0.1962","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311251","25.229","0.013","20.655","0.01","33.56","0.016","90","","90","","90","","17488","15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 H192 Mn22 N4 O78 -","- C102 H192 Mn22 N4 O78 -","- C408 H768 Mn88 N16 O312 -","4","0.5","","Muralee Murugesu; James Raftery; Wolfgang Wernsdorfer; George Christou; Euan K. Brechin","Synthesis, Structure, and Magnetic Properties of a [Mn22] Wheel-like Single-Molecule Magnet","Inorganic Chemistry","2004","43","","4203","4209","10.1021/ic049620h","","","0.71073","MoKα","","0.2461","0.0819","","","0.2312","0.2747","","","","","","0.947","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311252","10.7492","0.0003","7.3125","0.0002","7.4387","0.0002","90","","90","","90","","584.71","0.03","220","2","220","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- O7 Ru Sm3 -","- O7 Ru Sm3 -","- O28 Ru4 Sm12 -","4","0.25","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7","Inorganic Chemistry","2004","43","","4254","4261","10.1021/ic049700l","","","0.71073","MoKα","","0.02","0.0191","","","0.0482","0.0487","","","","","","1.124","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311253","10.7412","0.0003","14.6661","0.0004","7.4154","0.0002","90","","90","","90","","1168.16","0.06","150","2","150","2","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- O7 Ru Sm3 -","- O7 Ru Sm3 -","- O56 Ru8 Sm24 -","8","2","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7","Inorganic Chemistry","2004","43","","4254","4261","10.1021/ic049700l","","","0.71073","MoKα","","0.0309","0.0279","","","0.0561","0.0579","","","","","","1.115","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311254","10.6926","0.0005","7.3087","0.0003","7.4107","0.0003","90","","90","","90","","579.14","0.04","294","2","294","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu3 O7 Ru -","- Eu3 O7 Ru -","- Eu12 O28 Ru4 -","4","0.25","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7","Inorganic Chemistry","2004","43","","4254","4261","10.1021/ic049700l","","","0.71073","MoKα","","0.03","0.0264","","","0.0546","0.0559","","","","","","1.176","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311255","10.6783","0.0003","14.6397","0.0004","7.3823","0.0002","90","","90","","90","","1154.05","0.05","150","2","150","2","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- Eu3 O7 Ru -","- Eu3 O7 Ru -","- Eu24 O56 Ru8 -","8","2","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7","Inorganic Chemistry","2004","43","","4254","4261","10.1021/ic049700l","","","0.71073","MoKα","","0.0393","0.0355","","","0.0817","0.0841","","","","","","1.079","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311256","14.2119","0.0019","27.294","0.004","29.49","0.004","90","","90","","90","","11439","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H66 B2 N8 O3 P2 Ru -","- C58 H66 B2 N8 O3 P2 Ru -","- C464 H528 B16 N64 O24 P16 Ru8 -","8","1","","Gabriele Albertin; Stefano Antoniutti; Marco Bortoluzzi; Jesus Castro-Fojo; Soledad García-Fontán","Ruthenium Tris(pyrazolyl)borate Diazo Complexes: Preparation of Aryldiazenido, Aryldiazene, and Hydrazine Derivatives","Inorganic Chemistry","2004","43","","4511","4522","10.1021/ic0497275","","","0.71073","MoKα","","0.306","0.0447","","","0.0439","0.0839","","","","","","0.68","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311257","10.2625","0.0008","12.958","0.001","14.482","0.001","67.144","0.002","81.879","0.002","74.32","0.002","1707.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H69 Ag2 Cl5 P4 Sn -","- C76 H69 Ag2 Cl5 P4 Sn -","- C76 H69 Ag2 Cl5 P4 Sn -","1","0.5","","Augusto Cingolani; E. Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Brian W. Skelton; Allan H. White","Silver Coordination Chemistry of a New Versatile ""Janus""-type N2,O2-Bichelating Donor, Formation of an Unprecedented Supramolecular Network of Binuclear Silver Building Blocks Containing a Five-Coordinate β-Diketonate, and Isolation of Unexpected Silver-Tin-Silver Heterotrimetallic Complexes from Silver Metathesis Reactions","Inorganic Chemistry","2004","43","","4387","4399","10.1021/ic0497376","","","0.71073","MoKα","","0.057","0.037","","0.051","","0.047","","","1.014","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311258","7.957","0.002","11.979","0.002","22.914","0.005","90","","91","0.03","90","","2183.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 N4 O3 Tc -","- C20 H31 N4 O3 Tc -","- C80 H124 N16 O12 Tc4 -","4","1","","Paul S. Walker; Paul M. Bergin; Martin C. Grossel; Peter N. Horton","Modeling Novel Radiopharmaceuticals: Mono-C6-Substituted PnAO Ligands (PnAO = 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione Dioxime)","Inorganic Chemistry","2004","43","","4145","4153","10.1021/ic0497634","","","0.71073","MoKα","","0.0803","0.0548","","","0.125","0.1366","","","","","","1.051","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311259","12.963","0.003","7.577","0.002","25.431","0.005","90","","91.89","0.03","90","","2496.5","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 N4 O4 Tc -","- C23 H37 N4 O4 Tc -","- C92 H148 N16 O16 Tc4 -","4","1","","Paul S. Walker; Paul M. Bergin; Martin C. Grossel; Peter N. Horton","Modeling Novel Radiopharmaceuticals: Mono-C6-Substituted PnAO Ligands (PnAO = 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione Dioxime)","Inorganic Chemistry","2004","43","","4145","4153","10.1021/ic0497634","","","0.71073","MoKα","","0.0839","0.0462","","","0.1026","0.1176","","","","","","1.037","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311260","10.678","0.002","10.852","0.002","11.052","0.002","92.05","0.03","113.21","0.03","109.55","0.03","1088.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 N5 O3 Tc -","- C20 H32 N5 O3 Tc -","- C40 H64 N10 O6 Tc2 -","2","1","","Paul S. Walker; Paul M. Bergin; Martin C. Grossel; Peter N. Horton","Modeling Novel Radiopharmaceuticals: Mono-C6-Substituted PnAO Ligands (PnAO = 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione Dioxime)","Inorganic Chemistry","2004","43","","4145","4153","10.1021/ic0497634","","","0.71073","MoKα","","0.0541","0.0367","","","0.079","0.0858","","","","","","1.051","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311261","10.867","0.002","12.248","0.002","9.617","0.002","103.64","0.03","93.66","0.03","71.47","0.03","1179.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H33 Co N6 O6 -","- C20 H33 Co N6 O6 -","- C40 H66 Co2 N12 O12 -","2","1","","Paul S. Walker; Paul M. Bergin; Martin C. Grossel; Peter N. Horton","Modeling Novel Radiopharmaceuticals: Mono-C6-Substituted PnAO Ligands (PnAO = 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione Dioxime)","Inorganic Chemistry","2004","43","","4145","4153","10.1021/ic0497634","","","0.71073","MoKα","","0.1299","0.0388","","","0.088","0.1155","","","","","","0.965","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311262","14.336","0.003","18.443","0.004","18.931","0.004","90","","99.52","0.03","90","","4936.4","1.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 B Cu F4 N4 O3 -","- C20 H35 B Cu F4 N4 O3 -","- C160 H280 B8 Cu8 F32 N32 O24 -","8","2","","Paul S. Walker; Paul M. Bergin; Martin C. Grossel; Peter N. Horton","Modeling Novel Radiopharmaceuticals: Mono-C6-Substituted PnAO Ligands (PnAO = 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione Dioxime)","Inorganic Chemistry","2004","43","","4145","4153","10.1021/ic0497634","","","0.71073","MoKα","","0.0966","0.0575","","","0.156","0.1973","","","","","","1.068","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311263","22.067","0.004","19.047","0.004","12.928","0.003","90","","104.04","0.03","90","","5271","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H39 B Cu F4 N4 O4 -","- C22 H39 B Cu F4 N4 O4 -","- C176 H312 B8 Cu8 F32 N32 O32 -","8","1","","Paul S. Walker; Paul M. Bergin; Martin C. Grossel; Peter N. Horton","Modeling Novel Radiopharmaceuticals: Mono-C6-Substituted PnAO Ligands (PnAO = 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione Dioxime)","Inorganic Chemistry","2004","43","","4145","4153","10.1021/ic0497634","","","0.71073","MoKα","","0.1136","0.0355","","","0.0817","0.1034","","","","","","0.97","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311264","8.3541","0.0008","8.7948","0.0009","10.1676","0.001","92.33","0.002","100.383","0.002","104.589","0.002","708.2","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","thallium(I) tetrakis(imidazolyl)borate","","- C12 H12 B N8 Tl -","- C12 H12 B N8 Tl -","- C24 H24 B2 N16 Tl2 -","2","1","","Barton H. Hamilton; Christopher J. Ziegler","Lead and Thallium Tetrakis(imidazolyl)borates: Modifying Structure by Varying Metal and Anion","Inorganic Chemistry","2004","43","","4272","4277","10.1021/ic0497984","","","0.71073","MoKα","","0.0216","0.0211","","","0.0555","0.0557","","","","","","1.089","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311265","11.8787","0.0008","11.8787","0.0008","7.0539","0.001","90","","90","","90","","995.33","0.17","100","2","100","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","Lead(II) tetrakis(4-methylimidazolyl)borate nitrate","","- C16 H20 B N9 O3 Pb -","- C16 H20 B N8 Pb -","- C32 H40 B2 N16 Pb2 -","2","0.25","","Barton H. Hamilton; Christopher J. Ziegler","Lead and Thallium Tetrakis(imidazolyl)borates: Modifying Structure by Varying Metal and Anion","Inorganic Chemistry","2004","43","","4272","4277","10.1021/ic0497984","","","0.71073","MoKα","","0.0382","0.0365","","","0.0953","0.0972","","","","","","1.127","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311266","9.2033","0.0009","9.7728","0.0009","11.2972","0.001","79.608","0.001","73.108","0.001","76.422","0.001","938.18","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Thallium(I) tetrakis(4-methylimidazolyl)borate","","- C16 H20 B N8 Tl -","- C16 H20 B N8 Tl -","- C32 H40 B2 N16 Tl2 -","2","1","","Barton H. Hamilton; Christopher J. Ziegler","Lead and Thallium Tetrakis(imidazolyl)borates: Modifying Structure by Varying Metal and Anion","Inorganic Chemistry","2004","43","","4272","4277","10.1021/ic0497984","","","0.71073","MoKα","","0.0158","0.0155","","","0.0379","0.0381","","","","","","1.13","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311267","21.919","0.002","21.919","0.002","12.603","0.002","90","","90","","120","","5243.8","1.1","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48.75 H102.75 Cl8.25 Fe6 N6 O12 -","- C48.756 H102.76 Cl8.268 Fe6 N6 O12 -","- C146.268 H308.28 Cl24.804 Fe18 N18 O36 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0889","0.0558","","0.1461","0.1275","","","","1.046","1.103","1.103","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311268","11.306","0.002","13.128","0.001","15.502","0.001","110.07","0.01","97.16","0.01","91.21","0.01","2139.3","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H128 Cl12 Fe6 N6 O12 -","- C62 H128 Cl12 Fe6 N6 O12 -","- C62 H128 Cl12 Fe6 N6 O12 -","1","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0535","0.0386","","","0.0943","0.1024","","","","","","1.067","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311269","12.056","0.001","13.106","0.001","15.006","0.002","76.53","0.01","78.46","0.01","84.73","0.01","2256.7","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H150 Cl6 Fe6 N6 O12 -","- C72 H150 Cl6 Fe6 N6 O12 -","- C72 H150 Cl6 Fe6 N6 O12 -","1","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1202","0.0618","","","0.1225","0.1481","","","","","","1.025","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311270","41.114","0.002","41.114","0.002","21.987","0.001","90","","90","","120","","32187","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C126 H138 Cl24 Fe6 N12 O12 -","- C126 H136 Cl24 Fe6 N12 O12 -","- C1134 H1224 Cl216 Fe54 N108 O108 -","9","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1099","0.0576","","","0.14","0.1849","","","","","","1.188","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4311271","17.3093","0.0001","20.8732","0.0002","16.2756","0.0001","90","","91.041","0.001","90","","5879.41","0.08","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H134 Cl8 Fe6 N12 O24 S6 -","- C94 H134 Cl8 Fe6 N12 O24 S6 -","- C188 H268 Cl16 Fe12 N24 O48 S12 -","2","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.053","0.0363","","","0.094","0.1039","","","","","","1.004","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311272","12.6321","0.0001","15.0623","0.0002","16.9855","0.0002","110.094","0.001","100.334","0.001","105.692","0.001","2786.29","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H138 Cl6 Fe6 N6 O24 -","- C108 H138 Cl6 Fe6 N6 O24 -","- C108 H138 Cl6 Fe6 N6 O24 -","1","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0529","0.035","","","0.0905","0.1023","","","","","","1.038","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311273","26.161","0.004","26.161","0.004","12.283","0.003","90","","90","","120","","7280","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C67 H139 Cl9 Fe6 N6 O30 -","- C67 H139 Cl9 Fe6 N6 O30 -","- C201 H417 Cl27 Fe18 N18 O90 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0555","0.0435","","","0.1181","0.1255","","","","","","1.046","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311274","25.0845","0.0006","25.0845","0.0006","16.0454","0.0007","90","","90","","120","","8743.6","0.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H150 Fe6 N12 O30 S6 -","- C102 H150 Fe6 N12 O30 S6 -","- C306 H450 Fe18 N36 O90 S18 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0537","0.0389","","","0.1031","0.1138","","","","","","0.97","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311275","29.035","0.0007","29.035","0.0007","11.8571","0.0005","90","","90","","120","","8656.7","0.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C85 H115 Cl15 Fe6 N12 O18 S6 -","- C85 H115 Cl15.048 Fe6 N12 O18 S6 -","- C255 H345 Cl45.144 Fe18 N36 O54 S18 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0987","0.0817","","","0.24","0.2556","","","","","","1.846","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311276","12.9941","0.0002","14.8203","0.0003","16.325","0.0003","74.132","0.001","77.858","0.001","80.404","0.001","2936.37","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H148 Cl6 Fe6 N6 O25 -","- C105.994 H148 Cl6 Fe6 N6 O25 -","- C105.994 H148 Cl6 Fe6 N6 O25 -","1","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1019","0.0512","","","0.1247","0.1456","","","","","","1.016","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311277","11.9911","0.0002","15.0678","0.0004","15.7072","0.0004","87.4551","0.0001","80.3979","0.0014","75.6373","0.0013","2710.74","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H150 Cl6 Fe6 N6 O30 -","- C96 H150 Cl6 Fe6 N6 O30 -","- C96 H150 Cl6 Fe6 N6 O30 -","1","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0537","0.0332","","","0.0765","0.0837","","","","","","0.996","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311278","15.3262","0.0005","15.7033","0.0004","16.1823","0.0005","79.255","0.002","76.067","0.001","76.438","0.002","3639.6","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H178 Cl10 Fe6 N6 O24 -","- C144 H178 Cl10 Fe6 N6 O24 -","- C144 H178 Cl10 Fe6 N6 O24 -","1","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0984","0.08","","","0.241","0.2549","","","","","","1.889","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311279","15.095","0.002","15.095","0.002","23.647","0.003","90","","90","","120","","4666.3","1.1","275","2","275","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38 H80 Cl12 Fe6 N6 O12 -","- C38 H80 Cl12 Fe6 N6 O12 -","- C114 H240 Cl36 Fe18 N18 O36 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1506","0.0716","","0.2315","0.1888","","","","1.156","1.308","1.308","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311280","13.074","0.003","11.66","0.002","22.592","0.005","90","","105.51","0.03","90","","3318.6","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H80 Cl12 Fe6 N6 O12 -","- C44 H80 Cl12 Fe6 N6 O12 -","- C88 H160 Cl24 Fe12 N12 O24 -","2","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0767","0.0434","","0.1193","0.0969","","","","1.038","1.004","1.004","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311281","12.42","0.003","16.726","0.003","18.384","0.004","89.95","0.03","82.56","0.03","89.73","0.03","3786.8","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H102 Cl12 Fe6 N6 O18 -","- C50 H100 Cl12 Fe6 N6 O18 -","- C100 H200 Cl24 Fe12 N12 O36 -","2","1","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1264","0.0482","","0.1803","0.1326","","","","0.929","1.153","1.153","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311282","17.101","0.003","16.264","0.003","15.114","0.003","90","","96.74","0.03","90","","4174.6","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H126 Cl6 Fe6 N6 O24 -","- C60 H122 Cl6 Fe6 N6 O24 -","- C120 H244 Cl12 Fe12 N12 O48 -","2","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0575","0.0406","","0.1589","0.1227","","","","1.19","1.001","1.001","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311283","26.731","0.004","26.731","0.004","12.236","0.002","90","","90","","120","","7572","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C73 H151 Cl9 Fe6 N6 O30 -","- C73.018 H151 Cl9 Fe6 N6 O30.018 -","- C219.054 H453 Cl27 Fe18 N18 O90.054 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0392","0.0348","","","0.0898","0.094","","","","","","1.079","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311284","21.1158","0.0004","16.4674","0.0004","22.4019","0.0005","90","","97.2888","0.0013","90","","7726.7","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H114 Cl6 Fe6 N6 O12 -","- C60.006 H114 Cl6 Fe6 N6 O12 -","- C240.024 H456 Cl24 Fe24 N24 O48 -","4","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0717","0.0385","","","0.0911","0.1014","","","","","","1.033","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311285","13.005","0.0002","13.8403","0.0002","16.4992","0.0002","65.769","0.001","69.838","0.001","80.802","0.001","2541.57","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H174 Cl6 Fe6 N6 O12 -","- C84 H174 Cl6 Fe6 N6 O12 -","- C84 H174 Cl6 Fe6 N6 O12 -","1","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0539","0.0361","","","0.0979","0.113","","","","","","1.032","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311286","14.254","0.003","15.202","0.003","15.362","0.003","115.01","0.03","92.71","0.03","111.09","0.03","2735.2","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H174 Fe6 N12 O12 S6 -","- C90 H174 Fe6 N12 O12 S6 -","- C90 H174 Fe6 N12 O12 S6 -","1","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0626","0.0439","","","0.1273","0.1423","","","","","","1.071","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311287","13.5427","0.0002","21.8038","0.0003","20.6024","0.0004","90","","97.316","0.001","90","","6034","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H122 Cl24 Fe6 N12 O24 S6 -","- C74 H122 Cl24 Fe6 N12 O24 S6 -","- C148 H244 Cl48 Fe12 N24 O48 S12 -","2","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0851","0.0593","","","0.1615","0.1804","","","","","","1.029","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311288","32.4052","0.0004","32.4052","0.0004","11.8909","0.0002","90","","90","","120","","10813.7","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C103 H113 Cl45 Fe6 N6 O12 -","- C103 H113 Cl45 Fe6 N6 O12 -","- C309 H339 Cl135 Fe18 N18 O36 -","3","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1374","0.0743","","","0.1942","0.2232","","","","","","1.261","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311289","16.833","0.003","16.866","0.003","16.068","0.003","90","","106.81","0.03","90","","4366.9","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H98 Cl18 Fe6 N6 O14 -","- C70 H98 Cl18 Fe6 N6 O14 -","- C140 H196 Cl36 Fe12 N12 O28 -","2","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.0906","0.0712","","","0.2207","0.2344","","","","","","1.707","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311290","13.2578","0.0004","19.22","0.0003","24.8933","0.0008","90","","96.635","0.0011","90","","6300.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H142 Cl12 Fe6 N12 O12 S6 -","- C100 H142 Cl12 Fe6 N12 O12 S6 -","- C200 H284 Cl24 Fe12 N24 O24 S12 -","2","0.5","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","","0.71073","MoKα","","0.1042","0.0781","","","0.2148","0.2334","","","","","","1.564","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311291","30.06","0.003","30.06","0.003","12.127","0.002","90","","90","","120","","9490","2","173","","173","","","","","","","","see text","6","R -3 :H","-R 3","148","","","","- C90 H102 Cl6 Fe6 N6 O18 -","- C90 H102 Cl6 Fe6 N6 O18 -","- C270 H306 Cl18 Fe18 N18 O54 -","3","0.166667","","Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann","Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,","Inorganic Chemistry","2004","43","","4372","4382","10.1021/ic049799w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311292","11.0498","0.0013","11.5449","0.0013","16.5738","0.0019","78.544","0.002","79.527","0.002","77.699","0.002","2003","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H38 Br Fe N3 -","- C53 H38 Br Fe N3 -","- C106 H76 Br2 Fe2 N6 -","2","1","","Chen-Hsiung Hung; Fei-Chien Chang; Cheng-Yu Lin; Krystyna Rachlewicz; Marcin Stępień; Lechosław Latos-Grażyński; Gene-Hsiang Lee; Shie-Ming Peng","Iron and Copper Complexes of Tetraphenyl-m-benziporphyrin: Reactivity of the Internal C-H Bond","Inorganic Chemistry","2004","43","","4118","4120","10.1021/ic049821l","","","0.71073","MoKα","","0.0878","0.0414","","","0.0788","0.1109","","","","","","0.957","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311293","14.5784","0.0005","25.0959","0.0008","12.6346","0.0005","90","","108.462","0.001","90","","4384.6","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33 Cl7 Cu2 N3 -","- C48 H33 Cl7 Cu2 N3 -","- C192 H132 Cl28 Cu8 N12 -","4","1","","Chen-Hsiung Hung; Fei-Chien Chang; Cheng-Yu Lin; Krystyna Rachlewicz; Marcin Stępień; Lechosław Latos-Grażyński; Gene-Hsiang Lee; Shie-Ming Peng","Iron and Copper Complexes of Tetraphenyl-m-benziporphyrin: Reactivity of the Internal C-H Bond","Inorganic Chemistry","2004","43","","4118","4120","10.1021/ic049821l","","","0.71073","MoKα","","0.0703","0.0588","","","0.1329","0.1396","","","","","","1.091","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311294","8.7062","0.0003","10.3326","0.0004","10.8419","0.0004","99.214","0.005","101.015","0.005","93.748","0.005","940.35","0.06","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 N4 O Ru -","- C18 H14 Cl2 N4 O Ru -","- C36 H28 Cl4 N8 O2 Ru2 -","2","1","","Raymond Ziessel; Vincent Grosshenny; Muriel Hissler; Christophe Stroh","cis-[Ru(2,2':6',2''-terpyridine)(DMSO)Cl2]: Useful Precursor for the Synthesis of Heteroleptic Terpyridine Complexes under Mild Conditions","Inorganic Chemistry","2004","43","","4262","4271","10.1021/ic049822d","","","0.71073","Mo-Kα","","0.035","0.029","","0.147","","0.046","","","1.299","","","1.117","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311295","10.9878","0.0004","29.844","0.001","8.6903","0.0005","90","","118.496","0.005","90","","2504.5","0.2","173","","173","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C37 H44 Cl10 N6 O4 Ru2 S2 -","- C37 H22 Cl10 N6 O4 Ru2 S2 -","- C74 H44 Cl20 N12 O8 Ru4 S4 -","2","0.25","","Raymond Ziessel; Vincent Grosshenny; Muriel Hissler; Christophe Stroh","cis-[Ru(2,2':6',2''-terpyridine)(DMSO)Cl2]: Useful Precursor for the Synthesis of Heteroleptic Terpyridine Complexes under Mild Conditions","Inorganic Chemistry","2004","43","","4262","4271","10.1021/ic049822d","","","0.71073","Mo-Kα","","0.087","0.055","","0.134","","0.072","","","1.953","","","1.01","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311296","16.6718","0.0008","21.2988","0.001","21.8743","0.0009","90","","90","","90","","7767.3","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H26 B Cu F20 N4 -","- C39 H26 B Cu F20 N4 -","- C312 H208 B8 Cu8 F160 N32 -","8","1","","Hong-Chang Liang; Mark J. Henson; Lanying Q. Hatcher; Michael A. Vance; Christiana Xin Zhang; David Lahti; Susan Kaderli; Roger D. Sommer; Arnold L. Rheingold; Andreas D. Zuberbühler; Edward I. Solomon; Kenneth D. Karlin","Solvent Effects on the Conversion of Dicopper(II) μ-η2:η2-Peroxo to Bis-μ-oxo Dicopper(III) Complexes: Direct Probing of the Solvent Interaction","Inorganic Chemistry","2004","43","","4115","4117","10.1021/ic0498283","","","0.71073","MoKα","","0.0645","0.0345","","","0.0798","0.0883","","","","","","1.018","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311297","11.7867","","11.7867","0.0006","33.967","0.002","90","","90","0.002","120","0.007","4086.7","0.4","108.1","","","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C18 H30 B2 F8 Fe N10 O3 -","- C18 H24 B2 F7.5 Fe N10 O3 -","- C108 H144 B12 F45 Fe6 N60 O18 -","6","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.057","","","","0.123","","","","","","0.945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311298","11.9901","0.0005","11.99","0.001","35.553","0.002","90","","90","0.002","120","0.005","4426.4","0.5","293.1","","","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C18 H30 B2 F8 Fe N10 O3 -","- C18 H24 B2 F7.5 Fe N10 O3 -","- C108 H144 B12 F45 Fe6 N60 O18 -","6","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.072","","","","0.164","","","","","","0.887","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311299","11.855","0.004","11.855","0.004","9.479","0.005","90","","90","","120","","1153.7","0.8","93.1","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C18 H22.5 B0.5 F2 Fe N10 -","- C18 H22.5 B0.5 F1.5 Fe N10 -","- C36 H45 B F3 Fe2 N20 -","2","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.051","","","","0.129","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311300","11.8898","0.0009","11.8898","0.0009","9.4759","0.0009","90","","90","","120","","1160.11","0.17","293.1","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C18 H22.5 B0.5 F2 Fe N10 -","- C18 H22.5 B0.25 F1.5 Fe N10 -","- C36 H45 B0.5 F3 Fe2 N20 -","2","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.061","","","","0.146","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311301","11.8047","0.0007","11.8047","0.0007","9.3705","0.0004","90","","90","","120","","1130.85","0.11","100","2","100","2","","","","","","","","6","P 3","P 3","143","","","","- C36 H45 B2 F8 Fe2 N20 -","- C36 H45 B1.99 F7.96 Fe2 N20 -","- C36 H45 B1.99 F7.96 Fe2 N20 -","1","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.71073","MoKα","","0.0311","0.0307","","","0.0702","0.0704","","","","","","1.104","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311302","11.9346","0.0009","11.9346","0.0009","9.4354","0.0006","90","","90","","120","","1163.88","0.14","220","2","220","2","","","","","","","","6","P 3","P 3","143","","","","- C36 H45 B2 F8 Fe2 N20 -","- C36 H45 B1.99 F7.96 Fe2 N20 -","- C36 H45 B1.99 F7.96 Fe2 N20 -","1","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.71073","MoKα","","0.0421","0.0412","","","0.108","0.1089","","","","","","1.06","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311303","11.9678","0.0011","11.9678","0.0011","28.5739","0.0014","90","","90","","120","","3544.3","0.5","300","2","300","2","","","","","","","","6","P 3","P 3","143","","","","- C36 H45 B2 F8 Fe2 N20 -","- C36 H45 B2 F8 Fe2 N20 -","- C108 H135 B6 F24 Fe6 N60 -","3","1","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.71073","MoKα","","0.0539","0.043","","","0.1056","0.1104","","","","","","1.12","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311304","37.619","0.004","12.1091","0.0009","13.995","0.001","90","","92.48","0.002","90","","6369.2","0.9","93.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 B3 F12 Fe N12 O2 -","- C22 H30 B3 F12 Fe N12 O2 -","- C176 H240 B24 F96 Fe8 N96 O16 -","8","1","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.062","","","","0.152","","","","","","1.662","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4311305","20.175","0.001","20.175","0.001","20.175","0.001","90","","90","","90","","8211.8","0.7","123.1","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C18 H26 Fe N10 O2.5 -","- C18 H21 Fe N10 O2.49 -","- C288 H336 Fe16 N160 O39.84 -","16","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.045","","","","0.098","","","","","","0.813","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311306","38.154","0.002","12.632","0.0004","14.11","0.0006","90","","95.892","0.001","90","","6764.5","0.5","296.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 B3 F12 Fe N12 O2 -","- C22 H30 B3 F12 Fe N12 O2 -","- C176 H240 B24 F96 Fe8 N96 O16 -","8","1","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.7107","MoKα","","","0.076","","","","0.191","","","","","","1.802","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4311307","10.939","0.005","10.939","0.005","19.558","0.008","90","","90","","120","","2026.8","1.6","293","2","293","2","","","","","","","chemical synthesis","5","P 3 c 1","P 3 -2""c","158","","[Fe(II)-2im],H2O","","- C18 H24 Fe N10 O -","- C18 H24 Fe N10 O -","- C72 H96 Fe4 N40 O4 -","4","0.666667","","François Lambert; Clotilde Policar; Stephanie Durot; Michèle Cesario; Lu Yuwei; Hafsa Korri-Youssoufi; Bineta Keita; Louis Nadjo","Imidazole and Imidazolate Iron Complexes: On the Way for Tuning 3D-Structural Characteristics and Reactivity. Redox Interconversions Controlled by Protonation State","Inorganic Chemistry","2004","43","","4178","4188","10.1021/ic0498687","","","0.71073","MoKα","","0.1006","0.0371","","0.137","0.0953","","","","0.851","0.842","0.842","","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311308","9.9327","0.0009","10.6687","0.001","11.3605","0.001","83.677","0.002","69.113","0.002","74.624","0.002","1084.33","0.17","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H38 Cl2 Cu2 F6 N6 O8 S2 -","- C41 H38 Cl2 Cu2 F6 N6 O8 S2 -","- C41 H38 Cl2 Cu2 F6 N6 O8 S2 -","1","0.5","","A. N. Vedernikov; M. Pink; K. G. Caulton","Influence of the [2.1.1]-(2,6)-Pyridinophane Macrocycle Ring Size Constraint on the Structure and Reactivity of Copper Complexes","Inorganic Chemistry","2004","43","","4300","4305","10.1021/ic049886o","","","0.71073","MoKα","","0.079","0.0536","","","0.1264","0.1377","","","","","","1.035","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311309","21.0593","0.0016","21.0593","","7.5642","0.0006","90","","90","","120","","2905.2","0.3","136","2","136","2","","","","","","","","5","P 61","P 61","169","","","","- C19.33 H17.67 Cl1.67 Cu N3 -","- C19.3334 H17.6668 Cl1.6668 Cu N3 -","- C116 H106.001 Cl10.0008 Cu6 N18 -","6","1","","A. N. Vedernikov; M. Pink; K. G. Caulton","Influence of the [2.1.1]-(2,6)-Pyridinophane Macrocycle Ring Size Constraint on the Structure and Reactivity of Copper Complexes","Inorganic Chemistry","2004","43","","4300","4305","10.1021/ic049886o","","","0.71073","MoKα","","0.0469","0.035","","","0.0811","0.086","","","","","","1.073","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311310","10.018","0.005","10.698","0.005","11.48","0.005","74.896","0.005","64.424","0.005","76.629","0.005","1061.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H60 Cl4 N4 Ni2 O8 -","- C32 H60 Cl4 N4 Ni2 O8 -","- C32 H60 Cl4 N4 Ni2 O8 -","1","0.5","","Fredy Speiser; Pierre Braunstein; Lucien Saussine","Dinuclear Nickel Complexes with Bidentate N,O Ligands: Synthesis, Structure, and Catalytic Oligomerization of Ethylene","Inorganic Chemistry","2004","43","","4234","4240","10.1021/ic049921r","","","0.71069","MoKα","","0.0867","0.046","","","0.0963","0.1113","","","","","","0.87","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311311","21.3716","0.001","16.5989","0.0008","22.881","0.0011","90","","90","","90","","8116.9","0.7","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H55 Cl3 Fe3 O2 Se4 Sn -","- C34 H46.5 Cl3 Fe3 O2 Se4 Sn -","- C272 H372 Cl24 Fe24 O16 Se32 Sn8 -","8","1","","Christian Zimmermann; Christopher E. Anson; Amanda L. Eckermann; Markus Wunder; Gerda Fischer; Ilka Keilhauer; Erik Herrling; Bernd Pilawa; Oliver Hampe; Florian Weigend; Stefanie Dehnen","Syntheses of the 47 Electron Clusters [(Cp*Fe)3(μ3-X)2] (X = S, Se) and the First Fe/Sn/Se Heterocubane Cluster [(Cp*Fe)3(SnCl3)(μ3-Se)4].DME by the Use of Chalcogenostannate Salts","Inorganic Chemistry","2004","43","","4595","4603","10.1021/ic034876t","","","0.71073","MoKα","","0.1757","0.0717","","","0.15","0.1699","","","","","","0.861","","","","has coordinates","194045","2020-10-21","18:00:00",""
"4311312","10.7498","0.0006","17.9645","0.0009","16.182","0.0008","90","","107.975","0.001","90","","2972.5","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 Fe3 S2 -","- C30 H45 Fe3 S2 -","- C120 H180 Fe12 S8 -","4","1","","Christian Zimmermann; Christopher E. Anson; Amanda L. Eckermann; Markus Wunder; Gerda Fischer; Ilka Keilhauer; Erik Herrling; Bernd Pilawa; Oliver Hampe; Florian Weigend; Stefanie Dehnen","Syntheses of the 47 Electron Clusters [(Cp*Fe)3(μ3-X)2] (X = S, Se) and the First Fe/Sn/Se Heterocubane Cluster [(Cp*Fe)3(SnCl3)(μ3-Se)4].DME by the Use of Chalcogenostannate Salts","Inorganic Chemistry","2004","43","","4595","4603","10.1021/ic034876t","","","0.71073","MoKα","","0.047","0.0366","","","0.0856","0.0891","","","","","","0.975","","","","has coordinates","194045","2020-10-21","18:00:00",""
"4311313","10.8202","0.0005","18.0569","0.0009","16.19","0.0008","90","","107.524","0.001","90","","3016.4","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 Fe3 Se2 -","- C30 H45 Fe3 Se2 -","- C120 H180 Fe12 Se8 -","4","1","","Christian Zimmermann; Christopher E. Anson; Amanda L. Eckermann; Markus Wunder; Gerda Fischer; Ilka Keilhauer; Erik Herrling; Bernd Pilawa; Oliver Hampe; Florian Weigend; Stefanie Dehnen","Syntheses of the 47 Electron Clusters [(Cp*Fe)3(μ3-X)2] (X = S, Se) and the First Fe/Sn/Se Heterocubane Cluster [(Cp*Fe)3(SnCl3)(μ3-Se)4].DME by the Use of Chalcogenostannate Salts","Inorganic Chemistry","2004","43","","4595","4603","10.1021/ic034876t","","","0.71073","MoKα","","0.0411","0.0309","","","0.0754","0.0782","","","","","","1.013","","","","has coordinates","194045","2020-10-21","18:00:00",""
"4311314","25.6","0.012","10.016","0.004","9.635","0.003","90","","90","","90","","2470.5","1.7","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C2 H12 Mo2 N2 O11 P2 -","- C2 H4 Mo2 N2 O11 P2 -","- C16 H32 Mo16 N16 O88 P16 -","8","","","K. Prabhakara Rao; Vidyavathy Balraj; M. P. Minimol; K. Vidyasagar","Hydrothermal Synthesis and Characterization of New Pillared Layered Ethylenediphosphonates of Molybdenum(VI), A2[Mo2O5(O3PCH2CH2PO3)] (A = NH4, Tl, Cs, Rb) and K(H3O)[Mo2O5(O3PCH2CH2PO3)]","Inorganic Chemistry","2004","43","","4610","4614","10.1021/ic035081p","","","0.71073","MoKα","","0.045","0.0342","","","0.0822","0.09","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311315","25.625","0.011","10.007","0.002","9.5119","0.0011","90","","90","","90","","2439.1","1.2","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C2 H7 K Mo2 O12 P2 -","- C2 H4 K Mo2 O12 P2 -","- C16 H32 K8 Mo16 O96 P16 -","8","","","K. Prabhakara Rao; Vidyavathy Balraj; M. P. Minimol; K. Vidyasagar","Hydrothermal Synthesis and Characterization of New Pillared Layered Ethylenediphosphonates of Molybdenum(VI), A2[Mo2O5(O3PCH2CH2PO3)] (A = NH4, Tl, Cs, Rb) and K(H3O)[Mo2O5(O3PCH2CH2PO3)]","Inorganic Chemistry","2004","43","","4610","4614","10.1021/ic035081p","","","0.71073","MoKα","","0.045","0.0347","","","0.0811","0.0859","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311316","11.14","0.005","23.002","0.005","24.423","0.005","90","0.005","90","0.005","90","0.005","6258","3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- Al Co H31 Mo6 O36 -","- Al Co Mo6 O36 -","- Al8 Co8 Mo48 O288 -","8","1","","Catherine Martin; Carole Lamonier; Michel Fournier; Olivier Mentré; Virginie Harlé; Denis Guillaume; Edmond Payen","Preparation and Characterization of 6-Molybdocobaltate and 6-Molybdoaluminate Cobalt Salts. Evidence of a New Heteropolymolybdate Structure","Inorganic Chemistry","2004","43","","4636","4644","10.1021/ic0354365","","","0.71073","MoKα","","0.0444","0.0444","","","0.0967","0.0967","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311317","11.139","0.002","22.96","0.004","24.486","0.005","90","","90","","90","","6262","2","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- Co2 H31 Mo6 O36 -","- Co2 Mo6 O36 -","- Co16 Mo48 O288 -","8","1","","Catherine Martin; Carole Lamonier; Michel Fournier; Olivier Mentré; Virginie Harlé; Denis Guillaume; Edmond Payen","Preparation and Characterization of 6-Molybdocobaltate and 6-Molybdoaluminate Cobalt Salts. Evidence of a New Heteropolymolybdate Structure","Inorganic Chemistry","2004","43","","4636","4644","10.1021/ic0354365","","x-ray","0.71073","MoKα","","0.0388","0.0388","","","0.0924","0.0924","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311318","10.5681","0.0014","10.5681","0.0014","17.205","0.006","90","","90","","120","","1664.1","0.7","293","2","293","2","","","","","","","","2","P 3 1 m","P 3 -2","157","","","","- Al40 Ba21 -","- Al40 Ba21 -","- Al40 Ba21 -","1","0.166667","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0322","0.0238","","","0.058","0.0616","","","","","","0.957","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311319","6.0997","0.0003","6.0997","0.0003","17.2694","0.0012","90","","90","","120","","556.45","0.05","293","2","293","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Al13 Ba7 -","- Al13 Ba7 -","- Al13 Ba7 -","1","0.0833333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0343","0.0283","","","0.0669","0.0746","","","","","","0.589","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311320","6.2889","0.0016","6.2889","0.0016","20.605","0.008","90","","90","","120","","705.8","0.4","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al2 Ba4 Mg6 -","- Al2 Ba4 Mg6 -","- Al4 Ba8 Mg12 -","2","0.0833333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0619","0.0467","","","0.1344","0.1492","","","","","","1.184","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311321","6.6699","0.0009","6.6699","0.0009","10.602","0.002","90","","90","","120","","408.47","0.11","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ba Mg2 -","- Ba Mg2 -","- Ba4 Mg8 -","4","0.166667","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0343","0.0267","","","0.0575","0.0603","","","","","","1.083","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311322","6.0977","0.0014","6.0977","0.0014","19.815","0.006","90","","90","","120","","638.1","0.3","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al1.45 Mg0.55 Sr -","- Al4 Sr2 -","- Al32 Sr16 -","8","0.333333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0326","0.0169","","","0.0284","0.03","","","","","","0.87","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311323","6.194","0.0003","6.194","0.0003","20.1576","0.0015","90","","90","","120","","669.75","0.07","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al0.96 Mg1.04 Sr -","- Al1.25 Mg0.75 Sr -","- Al10 Mg6 Sr8 -","8","0.333333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0708","0.0353","","","0.059","0.0653","","","","","","1.102","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311324","6.3699","0.0008","6.3699","0.0008","10.14","0.002","90","","90","","120","","356.31","0.09","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al3 Mg Sr2 -","- Al3 Mg Sr2 -","- Al6 Mg2 Sr4 -","2","0.0833333","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0337","0.0307","","","0.1302","0.1328","","","","","","1.446","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311325","6.4838","0.0003","6.4838","0.0003","10.4514","0.0008","90","","90","","120","","380.51","0.04","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mg2 Sr -","- Mg2 Sr -","- Mg8 Sr4 -","4","0.166667","","Shahrad Amerioun; Tadahiro Yokosawa; Sven Lidin; Ulrich Häussermann","Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme","Inorganic Chemistry","2004","43","","4751","4760","10.1021/ic0400235","","","0.71073","MoKα","","0.0197","0.0122","","","0.0273","0.0282","","","","","","1.158","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311326","10.308","0.004","13.334","0.005","10.842","0.004","90","","91.963","0.006","90","","1489.3","1","273","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2 SO2 adduct of (bme-dach)Ni","","","- C9 H18 N2 Ni O4 S4 -","- C9 H18 N2 Ni O4 S4 -","- C36 H72 N8 Ni4 O16 S16 -","4","1","","Melissa L. Golden; Jason C. Yarbrough; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Sensing of Sulfur Dioxide by Base Metal Thiolates: Structures and Properties of Molecular NiN2S2/SO2 Adducts","Inorganic Chemistry","2004","43","","4702","4707","10.1021/ic049387n","","","0.71073","MoKα","","0.0228","0.0207","","","0.0511","0.052","","","","","","1.051","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311327","16.102","0.005","31.41","0.01","16.268","0.003","90","","106.38","0.01","90","","7894","4","161.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H80 Cl6 N6 O2 Pd3 -","- C66 H78 Cl6 N6 O2 Pd3 -","- C264 H312 Cl24 N24 O8 Pd12 -","4","0.5","","Hiromi Ohi; Yoshimitsu Tachi; Shinobu Itoh","Supramolecular and Coordination Polymer Complexes Supported by a Tripodal Tripyridine Ligand Containing a 1,3,5-Triethylbenzene Spacer","Inorganic Chemistry","2004","43","","4561","4563","10.1021/ic049468j","","","0.7107","MoKα","","","0.06","","","","0.07","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311328","8.93","0.02","12.95","0.02","14.98","0.03","92","0.08","106.5","0.1","93.84","0.08","1655","6","161.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H45 Cl2 Cu N3 O -","- C35 H45 Cl2 Cu N3 O -","- C70 H90 Cl4 Cu2 N6 O2 -","2","1","","Hiromi Ohi; Yoshimitsu Tachi; Shinobu Itoh","Supramolecular and Coordination Polymer Complexes Supported by a Tripodal Tripyridine Ligand Containing a 1,3,5-Triethylbenzene Spacer","Inorganic Chemistry","2004","43","","4561","4563","10.1021/ic049468j","","","0.7107","MoKα","","","0.033","","","","0.035","","","","","","1.012","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4311329","24.122","0.007","12.834","0.005","26.153","0.008","90","","105.43","0.01","90","","7805","4","161.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H82 Cl10 Co3 N6 -","- C68 H82 Cl10 Co3 N6 -","- C272 H328 Cl40 Co12 N24 -","4","0.5","","Hiromi Ohi; Yoshimitsu Tachi; Shinobu Itoh","Supramolecular and Coordination Polymer Complexes Supported by a Tripodal Tripyridine Ligand Containing a 1,3,5-Triethylbenzene Spacer","Inorganic Chemistry","2004","43","","4561","4563","10.1021/ic049468j","","","0.7107","MoKα","","","0.079","","","","0.092","","","","","","1.043","","","","has coordinates","198858","2020-10-21","18:00:00",""
"4311330","19.541","0.008","9.38","0.004","22.99","0.009","90","","112.74","0.02","90","","3886","3","161.1","","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C66 H80 Cl6 N6 O2 Zn3 -","- C66 H78 Cl6 N6 O2 Zn3 -","- C132 H156 Cl12 N12 O4 Zn6 -","2","0.5","","Hiromi Ohi; Yoshimitsu Tachi; Shinobu Itoh","Supramolecular and Coordination Polymer Complexes Supported by a Tripodal Tripyridine Ligand Containing a 1,3,5-Triethylbenzene Spacer","Inorganic Chemistry","2004","43","","4561","4563","10.1021/ic049468j","","","0.7107","MoKα","","","0.068","","","","0.094","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311331","8.4216","0.0004","9.9262","0.0005","12.8494","0.0006","90","","91.824","0.001","90","","1073.59","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N O6 P Zn2 -","- C6 H14 N O6 P Zn2 -","- C24 H56 N4 O24 P4 Zn8 -","4","1","","Jillian A. Johnstone; William T. A. Harrison","Triethanolamine Zinc Phosphite, (C6H13NO3)Zn2(HPO3): A Templated Network or a Network of Clusters?","Inorganic Chemistry","2004","43","","4567","4569","10.1021/ic0495012","","","0.71073","MoKα","","0.036","0.0237","","","0.0452","0.0475","","","","","","0.951","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311332","31.35","0.001","31.35","0.001","14.285","0.001","90","","90","","120","","12158.7","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","catena-[bis(mu!3$-adeninato-N3,N7,N9)(oxalato-O,O')diaqua dicopper(II)-water (1/7)]","","- C24 H52 Cu4 N20 O26 -","- C24 H24 Cu4 N20 O22 -","- C216 H216 Cu36 N180 O198 -","9","0.5","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Luis Lezama","An Unusual 3D Coordination Polymer Based on Bridging Interactions of the Nucleobase Adenine","Inorganic Chemistry","2004","43","","4549","4551","10.1021/ic049512v","","x-ray","0.71073","MoKα","","0.1471","0.0658","","","0.1075","0.1663","","","","","","1.002","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311333","34.105","0.005","18.131","0.002","14.586","0.002","90","","103.084","0.006","90","","8785","2","161.1","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C38 H45 Cu2 F12 N7 O P2 -","- C38 H44.5 Cu2 F12 N7 O P2 -","- C304 H356 Cu16 F96 N56 O8 P16 -","8","1","","Yoshimitsu Tachi; Kazuki Aita; Shinichi Teramae; Fumito Tani; Yoshinori Naruta; Shunichi Fukuzumi; Shinobu Itoh","Dicopper-Dioxygen Complex Supported by Asymmetric Pentapyridine Dinucleating Ligand","Inorganic Chemistry","2004","43","","4558","4560","10.1021/ic049524g","","","0.7107","MoKα","","","0.029","","","","0.031","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311334","11.3927","0.0006","29.4124","0.0016","15.7412","0.0009","90","","105.533","0.001","90","","5082","0.5","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N4 O0.5 -","- C32 H27 N4 O0.5 -","- C256 H216 N32 O4 -","8","2","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.0699","0.0586","","","0.16","0.1705","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311335","9.7027","0.0009","12.8883","0.0012","16.8118","0.0016","74.2","0.002","89.116","0.002","84.894","0.002","2014.8","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","2","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.0652","0.0496","","","0.1158","0.1229","","","","","","1.002","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311336","10.3433","0.0005","14.3521","0.0007","15.5484","0.0008","65.425","0.001","87.326","0.001","72.988","0.001","1999.72","0.17","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H41 Ag Cl N2 O6 -","- C46 H41 Ag Cl N2 O6 -","- C92 H82 Ag2 Cl2 N4 O12 -","2","1","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.0503","0.0391","","","0.0831","0.0862","","","","","","1.011","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311337","7.8699","0.0005","12.6649","0.0008","12.8184","0.0008","92.571","0.001","98.291","0.001","106.978","0.001","1204.06","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Co N4 O6 -","- C54 H50 Co N4 O6 -","- C54 H50 Co N4 O6 -","1","0.5","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.0589","0.0492","","","0.12","0.1264","","","","","","1.038","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311338","42.289","0.003","18.2148","0.0013","11.1327","0.0008","90","","103.677","0.002","90","","8332.2","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 Ag2 Cl2 N4 O9.5 -","- C43 H36 Ag2 Cl2 N4 O9.5 -","- C344 H288 Ag16 Cl16 N32 O76 -","8","1","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.1118","0.0979","","","0.2516","0.2612","","","","","","1.142","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311339","26.2633","0.0007","26.2633","0.0007","9.3983","0.0005","90","","90","","90","","6482.6","0.4","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C31 H24 Ag F6 N4 Sb -","- C31 H24 Ag F6 N4 Sb -","- C248 H192 Ag8 F48 N32 Sb8 -","8","1","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.054","0.0479","","","0.1262","0.1299","","","","","","1.079","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311340","19.353","0.0009","15.0315","0.0007","17.89","0.0008","90","","112.951","0.001","90","","4792.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Ag Cl2 F12 N4 Sb2 -","- C44 H38 Ag Cl2 F12 N4 Sb2 -","- C176 H152 Ag4 Cl8 F48 N16 Sb8 -","4","1","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.0624","0.0536","","","0.1255","0.1302","","","","","","1.081","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311341","8.9189","0.0004","13.5085","0.0006","19.1073","0.0009","86.354","0.001","85.018","0.001","84.039","0.001","2277.51","0.18","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Ag F6 N4 O4 Sb -","- C50 H40 Ag F6 N4 O4 Sb -","- C100 H80 Ag2 F12 N8 O8 Sb2 -","2","1","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.0722","0.0474","","","0.087","0.0946","","","","","","1.029","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311342","34.7405","0.0019","9.1035","0.0005","31.9219","0.0018","90","","111.264","0.001","90","","9408.3","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Ag F6 N4 O4 Sb -","- C50 H40 Ag F6 N4 O4 Sb -","- C400 H320 Ag8 F48 N32 O32 Sb8 -","8","1","","Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith","Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands","Inorganic Chemistry","2004","43","","4727","4739","10.1021/ic0495517","","","0.71073","MoKα","","0.0527","0.0435","","","0.1176","0.1256","","","","","","1.026","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311343","32.951","0.002","14.4561","0.001","32.267","0.002","90","","90","","90","","15370.2","1.7","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C71 H71 Cl2 Cu2 F12 O0.5 P6 S4 -","- C68 H49 Cu2 F6 P5 S4 -","- C544 H392 Cu16 F48 P40 S32 -","8","1","","Martin S. Masar; Chad A. Mirkin; Charlotte L. Stern; Lev N. Zakharov; Arnold L. Rheingold","Binuclear Copper(I) Macrocycles Synthesized via the Weak-Link Approach","Inorganic Chemistry","2004","43","","4693","4701","10.1021/ic049658u","","","0.71073","MoKα","","0.1045","0.0692","","","0.1765","0.1909","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311344","12.1702","0.0007","27.8425","0.0016","11.7041","0.0007","90","","106.966","0.001","90","","3793.3","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Cl4 Cu2 F20 P6 S4 -","- C70 H60 Cl4 Cu2 F20 P6 S4 -","- C140 H120 Cl8 Cu4 F40 P12 S8 -","2","0.5","","Martin S. Masar; Chad A. Mirkin; Charlotte L. Stern; Lev N. Zakharov; Arnold L. Rheingold","Binuclear Copper(I) Macrocycles Synthesized via the Weak-Link Approach","Inorganic Chemistry","2004","43","","4693","4701","10.1021/ic049658u","","","0.71073","MoKα","","0.0436","0.0345","","","0.0876","0.0945","","","","","","1.049","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311345","13.1577","0.0009","13.1576","0.001","13.3052","0.001","64.871","0.001","83.773","0.001","79.858","0.001","2051.4","0.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H82 Cu2 F12 N6 O4 P6 -","- C80 H82 Cu2 F12 N6 O4 P6 -","- C80 H82 Cu2 F12 N6 O4 P6 -","1","0.5","","Martin S. Masar; Chad A. Mirkin; Charlotte L. Stern; Lev N. Zakharov; Arnold L. Rheingold","Binuclear Copper(I) Macrocycles Synthesized via the Weak-Link Approach","Inorganic Chemistry","2004","43","","4693","4701","10.1021/ic049658u","","","0.71073","MoKα","","0.068","0.0505","","","0.1312","0.145","","","","","","1.047","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311346","13.3808","0.0011","32.182","0.003","15.9971","0.0013","90","","111.072","0.002","90","","6428","1","173","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H51 Mo N5 P2 S6 -","- C69.5 H50 Mo N5 P2 S6 -","- C278 H200 Mo4 N20 P8 S24 -","4","1","","Kowliki Nagarajan; Hemant K. Joshi; Pradeep K. Chaudhury; Kuntal Pal; J. Jon A. Cooney; John H. Enemark; Sabyasachi Sarkar","Structural and Functional Analogue of the Active Site of Polysulfide Reductase from Wolinella Succinogenes","Inorganic Chemistry","2004","43","","4532","4533","10.1021/ic049665i","","","0.71073","MoKα","","0.1388","0.0454","","","0.0687","0.0859","","","","","","0.685","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4311347","22.3994","0.0004","15.3804","0.0003","13.2115","0.0002","90","","90","","90","","4551.52","0.14","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C37 H45 Cl8 Cu4 N9 O2 -","- C37 H43 Cl8 Cu4 N9 O2 -","- C148 H172 Cl32 Cu16 N36 O8 -","4","0.5","","Nicole Niklas; Frank W. Heinemann; Frank Hampel; Tim Clark; Ralf Alsfasser","The Activation of Tertiary Carboxamides in Metal Complexes: An Experimental and Theoretical Study on the Methanolysis of Acylated Bispicolylamine Copper(II) Complexes","Inorganic Chemistry","2004","43","","4663","4673","10.1021/ic0496774","","","0.71073","MoKα","","0.0772","0.0616","","","0.1194","0.1269","","","","","","1.162","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4311348","12.296","0.001","15.165","0.003","18.47","0.003","90","","104.83","0.01","90","","3329.4","0.9","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl2 Cu F6 N4 O10 S2 -","- C22 H28 Cl2 Cu F6 N4 O10 S2 -","- C88 H112 Cl8 Cu4 F24 N16 O40 S8 -","4","1","","Nicole Niklas; Frank W. Heinemann; Frank Hampel; Tim Clark; Ralf Alsfasser","The Activation of Tertiary Carboxamides in Metal Complexes: An Experimental and Theoretical Study on the Methanolysis of Acylated Bispicolylamine Copper(II) Complexes","Inorganic Chemistry","2004","43","","4663","4673","10.1021/ic0496774","","","0.71073","MoKα","","0.0844","0.0519","","","0.1214","0.1381","","","","","","1.022","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4311349","15.6476","0.0003","6.5115","0.0002","30.6818","0.0006","90","","90","","90","","3126.15","0.13","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Cl2 Cu N3 O2 -","- C12 H17 Cl2 Cu N3 O2 -","- C96 H136 Cl16 Cu8 N24 O16 -","8","1","","Nicole Niklas; Frank W. Heinemann; Frank Hampel; Tim Clark; Ralf Alsfasser","The Activation of Tertiary Carboxamides in Metal Complexes: An Experimental and Theoretical Study on the Methanolysis of Acylated Bispicolylamine Copper(II) Complexes","Inorganic Chemistry","2004","43","","4663","4673","10.1021/ic0496774","","","0.71073","MoKα","","0.1319","0.0489","","","0.0827","0.0996","","","","","","0.942","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311350","16.9604","0.0003","13.2836","0.0002","26.5637","0.0005","90","","101.603","0.001","90","","5862.37","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 Cl4 Cu N4 O3.5 -","- C21 H29 Cl4 Cu N4 O3.5 -","- C168 H232 Cl32 Cu8 N32 O28 -","8","4","","Nicole Niklas; Frank W. Heinemann; Frank Hampel; Tim Clark; Ralf Alsfasser","The Activation of Tertiary Carboxamides in Metal Complexes: An Experimental and Theoretical Study on the Methanolysis of Acylated Bispicolylamine Copper(II) Complexes","Inorganic Chemistry","2004","43","","4663","4673","10.1021/ic0496774","","","0.71073","MoKα","","0.103","0.0708","","","0.1862","0.2029","","","","","","1.35","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311351","6.532","0.0001","13.2558","0.0002","15.4821","0.0002","90","","98.985","0.002","90","","1324.1","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cl2 Cu N3 -","- C12 H13 Cl2 Cu N3 -","- C48 H52 Cl8 Cu4 N12 -","4","1","","Nicole Niklas; Frank W. Heinemann; Frank Hampel; Tim Clark; Ralf Alsfasser","The Activation of Tertiary Carboxamides in Metal Complexes: An Experimental and Theoretical Study on the Methanolysis of Acylated Bispicolylamine Copper(II) Complexes","Inorganic Chemistry","2004","43","","4663","4673","10.1021/ic0496774","","","0.71073","MoKα","","0.0627","0.0325","","","0.0655","0.0717","","","","","","1.03","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311352","19.5308","0.0013","9.9136","0.0007","33.023","0.002","90","","98.34","0.001","90","","6326.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl2 N4 O8 Rh2 -","- C26 H30 Cl2 N4 O8 Rh2 -","- C208 H240 Cl16 N32 O64 Rh16 -","8","2","","Cristina Tejel; Miguel A. Ciriano; Gustavo Ríos-Moreno; Isabel T. Dobrinovitch; Fernando J. Lahoz; Luis A. Oro; Miguel Parra-Hake","Crescent-Shaped Rhodium(I) Complexes with Bis(o-carboxymethylphenyl)triazenide","Inorganic Chemistry","2004","43","","4719","4726","10.1021/ic049691g","","","0.71073","MoKα","","0.0869","0.0492","","","0.0975","0.1102","","","","","","1.033","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311353","9.576","0.0006","9.7734","0.0006","14.6622","0.0009","94.942","0.001","92.982","0.001","108.777","0.001","1289.74","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 Cl2 N3 O9 Rh3 -","- C21 H14 Cl2 N3 O9 Rh3 -","- C42 H28 Cl4 N6 O18 Rh6 -","2","1","","Cristina Tejel; Miguel A. Ciriano; Gustavo Ríos-Moreno; Isabel T. Dobrinovitch; Fernando J. Lahoz; Luis A. Oro; Miguel Parra-Hake","Crescent-Shaped Rhodium(I) Complexes with Bis(o-carboxymethylphenyl)triazenide","Inorganic Chemistry","2004","43","","4719","4726","10.1021/ic049691g","","","0.71073","MoKα","","0.0383","0.0303","","","0.0548","0.0561","","","","","","0.973","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311354","9.0715","0.0007","11.2733","0.0009","20.0489","0.0016","84.282","0.001","83.12","0.001","68.838","0.001","1894.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl N6 O12 Rh3 -","- C36 H28 Cl N6 O12 Rh3 -","- C72 H56 Cl2 N12 O24 Rh6 -","2","1","","Cristina Tejel; Miguel A. Ciriano; Gustavo Ríos-Moreno; Isabel T. Dobrinovitch; Fernando J. Lahoz; Luis A. Oro; Miguel Parra-Hake","Crescent-Shaped Rhodium(I) Complexes with Bis(o-carboxymethylphenyl)triazenide","Inorganic Chemistry","2004","43","","4719","4726","10.1021/ic049691g","","","0.71073","MoKα","","0.0674","0.0463","","","0.0943","0.1019","","","","","","1.024","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311355","15.6327","0.0008","31.577","0.0016","19.6687","0.001","90","","111.392","0.001","90","","9040.2","0.8","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C194 H200 N32 Na2 O18 Sm2 -","- C194 H200 N32 Na2 O18 Sm2 -","- C388 H400 N64 Na4 O36 Sm4 -","2","0.5","","Hongchuan Zhang; Rongmin Wang; Peihua Zhu; Zefeng Lai; Juan Han; Chi-Fung Choi; Dennis K. P. Ng; Xuegui Cui; Changqin Ma; Jianzhuang Jiang","The First Slipped Pseudo-Quadruple-Decker Complex of Phthalocyanines","Inorganic Chemistry","2004","43","","4740","4742","10.1021/ic049705i","","","0.71073","MoKα","","0.1157","0.0761","","","0.1954","0.2266","","","","","","1.042","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311356","9.797","0.004","15.301","0.006","14.902","0.006","90","","98.904","0.006","90","","2206.9","1.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cobalt(II) imidazolate","","","- C16 H21 Co2 N9 O -","- C16 H21 Co2 N9 O -","- C64 H84 Co8 N36 O4 -","4","1","","Yun-Qi Tian; Zhen-Xia Chen; Lin-Hong Weng; Hui-Bin Guo; Song Gao; Dong Yuan Zhao","Two Polymorphs of Cobalt(II) Imidazolate Polymers Synthesized Solvothermally by Using One Organic Template N,N-Dimethylacetamide","Inorganic Chemistry","2004","43","","4631","4635","10.1021/ic049713z","","","0.71073","MoKα","","0.122","0.0672","","","0.0857","0.0957","","","","","","1.001","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311357","15.173","0.004","15.173","0.004","19.089","0.005","90","","90","","90","","4395","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cobalt(II) imidazolate","","","- C16 H21 Co2 N9 O -","- C16 H21 Co2 N9 O -","- C128 H168 Co16 N72 O8 -","8","1","","Yun-Qi Tian; Zhen-Xia Chen; Lin-Hong Weng; Hui-Bin Guo; Song Gao; Dong Yuan Zhao","Two Polymorphs of Cobalt(II) Imidazolate Polymers Synthesized Solvothermally by Using One Organic Template N,N-Dimethylacetamide","Inorganic Chemistry","2004","43","","4631","4635","10.1021/ic049713z","","","0.71073","MoKα","","0.1189","0.0562","","","0.1435","0.1575","","","","","","1.015","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311358","15.9712","0.0018","15.9253","0.0019","18.475","0.002","90","","90","","90","","4699","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cobalt(II) imidazolate","","","- C18 H23 Co2 N8 O -","- C18 H23 Co2 N8 O -","- C144 H184 Co16 N64 O8 -","8","1","","Yun-Qi Tian; Zhen-Xia Chen; Lin-Hong Weng; Hui-Bin Guo; Song Gao; Dong Yuan Zhao","Two Polymorphs of Cobalt(II) Imidazolate Polymers Synthesized Solvothermally by Using One Organic Template N,N-Dimethylacetamide","Inorganic Chemistry","2004","43","","4631","4635","10.1021/ic049713z","","","0.71073","MoKα","","0.0981","0.0477","","","0.0612","0.0697","","","","","","1.02","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311359","9.7241","0.0005","21.0393","0.0006","17.8354","0.0009","90","","97.354","0.001","90","","3618.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Cd Cl2 N5 O12 -","- C33 H44 Cd Cl2 N5 O12 -","- C132 H176 Cd4 Cl8 N20 O48 -","4","1","","Bamaprasad Bag; Parimal K. Bharadwaj","Attachment of an Electron-Withdrawing Fluorophore to a Cryptand for Modulation of Fluorescence Signaling","Inorganic Chemistry","2004","43","","4626","4630","10.1021/ic049725k","","","0.71073","MoKα","","0.0474","0.041","","","0.0953","0.0986","","","","","","1.002","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311360","45.559","0.009","9.872","0.002","8.1709","0.0016","90","","93.03","0.03","90","","3669.8","1.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 Fe2 Mn O8 -","- C34 H26 Fe2 Mn O9 -","- C136 H104 Fe8 Mn4 O36 -","4","0.5","","Hongwei Hou; Linke Li; Yu Zhu; Yaoting Fan; Yuqin Qiao","Novel One-Dimensional Polymers Generated from p-Ferrocenylbenzoate: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4767","4774","10.1021/ic049728x","","","0.71073","MoKα","","0.075","0.0617","","","0.1721","0.1778","","","","","","1.098","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311361","20.889","0.004","21.666","0.004","8.2232","0.0016","90","","95.16","0.03","90","","3706.6","1.2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 Fe2 Mn N2 O4 -","- C46 H34 Fe2 Mn N2 O4 -","- C184 H136 Fe8 Mn4 N8 O16 -","4","1","","Hongwei Hou; Linke Li; Yu Zhu; Yaoting Fan; Yuqin Qiao","Novel One-Dimensional Polymers Generated from p-Ferrocenylbenzoate: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4767","4774","10.1021/ic049728x","","","0.71073","MoKα","","0.0666","0.0349","","","0.0645","0.0689","","","","","","0.946","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311362","9.0012","0.0018","12.354","0.003","19.981","0.004","93.79","0.03","96.53","0.03","106.03","0.03","2110.6","0.9","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cd Fe2 N2 O5 -","- C48 H44 Cd Fe2 N2 O5 -","- C96 H88 Cd2 Fe4 N4 O10 -","2","1","","Hongwei Hou; Linke Li; Yu Zhu; Yaoting Fan; Yuqin Qiao","Novel One-Dimensional Polymers Generated from p-Ferrocenylbenzoate: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4767","4774","10.1021/ic049728x","","","0.71073","MoKα","","0.0776","0.0489","","","0.1196","0.1289","","","","","","0.982","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311363","4.189","0.002","4.189","0.002","8.032","0.003","90","","90","","90","","140.94","0.11","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Al7 Ce Ni -","- Al5.562 La Ni1.436 -","- Al5.562 La Ni1.436 -","1","0.0625","","Delphine Gout; Evan Benbow; Olivier Gourdon; Gordon J. Miller","Composition-Structure Relationships in Polar Intermetallics: Experimental and Theoretical Studies of LaNi1+xAl6-x (x= 0.44)","Inorganic Chemistry","2004","43","","4604","4609","10.1021/ic0497331","","x-ray","0.71069","MoKα","","0.0197","0.0197","","","0.0511","0.0511","","","","2.75","2.75","2.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311364","10.944","0.005","26.094","0.012","12.596","0.006","90","","111.541","0.007","90","","3346","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Au2 Co N10 O6 -","- C28 H36 Au2 Co N10 O6 -","- C112 H144 Au8 Co4 N40 O24 -","4","0.5","","Hui-Bo Zhou; Shu-Ping Wang; Wen Dong; Zhan-Quan Liu; Qing-Lun Wang; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Peng Cheng","[CoAu2(CN)4(NITpPy)2(H2O)2]n: A New 2-D Interdigitating Complex Containing Dicyanoaurate(I) Anion, a Radical, and Cobalt(II) Ion Incorporating Gold...Gold and Hydrogen Bonding Interactions","Inorganic Chemistry","2004","43","","4552","4554","10.1021/ic049751i","","","0.71073","MoKα","","0.0939","0.0624","","","0.1384","0.1568","","","","","","1.002","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311365","9.3513","0.0013","9.2518","0.0013","20.722","0.003","90","","90.029","0.003","90","","1792.8","0.4","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Co N3 O -","- C20 H20 Co N3 O -","- C80 H80 Co4 N12 O4 -","4","1","","Scott A. Hilderbrand; Stephen J. Lippard","Cobalt Chemistry with Mixed Aminotroponiminate Salicylaldiminate Ligands: Synthesis, Characterization, and Nitric Oxide Reactivity","Inorganic Chemistry","2004","43","","4674","4682","10.1021/ic049776h","","","0.71073","MoKα","","0.0537","0.0435","","","0.1076","0.1124","","","","","","1.08","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311366","13.723","0.002","14.452","0.002","9.8027","0.0015","90","","109.674","0.003","90","","1830.6","0.5","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Co N4 O2 -","- C20 H23 Co N4 O2 -","- C80 H92 Co4 N16 O8 -","4","1","","Scott A. Hilderbrand; Stephen J. Lippard","Cobalt Chemistry with Mixed Aminotroponiminate Salicylaldiminate Ligands: Synthesis, Characterization, and Nitric Oxide Reactivity","Inorganic Chemistry","2004","43","","4674","4682","10.1021/ic049776h","","","0.71073","MoKα","","0.1312","0.0618","","","0.1257","0.1475","","","","","","0.988","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311367","13.8321","0.0002","24.9517","0.0001","14.6924","0.0001","90","","99.229","0.001","90","","5005.21","0.08","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H65 Cl3 Co2 N6 O2 -","- C48 H63 Cl3 Co2 N6 O2 -","- C192 H252 Cl12 Co8 N24 O8 -","4","1","","Scott A. Hilderbrand; Stephen J. Lippard","Cobalt Chemistry with Mixed Aminotroponiminate Salicylaldiminate Ligands: Synthesis, Characterization, and Nitric Oxide Reactivity","Inorganic Chemistry","2004","43","","4674","4682","10.1021/ic049776h","","","0.71073","MoKα","","0.1051","0.0709","","","0.1515","0.17","","","","","","1.149","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311368","8.334","0.0012","8.334","0.0012","22.893","0.005","90","","90","","120","","1377","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Xin-Yi Wang; Lin Gan; Shi-Wei Zhang; Song Gao","Perovskite-like Metal Formates with Weak Ferromagnetism and as Precursors to Amorphous Materials","Inorganic Chemistry","2004","43","","4615","4625","10.1021/ic0498081","","","0.71073","MoKα","","0.0306","0.024","","","0.0586","0.06","","","","","","0.969","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311369","8.1989","0.0012","8.1989","0.0012","22.224","0.004","90","","90","","120","","1293.8","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Co N O6 -","- C5 H3 Co N0.99 O6 -","- C30 H18 Co6 N5.94 O36 -","6","0.166667","","Xin-Yi Wang; Lin Gan; Shi-Wei Zhang; Song Gao","Perovskite-like Metal Formates with Weak Ferromagnetism and as Precursors to Amorphous Materials","Inorganic Chemistry","2004","43","","4615","4625","10.1021/ic0498081","","","0.71073","MoKα","","0.0339","0.0247","","","0.0438","0.0448","","","","","","0.877","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311370","8.1989","0.0012","8.1989","0.0012","22.224","0.004","90","","90","","120","","1293.8","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 N Ni O6 -","- C5 H3 N0.99 Ni O6 -","- C30 H18 N5.94 Ni6 O36 -","6","0.166667","","Xin-Yi Wang; Lin Gan; Shi-Wei Zhang; Song Gao","Perovskite-like Metal Formates with Weak Ferromagnetism and as Precursors to Amorphous Materials","Inorganic Chemistry","2004","43","","4615","4625","10.1021/ic0498081","","","0.71073","MoKα","","0.0244","0.0199","","","0.0476","0.0482","","","","","","1.042","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311371","10.773","0.001","12.2048","0.0014","19.0559","0.0019","76.908","0.012","89.106","0.012","79.637","0.012","2399.8","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Fe3 N12 O4 S4 -","- C38 H38 Fe3 N12 O4 S4 -","- C76 H76 Fe6 N24 O8 S8 -","2","1","","George Psomas; Nicolas Bréfuel; Françoise Dahan; Jean-Pierre Tuchagues","An Unprecedented Trinuclear Structure Involving Two High-Spin and One Spin-Crossover Iron(II) Centers","Inorganic Chemistry","2004","43","","4590","4594","10.1021/ic049877f","","","0.71073","MoKα","","0.0761","0.0584","","","0.1225","0.1283","","","","","","1.109","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311372","22.502","0.003","12.694","0.002","29.393","0.007","90","","90.418","0.012","90","","8396","3","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 B I Ni P3 -","- C48 H44 B I Ni P3 -","- C384 H352 B8 I8 Ni8 P24 -","8","2","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.1013","0.0494","","","0.0824","0.0914","","","","","","1.107","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311373","9.4015","0.0008","11.5998","0.001","29.392","0.003","90","","90","","90","","3205.4","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H53 B Cl Ni P3 -","- C27 H53 B Cl Ni P3 -","- C108 H212 B4 Cl4 Ni4 P12 -","4","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.0526","0.0392","","","0.0717","0.0751","","","","","","1.133","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311374","40.37","0.03","12.887","0.015","16.067","0.012","90","","111.48","0.06","90","","7778","13","98","2","98","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 B Cl N3 Ni P3 -","- C45 H41 B Cl0.172 N2.656 Ni P3 -","- C360 H328 B8 Cl1.376 N21.248 Ni8 P24 -","8","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.0963","0.0489","","","0.0708","0.0781","","","","","","1.139","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311375","13.1627","0.0014","14.3575","0.0015","17.2349","0.0018","101.988","0.002","112.185","0.002","90.58","0.002","2936.1","0.5","96","2","96","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H65 B Ni O P3 Si -","- C72 H65 B Ni O P3 Si -","- C144 H130 B2 Ni2 O2 P6 Si2 -","2","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.1063","0.0556","","","0.0823","0.0911","","","","","","1.079","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311376","38.222","0.002","38.222","0.002","12.5712","0.0009","90","","90","","90","","18365.5","1.9","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C55 H54 B Ni P3 S -","- C55 H54 B Ni P3 S -","- C880 H864 B16 Ni16 P48 S16 -","16","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.1198","0.0523","","","0.0648","0.0706","","","","","","1.388","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311377","16.2376","0.0012","16.469","0.0013","17.7364","0.0014","90","","113.379","0.001","90","","4353.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H47 B Cl Ni O2 P3 -","- C51 H47 B Cl Ni O2 P3 -","- C204 H188 B4 Cl4 Ni4 O8 P12 -","4","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.0928","0.0493","","","0.0732","0.0784","","","","","","1.601","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311378","24.8113","0.0015","13.9514","0.0008","30.9581","0.0019","90","","112.503","0.001","90","","9900.3","1","98","2","98","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C111 H106 B2 Cl3.5 Ni2 O4 P6 -","- C111 H106 B2 Cl3.5 Ni2 O4 P6 -","- C444 H424 B8 Cl14 Ni8 O16 P24 -","4","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.1489","0.0697","","","0.1129","0.1227","","","","","","1.629","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311379","12.0312","0.001","26.359","0.002","12.9206","0.0011","90","","99.15","0.002","90","","4045.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H63 B N Ni P3 -","- C41 H63 B N Ni P3 -","- C164 H252 B4 N4 Ni4 P12 -","4","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.094","0.0513","","","0.0943","0.1015","","","","","","1.577","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311380","19.9842","0.0013","17.8132","0.0011","33.699","0.002","90","","90","","90","","11996.3","1.3","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72.95 H56 B Ni P4 -","- C73.1 H56 B Ni P4 -","- C584.8 H448 B8 Ni8 P32 -","8","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.0977","0.0573","","","0.0951","0.0981","","","","","","2.299","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311381","12.3572","0.001","13.6104","0.0011","15.1576","0.0012","75.775","0.001","70.824","0.001","66.409","0.001","2187.3","0.3","96","2","96","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 B N Ni P3 -","- C50 H50 B N Ni P3 -","- C100 H100 B2 N2 Ni2 P6 -","2","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.07","0.0411","","","0.067","0.0708","","","","","","1.544","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311382","9.6258","0.0005","21.6538","0.0012","16.8244","0.0009","90","","93.871","0.002","90","","3498.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29.87 H61.6 B Ni0.95 P3.95 Tl0.05 -","- C29.8692 H61.6076 B Ni0.9564 P3.9564 Tl0.0436 -","- C119.477 H246.43 B4 Ni3.8256 P15.8256 Tl0.1744 -","4","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.0988","0.0534","","","0.0925","0.097","","","","","","1.518","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311383","9.63","0.0007","12.2632","0.0009","15.4425","0.0011","87.053","0.001","80.119","0.001","84.968","0.001","1788.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H62 B N Ni P3 -","- C32 H62 B N Ni P3 -","- C64 H124 B2 N2 Ni2 P6 -","2","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.0557","0.041","","","0.0876","0.0909","","","","","","1.674","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311384","39.359","0.004","12.9396","0.0013","16.1218","0.0016","90","","110.668","0.002","90","","7682.2","1.3","96","2","96","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 B N Ni O P3 -","- C45 H41 B N Ni O P3 -","- C360 H328 B8 N8 Ni8 O8 P24 -","8","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.0951","0.0492","","","0.0717","0.0788","","","","","","1.11","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311385","14.7025","0.0002","16.2288","0.0002","35.662","0.0005","90","","90","","90","","8509.1","0.2","150","1","150","1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C48 H31 Ag2 Cl2 N5 O8 -","- C48 H31 Ag2 Cl2 N5 O8 -","- C384 H248 Ag16 Cl16 N40 O64 -","8","0.5","","Chih-Chieh Wang; Cheng-Han Yang; Shih-Min Tseng; Sue-Yi Lin; Ti-Yu Wu; Ming-Ren Fuh; Gene-Hsiang Lee; Ken-Tsung Wong; Ruei-Tang Chen; Yi-Ming Cheng; Pi-Tai Chou","Structural Characterization and Luminescence Behavior of a Silver(I) 1D Polymeric Chain Constructed via a Bridge with Unusual 4,5-Diazospirobifluorene and Perchlorate","Inorganic Chemistry","2004","43","","4781","4783","10.1021/ic0351794","","","0.71073","MoKα","","0.1041","0.0714","","","0.1851","0.2118","","","","","","1.127","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311386","8.336","0.004","13.34","0.005","10.429","0.003","90","","91.96","0.03","90","","1159","0.8","293.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Fe N6 O -","- C7 H15 Fe N6 O -","- C28 H60 Fe4 N24 O4 -","4","1","","Masafumi Goto; Nobuhiro Koga; Yasuhiko Ohse; Yuka Kudoh; Michiko Kukihara; Yoshinori Okuno; Hiromasa Kurosaki","Selective Dehydrogenation of Amines with Respect to Coordination Geometry: Different Oxidation Products of Tricyano[bis(2-pyridylmethyl)amine]ferrate(II) between mer- and fac-Isomers","Inorganic Chemistry","2004","43","","5120","5127","10.1021/ic035289a","","","0.7107","MoKα","","","0","","","","0.033","","","","","","1.37","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4311387","36.056","0.004","7.9181","0.001","16.039","0.002","90","","116.099","0.01","90","","4112.2","0.9","150","","150","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl2 N5 O0.5 Ru -","- C21 H18 Cl2 N5 O0.5 Ru -","- C168 H144 Cl16 N40 O4 Ru8 -","8","1","","Anna C. G. Hotze; Erwin P. L. van der Geer; Sabrine E. Caspers; Huub Kooijman; Anthony L. Spek; Jaap G. Haasnoot; Jan Reedijk","Coordination of 9-Ethylguanine to the Mixed-Ligand Compound α-[Ru(azpy)(bpy)Cl~2~] (azpy = 2-phenylazopyridine and bpy = 2,2'-Bipyridine). An Unprecedented Ligand Positional Shift, Correlated to the Cytotoxicity of This Type of [RuL~2~Cl~2~] (with L = azpy or bpy) Complex","Inorganic Chemistry","2004","43","","4935","4943","10.1021/ic035390f","","x-ray","0.71073","MoKα","","0.0476","0.0296","","","0.0606","0.0657","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311388","14.272","0.004","16.596","0.005","17.282","0.005","90","","91.094","0.004","90","","4093","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N15 O3 Pr -","- C42 H24 N15 O3 Pr -","- C168 H96 N60 O12 Pr4 -","4","1","","A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano","Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4839","4845","10.1021/ic035470j","","","0.71073","MoKα","","0.0553","0.038","","","0.0813","0.088","","","","","","1.051","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311389","14.206","0.004","16.462","0.003","17.217","0.003","90","","91.122","0.015","90","","4025.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 Gd N15 O3 -","- C42 H24 Gd N15 O3 -","- C168 H96 Gd4 N60 O12 -","4","1","","A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano","Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4839","4845","10.1021/ic035470j","","","0.71073","MoKα","","0.0589","0.0407","","","0.1088","0.1221","","","","","","1.046","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311390","14.2073","0.0001","16.6396","0.0003","17.2861","0.0004","90","","91.211","0.001","90","","4085.59","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N15 O3 Sm -","- C42 H24 N15 O3 Sm -","- C168 H96 N60 O12 Sm4 -","4","1","","A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano","Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4839","4845","10.1021/ic035470j","","","0.71073","MoKα","","0.1152","0.0668","","","0.1552","0.1891","","","","","","1.072","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311391","11.394","0.001","15.5392","0.0011","15.9601","0.0012","90","","90","","90","","2825.8","0.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Gd N13 O -","- C26 H16 Gd N13 O -","- C104 H64 Gd4 N52 O4 -","4","0.5","","A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano","Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4839","4845","10.1021/ic035470j","","","0.71073","MoKα","","0.0384","0.0342","","","0.0713","0.0737","","","","","","1.037","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311392","11.378","0.002","15.625","0.003","16.048","0.003","90","","90","","90","","2853","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 N13 O Sm -","- C26 H16 N13 O Sm -","- C104 H64 N52 O4 Sm4 -","4","0.5","","A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano","Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4839","4845","10.1021/ic035470j","","","0.71073","MoKα","","0.0517","0.0429","","","0.1097","0.1218","","","","","","1.067","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311393","11.2806","0.0006","15.8467","0.0009","16.1837","0.001","90","","90","","90","","2893","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 La N13 O -","- C26 H16 La N13 O -","- C104 H64 La4 N52 O4 -","4","0.5","","A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano","Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","4839","4845","10.1021/ic035470j","","","0.71073","MoKα","","0.0574","0.0545","","","0.1899","0.1935","","","","","","1.083","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311394","17.139","0.008","11.904","0.006","12.566","0.006","90","","109.43","0.08","90","","2418","2","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F6 N4 O5 P Re -","- C22 H16 F6 N4 O5 P Re -","- C88 H64 F24 N16 O20 P4 Re4 -","4","1","","Michael Busby; Anders Gabrielsson; Pavel Matousek; Michael Towrie; Angel J. Di Bilio; Harry B. Gray; Antonín Vlček","Excited-State Dynamics of fac-[ReI(L)(CO)3(phen)]+ and fac-[ReI(L)(CO)3(5-NO2-phen)]+ (L = Imidazole, 4-Ethylpyridine; Phen = 1,10-Phenanthroline) Complexes","Inorganic Chemistry","2004","43","","4994","5002","10.1021/ic035471b","","","0.71073","MoKα","","0.0738","0.0323","","","0.0807","0.0976","","","","","","0.79","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311395","11.5104","0.0014","19.986","0.002","25.219","0.004","90","","99.299","0.009","90","","5725.3","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","99011Z","","","- C63 H64 F6 N2 P3 Rh -","- C63 H64 F6 N2 P3 Rh -","- C252 H256 F24 N8 P12 Rh4 -","4","1","","Paolo Marcazzan; Chalil Abu-Gnim; Kapila N. Seneviratne; Brian R. James","Imine Hydrolysis and Role of a Rhodium(I)-Imine-Amine Complex in Homogeneous H2-Hydrogenation of the Imine and a Rare Example of Inequivalent NH2 Protons","Inorganic Chemistry","2004","43","","4820","4824","10.1021/ic040037a","","","0.71073","MoKα","","0.066","0.0415","","","0.097","0.1096","","","","","","1.016","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311396","20.668","0.0015","15.268","0.0011","18.4691","0.0013","90","","90","","90","","5828.1","0.7","153","2","153","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C18 H68 N18 Ni2 O10 Re6 Te8 -","- C18 H48 N18 Ni2 Re6 Te8 -","- C72 H192 N72 Ni8 Re24 Te32 -","4","0.5","","Konstantin A. Brylev; Yuri V. Mironov; Nikolai G. Naumov; Vladimir E. Fedorov; James A. Ibers","New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine","Inorganic Chemistry","2004","43","","4833","4838","10.1021/ic040046j","","","0.71073","MoKα","","0.0692","0.0443","","","0.1002","0.1061","","","","","","1.027","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311397","10.3607","0.0007","10.6377","0.0007","21.2875","0.0014","90","","97.17","0.001","90","","2327.8","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H44 N18 Ni2 O2 Re6 Te8 -","- C10 H44 N18 Ni2 O2 Re6 Te8 -","- C20 H88 N36 Ni4 O4 Re12 Te16 -","2","0.5","","Konstantin A. Brylev; Yuri V. Mironov; Nikolai G. Naumov; Vladimir E. Fedorov; James A. Ibers","New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine","Inorganic Chemistry","2004","43","","4833","4838","10.1021/ic040046j","","","0.71073","MoKα","","0.0539","0.0335","","","0.0731","0.0805","","","","","","1.235","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311398","30.996","0.004","30.996","0.004","9.3121","0.0019","90","","90","","120","","7748","2","153","2","153","2","","","","","","","","7","P -3","-P 3","147","","","","- C20 H73 N21 Ni2 O19 Re4 Te4 -","- C18 H24 N18 Ni1.5 O3 Re4 Te4 -","- C108 H144 N108 Ni9 O18 Re24 Te24 -","6","1","","Konstantin A. Brylev; Yuri V. Mironov; Nikolai G. Naumov; Vladimir E. Fedorov; James A. Ibers","New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine","Inorganic Chemistry","2004","43","","4833","4838","10.1021/ic040046j","","","0.71073","MoKα","","0.0843","0.057","","","0.1542","0.1646","","","","","","1.061","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311399","14.4302","0.0011","15.9821","0.0012","12.3157","0.001","90","","90","","90","","2840.3","0.4","153","2","153","2","","","","","","","","8","C m m m","-C 2 2","65","","","","- C18 H62 Cl2 Co3 N22 O Re6 Te8 -","- C18 H70 Cl2 Co3 N22 O Re6 Te8 -","- C36 H140 Cl4 Co6 N44 O2 Re12 Te16 -","2","0.125","","Konstantin A. Brylev; Yuri V. Mironov; Nikolai G. Naumov; Vladimir E. Fedorov; James A. Ibers","New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine","Inorganic Chemistry","2004","43","","4833","4838","10.1021/ic040046j","","","0.71073","MoKα","","0.0614","0.0388","","","0.0856","0.0973","","","","","","1.252","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311400","10.7689","0.0006","16.5594","0.0009","24.3631","0.0014","90","","92.07","0.001","90","","4341.8","0.4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H40 N14 O4 Re6 Te8 Zn2 -","- C14 H40 N14 O4 Re6 Te8 Zn2 -","- C56 H160 N56 O16 Re24 Te32 Zn8 -","4","1","","Konstantin A. Brylev; Yuri V. Mironov; Nikolai G. Naumov; Vladimir E. Fedorov; James A. Ibers","New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine","Inorganic Chemistry","2004","43","","4833","4838","10.1021/ic040046j","","","0.71073","MoKα","","0.0464","0.033","","","0.0754","0.0811","","","","","","1.166","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311401","14.8881","0.0007","29.168","0.001","27.426","0.001","90","","94.468","0.003","90","","11873.7","0.8","150.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.1 H89 Cl12.2 Mn12 O52.4 P4 -","- C78.1 H89 Cl12.2 Mn12 O52.4 P4 -","- C312.4 H356 Cl48.8 Mn48 O209.6 P16 -","4","1","","Guo-Qing Bian; Takayoshi Kuroda-Sowa; Hisashi Konaka; Masaki Hatano; Masahiko Maekawa; Megumu Munakata; Hitoshi Miyasaka; Masahiro Yamashita","A Mn12 Single-Molecule Magnet [Mn12O12(OAc)12(dpp)4] (dppH = Diphenyl Phosphate) with No Coordinating Water Molecules","Inorganic Chemistry","2004","43","","4790","4792","10.1021/ic049306n","","","0.7107","MoKα","","","0.0725","","","","0.1683","","","","","","1.161","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311402","17.6167","0.0001","19.0794","0.0003","11.1204","0.0004","90","","90","","90","","3737.75","0.15","295","2","295","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H70 Cu3 N28 O8 W2 -","- C64 H66 Cu3 N28 O8 W2 -","- C128 H132 Cu6 N56 O16 W4 -","2","0.5","","Tomasz Korzeniak; Katarzyna Stadnicka; Michał Rams; Barbara Sieklucka","Grid-Type Two-Dimensional Magnetic Multinuclear Metal Complex: Strands of {[CuII(μ-4,4'-bpy)]2+}n Cross-Linked by Octacyanotungstate(V) Ions","Inorganic Chemistry","2004","43","","4811","4813","10.1021/ic049402o","","","0.71073","MoKα","","0.0289","0.0273","","","0.0822","0.0865","","","","","","1.283","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311403","5.133","0.0005","6.387","0.0006","16.938","0.003","88.715","0.005","84.201","0.005","67.23","0.005","509.32","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12.8 H8.8 Cl0.8 Mn0.4 O4.8 Rh0.4 S8 -","- C10 H8 S8 -","- C10 H8 S8 -","1","0.5","","Eugenio Coronado; José R. Galán-Mascarós; Carlos J. Gómez-García; Eugenia Martínez-Ferrero; Sander van Smaalen","Incommensurate Nature of the Multilayered Molecular Ferromagnetic Metals Based on Bis(ethylenedithio)tetrathiafulvalene and Bimetallic Oxalate Complexes","Inorganic Chemistry","2004","43","","4808","4810","10.1021/ic049424a","","","0.71073","MoKα","","0.1163","0.0884","","","0.2239","0.2424","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311404","9.348","0.0011","9.403","0.0014","16.947","0.004","88.51","0.006","85.137","0.004","119.617","0.005","1286.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.3 H22.24 Cl2 Mn O12 Rh S20.24 -","- C6.66 Cl1.02 Mn O12 Rh -","- C6.66 Cl1.02 Mn O12 Rh -","1","0.5","","Eugenio Coronado; José R. Galán-Mascarós; Carlos J. Gómez-García; Eugenia Martínez-Ferrero; Sander van Smaalen","Incommensurate Nature of the Multilayered Molecular Ferromagnetic Metals Based on Bis(ethylenedithio)tetrathiafulvalene and Bimetallic Oxalate Complexes","Inorganic Chemistry","2004","43","","4808","4810","10.1021/ic049424a","","","0.71073","MoKα","","0.2207","0.1134","","","0.262","0.3274","","","","","","0.968","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311405","14.938","0.0018","21.368","0.003","16.926","0.002","90","","115.863","0.002","90","","4861.6","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H160 N22 Ni O2 -","- C88 H160 N22 Ni O2 -","- C176 H320 N44 Ni2 O4 -","2","0.5","","Gregory B. Less; Jeff W. Kampf; Paul G. Rasmussen","4-Cyanoimidazolate: A New Pseudo-Cyanide?","Inorganic Chemistry","2004","43","","4897","4902","10.1021/ic049434b","","","0.71073","MoKα","","0.0909","0.0707","","","0.1917","0.2058","","","","","","1.083","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311406","10.916","0.002","21.288","0.004","21.608","0.004","90","","93.33","0.03","90","","5012.8","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H55 N2 P4 Yb -","- C58 H55 N2 P4 Yb -","- C232 H220 N8 P16 Yb4 -","4","1","","Michael T. Gamer; Peter W. Roesky","Ytterbium and Samarium Bis(diphosphanylamides): Syntheses and Structures of Lanthanide Complexes Having Two {(Ph2P)2N}-Ligands in the Coordination Sphere","Inorganic Chemistry","2004","43","","4903","4906","10.1021/ic049437o","","","0.71073","MoKα","","0.026","0.0226","","","0.0647","0.0708","","","","","","1.175","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4311407","10.5096","0.0001","12.5288","0.0001","15.1664","0.0002","112.003","0.0005","90.6617","0.0004","91.199","0.0004","1850.74","0.03","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Fe N3 O2 P2 S5 -","- C36 H30 Fe N3 O2 P2 S5 -","- C72 H60 Fe2 N6 O4 P4 S10 -","2","1","","Ming-Li Tsai; Chiao-Chun Chen; I-Jui Hsu; Shyue-Chu Ke; Chung-Hung Hsieh; Kuo-An Chiang; Gene-Hsiang Lee; Yu Wang; Jin-Ming Chen; Jyh-Fu Lee; Wen-Feng Liaw","Photochemistry of the Dinitrosyl Iron Complex [S5Fe(NO)2]- Leading to Reversible Formation of [S5Fe(μ-S)2FeS5]2-: Spectroscopic Characterization of Species Relevant to the Nitric Oxide Modification and Repair of [2Fe-2S] Ferredoxins","Inorganic Chemistry","2004","43","","5159","5167","10.1021/ic0494915","","","0.71073","MoKα","","0.0837","0.0422","","","0.0939","0.1131","","","","","","1.034","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311408","18.566","0.008","11.982","0.004","20.13","0.01","90","","102.239","0.016","90","","4376","3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 N2 O2 P2 Ru -","- C52 H44 N2 O2 P2 Ru -","- C208 H176 N8 O8 P8 Ru4 -","4","1","","Sumon Nag; Parna Gupta; Ray J. Butcher; Samaresh Bhattacharya","Unprecedented Migration of a Methyl Group in 2-(2',6'-Dimethylphenylazo)-4-methylphenol Mediated by Ruthenium","Inorganic Chemistry","2004","43","","4814","4816","10.1021/ic049494h","","","0.71073","MoKα","","0.1353","0.0752","","","0.1319","0.1511","","","","","","1.083","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311409","18.343","0.008","12.071","0.004","20.628","0.013","90","","109.9","0.02","90","","4295","4","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 N2 O2 P2 Ru -","- C52 H44 N2 O2 P2 Ru -","- C208 H176 N8 O8 P8 Ru4 -","4","1","","Sumon Nag; Parna Gupta; Ray J. Butcher; Samaresh Bhattacharya","Unprecedented Migration of a Methyl Group in 2-(2',6'-Dimethylphenylazo)-4-methylphenol Mediated by Ruthenium","Inorganic Chemistry","2004","43","","4814","4816","10.1021/ic049494h","","","0.71073","MoKα","","0.0386","0.0325","","","0.0814","0.0848","","","","","","1.031","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311410","29.025","0.006","7.186","0.0014","15.743","0.003","90","","105.92","0.03","90","","3157.6","1.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-[(NH4)2Mn3(H2O)4[Mo(CN)7]2]4H2O","","","- C14 H24 Mn3 Mo2 N16 O8 -","- C14 H24 Mn3 Mo2 N16 O8 -","- C56 H96 Mn12 Mo8 N64 O32 -","4","0.5","","Xavier F. Le Goff; Stéphanie Willemin; Claude Coulon; Joulia Larionova; Bruno Donnadieu; Rodolphe Clérac","[NH4]2Mn3(H2O)4[Mo(CN)7]2.4H2O: Tuning Dimensionality and Ferrimagnetic Ordering Temperature by Cation Substitution","Inorganic Chemistry","2004","43","","4784","4786","10.1021/ic049513n","","","0.71073","MoKα","","0.0403","0.0315","","","0.0807","0.0852","","","","","","1.079","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311411","9.3452","0.0007","12.7195","0.0009","19.6942","0.0014","99.973","0.001","98.952","0.001","91.91","0.001","2273.1","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 N10 -","- C23 H26 N10 -","- C92 H104 N40 -","4","2","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.1038","0.0588","","","0.1479","0.1615","","","","","","0.973","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311412","22.9279","0.0017","8.3801","0.0006","12.929","0.001","90","","91.893","0.001","90","","2482.8","0.3","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C26 H30 N10 -","- C26 H30 N10 -","- C104 H120 N40 -","4","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0928","0.0466","","","0.1153","0.1361","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311413","17.6347","0.0011","9.9451","0.0006","17.9814","0.0011","90","","110.997","0.001","90","","2944.2","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 I3 La N10 -","- C23 H26 I3 La N10 -","- C92 H104 I12 La4 N40 -","4","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.067","0.0404","","","0.0925","0.0974","","","","","","0.947","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311414","33.6224","0.0011","33.6224","0.0011","15.2549","0.0007","90","","90","","120","","14934.7","1","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25.33 H29.5 I3 La N11.17 -","- C25.3333 H29.5 I3 La N11.1667 -","- C456 H531 I54 La18 N201 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0267","0.0216","","","0.0476","0.0486","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311415","33.5808","0.0017","33.5808","0.0017","15.2125","0.0011","90","","90","","120","","14856.4","1.5","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25.33 H29.5 Ce I3 N11.17 -","- C25.3333 H29.5 Ce I3 N11.1667 -","- C456 H531 Ce18 I54 N201 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0342","0.0286","","","0.0647","0.066","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311416","33.4928","0.0016","33.4928","0.0016","15.1242","0.001","90","","90","","120","","14692.8","1.4","223","2","223","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25.33 H29.5 I3 N11.17 Nd -","- C25.3333 H26 I3 N11.1667 Nd -","- C456 H468 I54 N201 Nd18 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0542","0.0283","","","0.0501","0.0532","","","","","","0.817","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311417","33.4373","0.0013","33.4373","0.0013","15.1099","0.0008","90","","90","","120","","14630.3","1.1","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C25.33 H29.5 I3 N11.17 U -","- C25.3333 H26 I3 N11.1667 U -","- C456 H468 I54 N201 U18 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0366","0.0306","","","0.0705","0.0721","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311418","10.262","0.003","19.748","0.006","18.636","0.006","90","","91.965","0.006","90","","3774","2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 I3 Lu N13 -","- C29 H35 I3 Lu N13 -","- C116 H140 I12 Lu4 N52 -","4","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.1232","0.0624","","","0.139","0.1633","","","","","","0.929","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311419","33.379","0.004","33.379","0.004","16.034","0.003","90","","90","","120","","15471","4","223","2","223","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H31.5 I3 La N10.5 -","- C27 H31.5 I3 La N10.5 -","- C486 H567 I54 La18 N189 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0634","0.035","","","0.0672","0.0926","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311420","33.281","0.003","33.281","0.003","16.032","0.002","90","","90","","120","","15378","3","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H31.5 Ce I3 N10.5 -","- C27 H31.5 Ce I3 N10.5 -","- C486 H567 Ce18 I54 N189 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0806","0.0427","","","0.0712","0.0911","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311421","33.213","0.002","33.213","0.002","16.0155","0.0018","90","","90","","120","","15300","2","223","2","223","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H31.5 I3 N10.5 Nd -","- C27 H31.5 I3 N10.5 Nd -","- C486 H567 I54 N189 Nd18 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0793","0.0352","","","0.0647","0.1044","","","","","","0.991","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311422","33.153","0.0012","33.153","0.0012","15.9643","0.0008","90","","90","","120","","15195.9","1.1","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H31.5 I3 N10.5 U -","- C27 H30 I3 N10.5 U -","- C486 H540 I54 N189 U18 -","18","1","","Lydia Karmazin; Marinella Mazzanti; Jean-Philippe Bezombes; Christelle Gateau; Jacques Pécaut","Comparative Structural Studies of Iodide Complexes of Uranium(III) and Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands","Inorganic Chemistry","2004","43","","5147","5158","10.1021/ic049538m","","","0.71073","MoKα","","0.0564","0.042","","","0.0881","0.1005","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311423","10.2778","0.0008","17.8297","0.0013","12.8935","0.0016","90","","93.158","0.008","90","","2359.1","0.4","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 K2 O4 P2 Se4 -","- C40 H52 K2 O4 P2 Se4 -","- C80 H104 K4 O8 P4 Se8 -","2","0.5","","Robert P. Davies; Claire V. Francis; Andrew P. S. Jurd; M. Giovanna Martinelli; Andrew J. P. White; David J. Williams","Coordination Chemistry of Diselenophosphinate Complexes: The X-ray Single-Crystal Structures of [K(Se2PPh2)(THF)2]2 and [In(Se2PPh2)3].L (L = THF, PhMe)","Inorganic Chemistry","2004","43","","4802","4804","10.1021/ic049567x","","","0.71073","MoKα","","0.1511","0.0621","","","0.1288","0.1535","","","","","","0.916","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311424","13.1962","0.001","15.278","0.0015","21.78","0.003","90","","94.606","0.008","90","","4376.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 In O P3 Se6 -","- C40 H38 In O P3 Se6 -","- C160 H152 In4 O4 P12 Se24 -","4","1","","Robert P. Davies; Claire V. Francis; Andrew P. S. Jurd; M. Giovanna Martinelli; Andrew J. P. White; David J. Williams","Coordination Chemistry of Diselenophosphinate Complexes: The X-ray Single-Crystal Structures of [K(Se2PPh2)(THF)2]2 and [In(Se2PPh2)3].L (L = THF, PhMe)","Inorganic Chemistry","2004","43","","4802","4804","10.1021/ic049567x","","","0.71073","MoKα","","0.117","0.0546","","0.1253","0.0992","","","","1.01","1.103","1.103","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311425","12.85","0.0015","15.427","0.002","22.395","0.002","90","","98.512","0.009","90","","4390.6","0.9","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 In P3 Se6 -","- C43 H38 In P3 Se6 -","- C172 H152 In4 P12 Se24 -","4","1","","Robert P. Davies; Claire V. Francis; Andrew P. S. Jurd; M. Giovanna Martinelli; Andrew J. P. White; David J. Williams","Coordination Chemistry of Diselenophosphinate Complexes: The X-ray Single-Crystal Structures of [K(Se2PPh2)(THF)2]2 and [In(Se2PPh2)3].L (L = THF, PhMe)","Inorganic Chemistry","2004","43","","4802","4804","10.1021/ic049567x","","","0.71073","MoKα","","0.0915","0.0473","","0.0936","0.0789","","","","1.007","1.076","1.076","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311426","15.4043","0.0004","18.1313","0.0005","21.0324","0.0004","90","","93.844","0.001","90","","5861.1","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H132 Cu12 Mo4 N2 O16 P6 S24 -","- C56 H132 Cu12 Mo4 N2 O16 P6 S24 -","- C112 H264 Cu24 Mo8 N4 O32 P12 S48 -","2","0.5","","Zhihua Li; Shaowu Du; Xintao Wu","Construction of a Novel Mo/Cu/S Cluster with a Closed Double-Cubane-like Polyhedron and a Chain Polymer of W/Cu/S Clusters","Inorganic Chemistry","2004","43","","4776","4777","10.1021/ic049587z","","","0.71073","MoKα","","","0.0653","","","0.158","0.2293","","","","","","1.183","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311427","7.682","0.003","21.914","0.009","25.581","0.011","90","","92.698","0.004","90","","4302","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H50 Cu4 N O6 P3 S10 W -","- C20 H50 Cu4 N O6 P3 S10 W -","- C80 H200 Cu16 N4 O24 P12 S40 W4 -","4","1","","Zhihua Li; Shaowu Du; Xintao Wu","Construction of a Novel Mo/Cu/S Cluster with a Closed Double-Cubane-like Polyhedron and a Chain Polymer of W/Cu/S Clusters","Inorganic Chemistry","2004","43","","4776","4777","10.1021/ic049587z","","","0.71073","MoKα","","","0.0724","","","0.1541","0.1697","","","","","","1.11","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311428","16.8277","0.0004","12.2576","0.0003","9.7062","0.0002","90","","90","","90","","2002.07","0.08","173","2","173","2","","","","","","","synthesis as described","5","A e a 2","A 2 -2ab","41","[CuCl2Cu(C8H15)2]","","","- C16 H30 Cl2 Cu2 N6 -","- C16 H30 Cl2 Cu2 N6 -","- C64 H120 Cl8 Cu8 N24 -","4","0.5","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Structural Consequences of the Prohibition of Hydrogen Bonding in Copper-Guanidine Systems","Inorganic Chemistry","2004","43","","5168","5172","10.1021/ic0495970","","x-ray","0.71073","MoKα","","0.0265","0.0239","","","0.0544","0.0559","","","","","","0.955","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4311429","9.5104","0.0002","15.1205","0.0003","15.3723","0.0003","90","","90","","90","","2210.57","0.08","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cu2 I2 N6 -","- C16.036 H28.76 Cu2 I2 N6 -","- C64.144 H115.04 Cu8 I8 N24 -","4","0.5","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Structural Consequences of the Prohibition of Hydrogen Bonding in Copper-Guanidine Systems","Inorganic Chemistry","2004","43","","5168","5172","10.1021/ic0495970","","x-ray","0.71073","MoKα","","0.045","0.0372","","","0.0964","0.1008","","","","","","1.084","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311430","7.8072","0.0003","9.6668","0.0003","10.7091","0.0005","111.982","0.003","97.576","0.003","106.227","0.002","693.77","0.05","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[CuCl(C7H12N2SiMe3]","","","- C10 H21 Cl Cu N3 Si -","- C10 H21 Cl Cu N3 Si -","- C20 H42 Cl2 Cu2 N6 Si2 -","2","1","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Structural Consequences of the Prohibition of Hydrogen Bonding in Copper-Guanidine Systems","Inorganic Chemistry","2004","43","","5168","5172","10.1021/ic0495970","","","0.71073","MoKα","","0.0389","0.0318","","","0.0642","0.067","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311431","13.4247","0.0012","16.7179","0.0016","14.914","0.0011","90","","100.225","0.01","90","","3294","0.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Cl2 Fe2 N4 O8 -","- C31 H28 Cl2 Fe2 N4 O8 -","- C124 H112 Cl8 Fe8 N16 O32 -","4","0.5","","Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen","Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes","Inorganic Chemistry","2004","43","","5053","5068","10.1021/ic049600f","","","0.71073","MoKα","","0.0606","0.0316","","","0.0571","0.0612","","","","","","0.842","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311432","17.9897","0.0008","13.8773","0.0006","31.0893","0.0019","90","","90","","90","","7761.4","0.7","153","2","153","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C34 H38 Cl2 Fe3 N3 O12 -","- C34 H38 Cl2 Fe3 N3 O12 -","- C272 H304 Cl16 Fe24 N24 O96 -","8","2","","Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen","Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes","Inorganic Chemistry","2004","43","","5053","5068","10.1021/ic049600f","","","0.71073","MoKα","","0.0782","0.0455","","","0.1065","0.1208","","","","","","0.654","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311433","9.7371","0.0011","40.685","0.004","13.1279","0.0015","90","","106.802","0.009","90","","4978.6","1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cl2 Fe3 N3 O12 -","- C52 H50 Cl2 Fe3 N3 O12 -","- C208 H200 Cl8 Fe12 N12 O48 -","4","1","","Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen","Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes","Inorganic Chemistry","2004","43","","5053","5068","10.1021/ic049600f","","","0.71073","MoKα","","0.2085","0.1026","","","0.2083","0.2499","","","","","","0.981","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311434","17.3156","0.0014","8.098","0.0006","25.702","0.003","90","","118.058","0.007","90","","3180.4","0.5","153","2","153","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66.5 H66 Fe4 N4 O14.5 -","- C66.5 H66 Fe4 N4 O14.5 -","- C133 H132 Fe8 N8 O29 -","2","0.5","","Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen","Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes","Inorganic Chemistry","2004","43","","5053","5068","10.1021/ic049600f","","","0.71073","MoKα","","0.0724","0.0398","","","0.0928","0.1013","","","","","","0.867","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311435","15.3288","0.0009","15.9751","0.001","20.0357","0.0013","104.081","0.005","99.318","0.005","116.649","0.004","4040.1","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H70 Fe5 N8 O27 -","- C74 H68 Fe5 N8 O27 -","- C148 H136 Fe10 N16 O54 -","2","1","","Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen","Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes","Inorganic Chemistry","2004","43","","5053","5068","10.1021/ic049600f","","","0.71073","MoKα","","0.0853","0.0588","","","0.1597","0.1764","","","","","","1","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4311436","14.6913","0.0012","23.5238","0.0018","23.4482","0.0018","62.31","0.008","88.319","0.01","72.627","0.009","6790.5","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H66.5 Cl9 Fe5 N4 O18.25 -","- C52.5 H66 Cl9 Fe5 N4 O18.25 -","- C210 H264 Cl36 Fe20 N16 O73 -","4","2","","Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen","Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes","Inorganic Chemistry","2004","43","","5053","5068","10.1021/ic049600f","","","0.71073","MoKα","","0.1307","0.0834","","","0.213","0.2365","","","","","","0.939","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311437","14.4742","0.0013","15.479","0.0015","21.1155","0.0018","87.069","0.011","79.397","0.01","69.702","0.01","4360.9","0.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C90.5 H82 Cl4 Fe5 N4 O20 -","- C90.5 H79 Cl4 Fe5 N4 O20 -","- C181 H158 Cl8 Fe10 N8 O40 -","2","1","","Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen","Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes","Inorganic Chemistry","2004","43","","5053","5068","10.1021/ic049600f","","","0.71073","MoKα","","0.0918","0.0584","","","0.1676","0.1802","","","","","","0.997","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4311438","11.357","0.003","12.945","0.003","12.947","0.003","103.461","0.015","100.07","0.007","96.107","0.018","1801","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dimer of (salicylidene o-hydoxyanillino)(8-hydroxy- quinolino)gallium","","- C44 H30 Ga2 N4 O6 -","- C44 H30 Ga2 N4 O6 -","- C88 H60 Ga4 N8 O12 -","2","1","","Juan Qiao; Li D. Wang; Lian Duan; Yang Li; De Q. Zhang; Yong Qiu","Synthesis, Crystal Structure, and Luminescent Properties of a Binuclear Gallium Complex with Mixed Ligands","Inorganic Chemistry","2004","43","","5096","5102","10.1021/ic049603s","","","0.71073","MoKα","","0.1502","0.0627","","","0.1012","0.129","","","","","","1.068","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311439","10.0348","0.0007","13.5631","0.0009","12.4213","0.001","90","","95.336","0.004","90","","1683.2","0.2","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H35 Cu N5 O16 -","- C28 H35 Cu N5 O16 -","- C56 H70 Cu2 N10 O32 -","2","1","","Yuji Mikata; Yuko Sugai; Shigenobu Yano","Control of Oxygen Atom Chirality and Chelate Ring Conformation by Protected/Free Sugar Hydroxyl Groups in Glucose-Pendant Dipicolylamine-Copper(II) Complexes","Inorganic Chemistry","2004","43","","4778","4780","10.1021/ic0496323","","","0.7107","MoKalpha","","","0.033","","","","0.073","","","","","","0.951","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311440","8.7208","0.0007","16.3103","0.0011","9.8981","0.0008","90","","104.383","0.004","90","","1363.77","0.18","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 Cu N5 O12 -","- C22 H33 Cu N5 O12 -","- C44 H66 Cu2 N10 O24 -","2","1","","Yuji Mikata; Yuko Sugai; Shigenobu Yano","Control of Oxygen Atom Chirality and Chelate Ring Conformation by Protected/Free Sugar Hydroxyl Groups in Glucose-Pendant Dipicolylamine-Copper(II) Complexes","Inorganic Chemistry","2004","43","","4778","4780","10.1021/ic0496323","","","0.7107","MoKalpha","","","0.033","","","","0.086","","","","","","0.947","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311441","10.3775","0.001","16.1913","0.0012","12.2664","0.0013","90","","109.893","0.011","90","","1938.1","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 Ni S7 -","- C13 H18 N2 Ni S7 -","- C52 H72 N8 Ni4 S28 -","4","1","","Simona Curreli; Paola Deplano; Christophe Faulmann; Andrea Ienco; Carlo Mealli; Maria Laura Mercuri; Luca Pilia; Gloria Pintus; Angela Serpe; Emanuele F. Trogu","Electronic Factors Affecting Second-Order NLO Properties: Case Study of Four Different Push-Pull Bis-Dithiolene Nickel Complexes","Inorganic Chemistry","2004","43","","5069","5079","10.1021/ic0496469","","","0.71073","MoKα","","0.0377","0.0277","","","0.0628","0.0662","","","","","","1.002","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311442","12.0655","0.0006","12.4897","0.0007","12.7057","0.0007","90","","95.714","0.003","90","","1905.17","0.18","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","bromo hydrotris(methimazolyl)borato cobalt(II)","","","- C12 H16 B Br Co N6 S3 -","- C12 H16 B Br Co N6 S3 -","- C48 H64 B4 Br4 Co4 N24 S12 -","4","1","","Christopher A. Dodds; Mario-Alexander Lehmann; Jonathan F. Ojo; John Reglinski; Mark D. Spicer","Cobalt Half-Sandwich, Sandwich, and Mixed Sandwich Complexes with Soft Tripodal Ligands","Inorganic Chemistry","2004","43","","4927","4934","10.1021/ic0496525","","x-ray","0.71073","MoKα","","0.0828","0.0462","","","0.0934","0.1066","","","","","","1.023","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311443","34.0403","0.0007","12.8344","0.0003","19.2489","0.0005","90","","101.54","0.001","90","","8239.6","0.3","123","2","123","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","[Co(Tm)2]BF4. 0.5H2O . 0.25THF","","","- C25 H35 B3 Co F4 N12 O0.75 S6 -","- C25.5 H32 B3 Co F4 N12 O S6 -","- C204 H256 B24 Co8 F32 N96 O8 S48 -","8","1","","Christopher A. Dodds; Mario-Alexander Lehmann; Jonathan F. Ojo; John Reglinski; Mark D. Spicer","Cobalt Half-Sandwich, Sandwich, and Mixed Sandwich Complexes with Soft Tripodal Ligands","Inorganic Chemistry","2004","43","","4927","4934","10.1021/ic0496525","","x-ray","0.71073","MoKα","","0.086","0.0559","","","0.1488","0.1643","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311444","11.302","0.005","16.167","0.005","11.902","0.005","90","","90","","90","","2174.7","1.5","123","2","123","2","","","","","","","synthesis as described","6","P c 21 n","P -2n -2ac","33","[Co(mtH)3I]I","","","- C12 H18 Co I2 N6 S3 -","- C12 H18 Co I2 N6 S3 -","- C48 H72 Co4 I8 N24 S12 -","4","1","","Christopher A. Dodds; Mario-Alexander Lehmann; Jonathan F. Ojo; John Reglinski; Mark D. Spicer","Cobalt Half-Sandwich, Sandwich, and Mixed Sandwich Complexes with Soft Tripodal Ligands","Inorganic Chemistry","2004","43","","4927","4934","10.1021/ic0496525","","x-ray","0.71069","MoKα","","0.0378","0.0293","","","0.0715","0.0747","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311445","12.647","0.002","12.957","0.002","20.815","0.007","102.97","0.005","92.79","0.02","105.61","0.01","3179.6","1.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H71 Cl5 N16 O21 Zn2 -","- C50 H63 Cl5 N16 O21 Zn2 -","- C100 H126 Cl10 N32 O42 Zn4 -","2","1","","Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Andrea Danesi; Claudia Giorgi; Barbara Valtancoli; Carlos Lodeiro; João Carlos Lima; Fernando Pina; M. Alexandra Bernardo","New Terpyridine-Containing Macrocycle for the Assembly of Dimeric Zn(II) and Cu(II) Complexes Coupled by Bridging Hydroxide Anions and π-Stacking Interactions","Inorganic Chemistry","2004","43","","5134","5146","10.1021/ic049660l","","","1.5418","CuKα","","0.1397","0.0748","","","0.1535","0.184","","","","","","1.021","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311446","15.099","0.009","19.567","0.005","24.4","0.01","90","","105.09","0.04","90","","6960","5","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 Br Cd2 Cl5 N16 O24 -","- C50 H64 Br Cd2 Cl5 N16 O24 -","- C200 H256 Br4 Cd8 Cl20 N64 O96 -","4","1","","Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Andrea Danesi; Claudia Giorgi; Barbara Valtancoli; Carlos Lodeiro; João Carlos Lima; Fernando Pina; M. Alexandra Bernardo","New Terpyridine-Containing Macrocycle for the Assembly of Dimeric Zn(II) and Cu(II) Complexes Coupled by Bridging Hydroxide Anions and π-Stacking Interactions","Inorganic Chemistry","2004","43","","5134","5146","10.1021/ic049660l","","","0.71069","MoKα","","0.1502","0.0724","","","0.1905","0.2225","","","","","","0.926","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311447","17.4581","0.0008","16.678","0.0008","18.0894","0.0009","90","","115.654","0.001","90","","4747.8","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H56 B2 Cl2 F4 O4 P4 Pd2 -","- C40 H56 B2 Cl2 F4 O4 P4 Pd2 -","- C160 H224 B8 Cl8 F16 O16 P16 Pd8 -","4","2","","Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung","Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide","Inorganic Chemistry","2004","43","","4921","4926","10.1021/ic049744u","","","0.71073","MoKα","","0.0323","0.0303","","","0.0669","0.0679","","","","","","1.017","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311448","10.298","0.002","11.961","0.002","46.69","0.009","90","","90","","90","","5751","1.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H76 Cu N2 O4 P4 Pd2 S4 -","- C50 H74 Cu N2 O4 P4 Pd2 S4 -","- C200 H296 Cu4 N8 O16 P16 Pd8 S16 -","4","1","","Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung","Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide","Inorganic Chemistry","2004","43","","4921","4926","10.1021/ic049744u","","","0.71073","MoKα","","0.0562","0.048","","","0.08","0.0827","","","","","","1.059","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311449","14.925","0.0017","10.5019","0.0012","16.968","0.0019","90","","112.281","0.002","90","","2461","0.5","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C40 H56 B2 F4 O4 P4 Pd2 S4 W -","- C40 H56 B2 F4 O4 P4 Pd2 S4 W -","- C80 H112 B4 F8 O8 P8 Pd4 S8 W2 -","2","1","","Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung","Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide","Inorganic Chemistry","2004","43","","4921","4926","10.1021/ic049744u","","","0.71073","MoKα","","0.0595","0.0388","","","0.0687","0.0739","","","","","","0.843","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311450","12.0114","0.001","13.8565","0.0012","15.0639","0.0013","82.173","0.002","87.444","0.002","72.98","0.002","2375","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H58 Cl4 O4 P2 Ru2 Zn2 -","- C40 H58 Cl4 O4 P2 Ru2 Zn2 -","- C80 H116 Cl8 O8 P4 Ru4 Zn4 -","2","1","","Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung","Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide","Inorganic Chemistry","2004","43","","4921","4926","10.1021/ic049744u","","","0.71073","MoKα","","0.0741","0.0484","","","0.1015","0.1082","","","","","","0.99","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311451","9.5361","0.0008","15.3206","0.0012","20.0421","0.0016","90","","90","","90","","2928.1","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N O2 P2 Pd S2 -","- C25 H39 N O2 P2 Pd S2 -","- C100 H156 N4 O8 P8 Pd4 S8 -","4","1","","Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung","Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide","Inorganic Chemistry","2004","43","","4921","4926","10.1021/ic049744u","","","0.71073","MoKα","","0.0564","0.0397","","","0.0868","0.0942","","","","","","1.012","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311452","15.608","0.0004","8.0156","0.0002","22.5902","0.0006","90","","104.514","0.002","90","","2736.01","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H47 Ag3 F3 N6 O4.5 -","- C16 H30 Ag3 F3 N6 O4.5 -","- C64 H120 Ag12 F12 N24 O18 -","4","1","","Alexandra L. Pickering; De-Liang Long; Leroy Cronin","Coordination Networks through the Dimensions: From Discrete Clusters to 1D, 2D, and 3D Silver(I) Coordination Polymers with Rigid Aliphatic Amino Ligands","Inorganic Chemistry","2004","43","","4953","4961","10.1021/ic049786i","","","0.71073","MoKα","","0.0893","0.0518","","","0.1279","0.1433","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311453","8.0479","0.0005","22.503","0.0013","14.0842","0.0009","90","","100.999","0.003","90","","2503.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H42 Ag3 F3 N6 O6 -","- C12 H30 Ag3 F3 N6 O6 -","- C48 H120 Ag12 F12 N24 O24 -","4","1","","Alexandra L. Pickering; De-Liang Long; Leroy Cronin","Coordination Networks through the Dimensions: From Discrete Clusters to 1D, 2D, and 3D Silver(I) Coordination Polymers with Rigid Aliphatic Amino Ligands","Inorganic Chemistry","2004","43","","4953","4961","10.1021/ic049786i","","","0.71073","MoKα","","0.1489","0.0678","","","0.1438","0.1708","","","","","","1.031","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311454","6.3452","0.0008","9.8756","0.0015","8.477","0.0012","90","","106.703","0.008","90","","508.78","0.13","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H14 Ag Cl N2 O4 -","- C6 H14 Ag Cl N2 O4 -","- C12 H28 Ag2 Cl2 N4 O8 -","2","0.5","","Alexandra L. Pickering; De-Liang Long; Leroy Cronin","Coordination Networks through the Dimensions: From Discrete Clusters to 1D, 2D, and 3D Silver(I) Coordination Polymers with Rigid Aliphatic Amino Ligands","Inorganic Chemistry","2004","43","","4953","4961","10.1021/ic049786i","","","0.71073","MoKα","","0.0584","0.0351","","","0.0665","0.0721","","","","","","1.024","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311455","8.253","0.0003","7.7035","0.0003","15.8134","0.0004","90","","104.786","0.002","90","","972.08","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Ag N4 O3 -","- C6 H15 Ag N4 O3 -","- C24 H60 Ag4 N16 O12 -","4","1","","Alexandra L. Pickering; De-Liang Long; Leroy Cronin","Coordination Networks through the Dimensions: From Discrete Clusters to 1D, 2D, and 3D Silver(I) Coordination Polymers with Rigid Aliphatic Amino Ligands","Inorganic Chemistry","2004","43","","4953","4961","10.1021/ic049786i","","","0.71073","MoKα","","0.017","0.0161","","","0.0368","0.0372","","","","","","1.084","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311456","6.7103","0.0003","9.2963","0.0004","9.9428","0.0003","104.974","0.002","100.175","0.003","98.015","0.002","578.48","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H15 Ag F6 N3 P -","- C6 H15 Ag F6 N3 P -","- C12 H30 Ag2 F12 N6 P2 -","2","1","","Alexandra L. Pickering; De-Liang Long; Leroy Cronin","Coordination Networks through the Dimensions: From Discrete Clusters to 1D, 2D, and 3D Silver(I) Coordination Polymers with Rigid Aliphatic Amino Ligands","Inorganic Chemistry","2004","43","","4953","4961","10.1021/ic049786i","","","0.71073","MoKα","","0.0261","0.0223","","","0.0515","0.0527","","","","","","1.034","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311457","12.1522","0.0004","11.5983","0.0004","16.3011","0.0005","90","","90","","90","","2297.56","0.13","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Ag F3 N3 O3 S -","- C6 H13 Ag F3 N3 O3 S -","- C48 H104 Ag8 F24 N24 O24 S8 -","8","1","","Alexandra L. Pickering; De-Liang Long; Leroy Cronin","Coordination Networks through the Dimensions: From Discrete Clusters to 1D, 2D, and 3D Silver(I) Coordination Polymers with Rigid Aliphatic Amino Ligands","Inorganic Chemistry","2004","43","","4953","4961","10.1021/ic049786i","","","0.71073","MoKα","","0.0961","0.0461","","","0.0694","0.0783","","","","","","1.023","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311458","21.677","0.002","12.322","0.001","4.5259","0.0004","90","","90","","90","","1208.89","0.18","90","3","90","3","","","","","","","","3","P b a m","-P 2 2ab","55","Yb18Zn8.45Sb18","","","- Sb18 Yb18 Zn8.45 -","- Sb18 Yb18 Zn8.452 -","- Sb18 Yb18 Zn8.452 -","1","0.125","","Svilen Bobev; Joe D. Thompson; John L. Sarrao; Marilyn M. Olmstead; Håkon Hope; Susan M. Kauzlarich","Probing the Limits of the Zintl Concept: Structure and Bonding in Rare-Earth and Alkaline-Earth Zinc-Antimonides Yb9Zn4+xSb9 and Ca9Zn4.5Sb9","Inorganic Chemistry","2004","43","","5044","5052","10.1021/ic049836j","","","0.71073","MoKα","","0.0423","0.0309","","","0.0718","0.077","","","","","","1.069","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311459","21.706","0.002","12.3381","0.0013","4.5297","0.0005","90","","90","","90","","1213.1","0.2","90","3","90","3","","","","","","","","3","P b a m","-P 2 2ab","55","Yb18Zn8.76Sb18","","","- Sb18 Yb18 Zn8.76 -","- Sb18 Yb18 Zn8.76 -","- Sb18 Yb18 Zn8.76 -","1","0.125","","Svilen Bobev; Joe D. Thompson; John L. Sarrao; Marilyn M. Olmstead; Håkon Hope; Susan M. Kauzlarich","Probing the Limits of the Zintl Concept: Structure and Bonding in Rare-Earth and Alkaline-Earth Zinc-Antimonides Yb9Zn4+xSb9 and Ca9Zn4.5Sb9","Inorganic Chemistry","2004","43","","5044","5052","10.1021/ic049836j","","","0.71073","MoKα","","0.0447","0.0298","","","0.0563","0.0604","","","","","","1.024","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311460","21.7","0.002","12.34","0.0009","4.5339","0.0004","90","","90","","90","","1214.08","0.18","90","3","90","3","","","","","","","","3","P b a m","-P 2 2ab","55","Yb18Zn8.77Sb18","","","- Sb18 Yb18 Zn8.77 -","- Sb18 Yb18 Zn8.768 -","- Sb18 Yb18 Zn8.768 -","1","0.125","","Svilen Bobev; Joe D. Thompson; John L. Sarrao; Marilyn M. Olmstead; Håkon Hope; Susan M. Kauzlarich","Probing the Limits of the Zintl Concept: Structure and Bonding in Rare-Earth and Alkaline-Earth Zinc-Antimonides Yb9Zn4+xSb9 and Ca9Zn4.5Sb9","Inorganic Chemistry","2004","43","","5044","5052","10.1021/ic049836j","","","0.71073","MoKα","","0.0356","0.0275","","","0.0565","0.0591","","","","","","1.028","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311461","21.83","0.001","12.4476","0.0009","4.5414","0.0003","90","","90","","90","","1234.04","0.13","90","3","90","3","","","","","","","","3","P b a m","-P 2 2ab","55","Ca18Zn8.96Sb18","","","- Ca18 Sb18 Zn8.96 -","- Ca18 Sb18 Zn8.956 -","- Ca18 Sb18 Zn8.956 -","1","0.125","","Svilen Bobev; Joe D. Thompson; John L. Sarrao; Marilyn M. Olmstead; Håkon Hope; Susan M. Kauzlarich","Probing the Limits of the Zintl Concept: Structure and Bonding in Rare-Earth and Alkaline-Earth Zinc-Antimonides Yb9Zn4+xSb9 and Ca9Zn4.5Sb9","Inorganic Chemistry","2004","43","","5044","5052","10.1021/ic049836j","","","0.71073","MoKα","","0.0588","0.0333","","","0.0583","0.0661","","","","","","1.014","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311462","10.44","0.001","17.86","0.0016","15.912","0.0014","90","0.007","102.603","0.008","90","0.007","2895.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 O10 Ru2 -","- C24 H38 O10 Ru2 -","- C96 H152 O40 Ru8 -","4","1","","Sanjib Kar; Nripen Chanda; Shaikh M. Mobin; Anindya Datta; Francisco A. Urbanos; Vedavati G. Puranik; Reyes Jimenez-Aparicio; Goutam Kumar Lahiri","Diruthenium Complexes [{(acac)2RuIII}2(μ-OC2H5)2], [{(acac)2RuIII}2(μ-L)](ClO4)2, and [{(bpy)2RuII}2(μ-L)](ClO4)4 [L = (NC5H4)2-N-C6H4-N-(NC5H4)2, acac = Acetylacetonate, and bpy = 2,2'-Bipyridine]. Synthesis, Structure, Magnetic, Spectral, and Photophysical Aspects","Inorganic Chemistry","2004","43","","4911","4920","10.1021/ic0498900","","","0.7093","MoKα","","0.0419","0.0293","","","0.0671","0.0743","","","","","","1.058","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311463","26.665","0.002","10.199","0.0013","16.323","0.0016","90","0.009","105.2","0.007","90","0.008","4283.8","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C208 H160 N48 -","8","1","","Sanjib Kar; Nripen Chanda; Shaikh M. Mobin; Anindya Datta; Francisco A. Urbanos; Vedavati G. Puranik; Reyes Jimenez-Aparicio; Goutam Kumar Lahiri","Diruthenium Complexes [{(acac)2RuIII}2(μ-OC2H5)2], [{(acac)2RuIII}2(μ-L)](ClO4)2, and [{(bpy)2RuII}2(μ-L)](ClO4)4 [L = (NC5H4)2-N-C6H4-N-(NC5H4)2, acac = Acetylacetonate, and bpy = 2,2'-Bipyridine]. Synthesis, Structure, Magnetic, Spectral, and Photophysical Aspects","Inorganic Chemistry","2004","43","","4911","4920","10.1021/ic0498900","","","0.7093","MoKα","","0.1465","0.0636","","","0.0937","0.1175","","","","","","1.068","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311464","12.0286","0.0007","14.4427","0.0009","17.7049","0.0011","110.649","0.001","97.758","0.001","103.353","0.001","2720.1","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H44 Cl2 F4 N8 Ru2 -","- C60.4 H42 Cl0.8 F4 N8 Ru2 -","- C120.8 H84 Cl1.6 F8 N16 Ru4 -","2","1","","Karl M. Kadish; Tuan D. Phan; Li-Lun Wang; Lingamallu Giribabu; Antoine Thuriere; Julien Wellhoff; Shurong Huang; Eric Van Caemelbecke; John L. Bear","Synthesis, Structural, Spectroscopic, and Electrochemical Characterization of High Oxidation State Diruthenium Complexes Containing Four Identical Unsymmetrical Bridging Ligands","Inorganic Chemistry","2004","43","","4825","4832","10.1021/ic0499594","","","0.71073","MoKα","","0.0548","0.0457","","","0.1297","0.1489","","","","","","1.112","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311465","11.0146","0.0005","19.7799","0.0009","24.1941","0.0011","90","","101.145","0.001","90","","5171.7","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H34 F12 N8 Ru2 -","- C60 H34 F12 N8 Ru2 -","- C240 H136 F48 N32 Ru8 -","4","1","","Karl M. Kadish; Tuan D. Phan; Li-Lun Wang; Lingamallu Giribabu; Antoine Thuriere; Julien Wellhoff; Shurong Huang; Eric Van Caemelbecke; John L. Bear","Synthesis, Structural, Spectroscopic, and Electrochemical Characterization of High Oxidation State Diruthenium Complexes Containing Four Identical Unsymmetrical Bridging Ligands","Inorganic Chemistry","2004","43","","4825","4832","10.1021/ic0499594","","","0.71073","MoKα","","0.0276","0.0204","","","0.0523","0.0571","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311466","9.0577","0.0008","10.652","0.001","9.6107","0.0009","90","","101.457","0.002","90","","908.79","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Karuppasamy Kandasamy; Harkesh B. Singh; Ray J. Butcher; Jerry P. Jasinski","Synthesis, Structure, and Catalytic Properties of VIV, MnIII, MoVI, and UVI Complexes Containing Bidentate (N, O) Oxazine and Oxazoline Ligands","Inorganic Chemistry","2004","43","","5704","5713","10.1021/ic0352093","","","0.71073","MoKα","","0.1253","0.0651","","","0.152","0.1755","","","","","","1.018","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311467","11.8441","0.0006","9.2827","0.0005","19.8234","0.001","90","","93.043","0.001","90","","2176.42","0.19","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O5 V -","- C22 H24 N2 O5 V -","- C88 H96 N8 O20 V4 -","4","1","","Karuppasamy Kandasamy; Harkesh B. Singh; Ray J. Butcher; Jerry P. Jasinski","Synthesis, Structure, and Catalytic Properties of VIV, MnIII, MoVI, and UVI Complexes Containing Bidentate (N, O) Oxazine and Oxazoline Ligands","Inorganic Chemistry","2004","43","","5704","5713","10.1021/ic0352093","","","0.71073","MoKα","","0.0523","0.0359","","","0.0893","0.0941","","","","","","1.007","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311468","10.585","0.002","14.807","0.003","27.67","0.006","90","","90","","90","","4336.8","1.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C22 H24 Mo N2 O6 -","- C22 H24 Mo N2 O6 -","- C176 H192 Mo8 N16 O48 -","8","1","","Karuppasamy Kandasamy; Harkesh B. Singh; Ray J. Butcher; Jerry P. Jasinski","Synthesis, Structure, and Catalytic Properties of VIV, MnIII, MoVI, and UVI Complexes Containing Bidentate (N, O) Oxazine and Oxazoline Ligands","Inorganic Chemistry","2004","43","","5704","5713","10.1021/ic0352093","","","0.71073","MoKα","","0.1596","0.0617","","","0.1445","0.1905","","","","","","1.033","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311469","8.8894","0.0006","11.7764","0.0009","18.1078","0.0014","90","","90","","90","","1895.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O5 V -","- C20 H20 N2 O5 V -","- C80 H80 N8 O20 V4 -","4","1","","Karuppasamy Kandasamy; Harkesh B. Singh; Ray J. Butcher; Jerry P. Jasinski","Synthesis, Structure, and Catalytic Properties of VIV, MnIII, MoVI, and UVI Complexes Containing Bidentate (N, O) Oxazine and Oxazoline Ligands","Inorganic Chemistry","2004","43","","5704","5713","10.1021/ic0352093","","","0.71073","MoKα","","0.1781","0.047","","","0.0504","0.0624","","","","","","0.81","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311470","14.134","0.008","9.851","0.01","15.474","0.015","90","","107.872","0.017","90","","2051","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Mn N2 O6 -","- C22 H23 Mn N2 O6 -","- C88 H92 Mn4 N8 O24 -","4","1","","Karuppasamy Kandasamy; Harkesh B. Singh; Ray J. Butcher; Jerry P. Jasinski","Synthesis, Structure, and Catalytic Properties of VIV, MnIII, MoVI, and UVI Complexes Containing Bidentate (N, O) Oxazine and Oxazoline Ligands","Inorganic Chemistry","2004","43","","5704","5713","10.1021/ic0352093","","","0.71073","MoKα","","0.1167","0.072","","","0.1869","0.2185","","","","","","1.039","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311471","12.1713","0.0001","13.5027","0.0002","23.9281","0.0005","90","","97.4863","0.0005","90","","3898.95","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H86 Cl2 N12 O18 Zn4 -","- C76 H86 Cl2 N12 O18 Zn4 -","- C152 H172 Cl4 N24 O36 Zn8 -","2","0.5","","Håkan Carlsson; Matti Haukka; Ebbe Nordlander","Structural and Functional Models of the Active Site of Zinc Phosphotriesterase","Inorganic Chemistry","2004","43","","5681","5687","10.1021/ic0354522","","","0.71073","MoKα","","0.0667","0.044","","","0.0985","0.109","","","","","","1.068","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311472","7.6984","0.0013","22.015","0.004","30.754","0.005","90","","90","","90","","5212.2","1.5","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(PaNPy3)Fe(NO)](ClO4)2^.^CH3CN","","","- C22 H23 Cl2 Fe N7 O10 -","- C22 H23 Cl2 Fe N7 O10 -","- C176 H184 Cl16 Fe8 N56 O80 -","8","1","","Raman K. Afshar; Apurba K. Patra; Marilyn M. Olmstead; Pradip K. Mascharak","Syntheses, Structures, and Reactivities of {Fe-NO}6 Nitrosyls Derived from Polypyridine-Carboxamide Ligands: Photoactive NO-Donors and Reagents for S-Nitrosylation of Alkyl Thiols","Inorganic Chemistry","2004","43","","5736","5743","10.1021/ic040057c","","","0.71073","MoKα","","0.1813","0.0518","","","0.1031","0.139","","","","","","0.796","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311473","14.665","0.005","18.429","0.006","21.46","0.007","90","","93.221","0.007","90","","5791","3","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Fe(PaNPy3)(NO)](ClO4)2.1.75CH3CN","","","- C24.5 H27.25 Cl2 Fe N7.75 O10 -","- C24.5 H22 Cl2 Fe N7.75 O10 -","- C196 H176 Cl16 Fe8 N62 O80 -","8","1","","Raman K. Afshar; Apurba K. Patra; Marilyn M. Olmstead; Pradip K. Mascharak","Syntheses, Structures, and Reactivities of {Fe-NO}6 Nitrosyls Derived from Polypyridine-Carboxamide Ligands: Photoactive NO-Donors and Reagents for S-Nitrosylation of Alkyl Thiols","Inorganic Chemistry","2004","43","","5736","5743","10.1021/ic040057c","","","0.71073","MoKα","","0.0816","0.0683","","","0.1917","0.1998","","","","","","1.118","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311474","15.381","0.003","10.982","0.002","25.167","0.005","90","","102.69","0.03","90","","4147.2","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gadolinium TREN-1,2-HOPO Complex","(tris((1-hydroxy-6-oxo-1,6-didehydro-pyridine-4-carboxamido)eth yl)amine)-gadolinium(iii) dimethylformamide solvate","","- C32.5 H45.5 Gd N8.5 O12.5 -","- C32.5 H43.5 Gd N8.5 O12.5 -","- C130 H174 Gd4 N34 O50 -","4","1","","Jide Xu; David G. Churchill; Mauro Botta; Kenneth N. Raymond","Gadolinium(III) 1,2-Hydroxypyridonate-Based Complexes: Toward MRI Contrast Agents of High Relaxivity1","Inorganic Chemistry","2004","43","","5492","5494","10.1021/ic049028s","","","0.71073","MoKα","","0.0555","0.045","","","0.0966","0.1019","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311475","7.766","0.0007","13.6581","0.0012","9.408","0.0008","90","","96.365","0.002","90","","991.74","0.15","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H24 N3 Nd O12 -","- C12 H24 N3 Nd O12 -","- C24 H48 N6 Nd2 O24 -","2","1","","William J. Evans; Dimitrios G. Giarikos; Penny S. Workman; Joseph W. Ziller","Utility of Anhydrous Neodymium Nitrate as a Precursor to Extended Organoneodymium Nitrate Networks","Inorganic Chemistry","2004","43","","5754","5760","10.1021/ic049187b","","","0.71073","MoKα","","0.0244","0.0234","","","0.0665","0.073","","","","","","1.108","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311476","10.3843","0.0011","15.0674","0.0012","11.3843","0.0011","90","","92.467","0.008","90","","1779.6","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 N3 Nd O13 -","- C8 H20 N3 Nd O13 -","- C32 H80 N12 Nd4 O52 -","4","1","","William J. Evans; Dimitrios G. Giarikos; Penny S. Workman; Joseph W. Ziller","Utility of Anhydrous Neodymium Nitrate as a Precursor to Extended Organoneodymium Nitrate Networks","Inorganic Chemistry","2004","43","","5754","5760","10.1021/ic049187b","","","0.71073","MoKα","","0.0321","0.0255","","","0.0599","0.0627","","","","","","1.081","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311477","9.4276","0.0008","11.8822","0.001","19.6454","0.0017","98.566","0.001","96.469","0.001","101.897","0.001","2105.9","0.3","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H126 N6 Na2 Nd2 O30 -","- C68 H126 N6 Na2 Nd2 O30 -","- C68 H126 N6 Na2 Nd2 O30 -","1","0.5","","William J. Evans; Dimitrios G. Giarikos; Penny S. Workman; Joseph W. Ziller","Utility of Anhydrous Neodymium Nitrate as a Precursor to Extended Organoneodymium Nitrate Networks","Inorganic Chemistry","2004","43","","5754","5760","10.1021/ic049187b","","","0.71073","MoKα","","0.0403","0.0336","","","0.0839","0.0877","","","","","","1.069","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311478","10.68","0.003","15.024","0.004","11.683","0.003","90","","110.248","0.004","90","","1758.8","0.8","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H47 K N3 Nd O16 -","- C26 H47 K N3 Nd O16 -","- C52 H94 K2 N6 Nd2 O32 -","2","1","","William J. Evans; Dimitrios G. Giarikos; Penny S. Workman; Joseph W. Ziller","Utility of Anhydrous Neodymium Nitrate as a Precursor to Extended Organoneodymium Nitrate Networks","Inorganic Chemistry","2004","43","","5754","5760","10.1021/ic049187b","","","0.71073","MoKα","","0.0716","0.0685","","","0.1794","0.1835","","","","","","1.09","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311479","9.9493","0.0006","11.3426","0.0007","14.0833","0.0008","68.769","0.001","85.817","0.001","84.939","0.001","1474.23","0.15","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H39 N3 Na Nd O12 -","- C22 H39 N3 Na Nd O12 -","- C44 H78 N6 Na2 Nd2 O24 -","2","1","","William J. Evans; Dimitrios G. Giarikos; Penny S. Workman; Joseph W. Ziller","Utility of Anhydrous Neodymium Nitrate as a Precursor to Extended Organoneodymium Nitrate Networks","Inorganic Chemistry","2004","43","","5754","5760","10.1021/ic049187b","","","0.71073","MoKα","","0.0268","0.024","","","0.0589","0.0607","","","","","","1.073","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311480","7.69","0.0004","11.4268","0.0005","12.0539","0.0006","73.421","0.001","81.166","0.001","76.892","0.001","984.23","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 La N O15 P S -","- C12 H13 La N O15 P S -","- C24 H26 La2 N2 O30 P2 S2 -","2","1","","Jun-Ling Song; Chong Lei; Jiang-Gao Mao","Syntheses, Crystal Structures, and Luminescent Properties of Novel Layered Lanthanide Sulfonate-Phosphonates","Inorganic Chemistry","2004","43","","5630","5634","10.1021/ic049376u","","","0.71073","MoKα","","0.0371","0.0329","","","0.0735","0.077","","","","","","1.123","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4311481","7.6669","0.0001","11.4004","0.0002","12.012","","73.339","0.001","81.261","0.001","77.06","0.001","975.96","0.02","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 N O15 P Pr S -","- C12 H13 N O15 P Pr S -","- C24 H26 N2 O30 P2 Pr2 S2 -","2","1","","Jun-Ling Song; Chong Lei; Jiang-Gao Mao","Syntheses, Crystal Structures, and Luminescent Properties of Novel Layered Lanthanide Sulfonate-Phosphonates","Inorganic Chemistry","2004","43","","5630","5634","10.1021/ic049376u","","","0.71073","MoKα","","0.0652","0.0565","","","0.1335","0.1421","","","","","","1.114","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4311482","7.658","0.0007","11.3929","0.0011","11.991","0.0011","73.251","0.002","81.241","0.002","77.166","0.001","972.39","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 N Nd O15 P S -","- C12 H13 N Nd O15 P S -","- C24 H26 N2 Nd2 O30 P2 S2 -","2","1","","Jun-Ling Song; Chong Lei; Jiang-Gao Mao","Syntheses, Crystal Structures, and Luminescent Properties of Novel Layered Lanthanide Sulfonate-Phosphonates","Inorganic Chemistry","2004","43","","5630","5634","10.1021/ic049376u","","","0.71073","MoKα","","0.069","0.0544","","","0.1264","0.138","","","","","","1.13","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4311483","7.6465","0.0003","11.3948","0.0003","11.9596","0.0003","73.274","0.001","81.34","0.001","77.814","0.001","970.97","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 Gd N O15 P S -","- C12 H13 Gd N O15 P S -","- C24 H26 Gd2 N2 O30 P2 S2 -","2","1","","Jun-Ling Song; Chong Lei; Jiang-Gao Mao","Syntheses, Crystal Structures, and Luminescent Properties of Novel Layered Lanthanide Sulfonate-Phosphonates","Inorganic Chemistry","2004","43","","5630","5634","10.1021/ic049376u","","","0.71073","MoKα","","0.0435","0.041","","","0.107","0.1107","","","","","","1.084","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4311484","11.8387","0.0009","22.2748","0.0016","14.8987","0.0011","90","","94.898","0.002","90","","3914.5","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H108 Fe6 N2 O26 -","- C64 H108 Fe6 N2 O26 -","- C128 H216 Fe12 N4 O52 -","2","0.5","","Cristina Cañada-Vilalta; Ted A. O'Brien; Euan K. Brechin; Maren Pink; Ernest R. Davidson; George Christou","Large Spin Differences in Structurally Related Fe6 Molecular Clusters and Their Magnetostructural Explanation","Inorganic Chemistry","2004","43","","5505","5521","10.1021/ic049413h","","","0.71073","MoKα","","0.1133","0.0534","","","0.1132","0.1429","","","","","","1","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311485","12.5022","0.0005","25.0515","0.001","13.6514","0.0006","90","","113.541","0.001","90","","3919.8","0.3","122","2","122","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H68 Fe6 N2 O26 -","- C84 H68 Fe6 N2 O26 -","- C168 H136 Fe12 N4 O52 -","2","0.5","","Cristina Cañada-Vilalta; Ted A. O'Brien; Euan K. Brechin; Maren Pink; Ernest R. Davidson; George Christou","Large Spin Differences in Structurally Related Fe6 Molecular Clusters and Their Magnetostructural Explanation","Inorganic Chemistry","2004","43","","5505","5521","10.1021/ic049413h","","","0.71073","MoKα","","0.0741","0.0463","","","0.1082","0.1212","","","","","","1.06","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311486","27.4828","0.0013","13.918","0.0006","46.913","0.0019","90","","93.934","0.001","90","","17902.2","1.4","115","2","115","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73 H114 Fe6 N4 O25 -","- C72.972 H114 Fe6 N3.996 O25 -","- C583.776 H912 Fe48 N31.968 O200 -","8","1","","Cristina Cañada-Vilalta; Ted A. O'Brien; Euan K. Brechin; Maren Pink; Ernest R. Davidson; George Christou","Large Spin Differences in Structurally Related Fe6 Molecular Clusters and Their Magnetostructural Explanation","Inorganic Chemistry","2004","43","","5505","5521","10.1021/ic049413h","","","0.71073","MoKα","","0.0691","0.0474","","","0.1024","0.1109","","","","","","1.047","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311487","12.9519","0.0006","14.2296","0.0007","26.4108","0.0012","89.109","0.001","83.24","0.001","83.073","0.001","4798.4","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C96.18 H86.34 Fe6 N7 O25 -","- C96.189 H86.356 Fe6 N6.997 O24.999 -","- C192.378 H172.712 Fe12 N13.994 O49.998 -","2","1","","Cristina Cañada-Vilalta; Ted A. O'Brien; Euan K. Brechin; Maren Pink; Ernest R. Davidson; George Christou","Large Spin Differences in Structurally Related Fe6 Molecular Clusters and Their Magnetostructural Explanation","Inorganic Chemistry","2004","43","","5505","5521","10.1021/ic049413h","","","0.71073","MoKα","","0.0907","0.0559","","","0.1393","0.1584","","","","","","1.053","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311488","7.908","0.0016","10.94","0.002","14.207","0.003","80.41","0.03","84.22","0.03","72.12","0.03","1151.8","0.5","100","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H25 N13 O9 Pt -","- C13 H23 N13 O9 Pt -","- C26 H46 N26 O18 Pt2 -","2","1","","Michael Roitzsch; Bernhard Lippert","Feasibility of a Two-Metal, Four-Purine Nucleobase Quartet Motif","Inorganic Chemistry","2004","43","","5483","5485","10.1021/ic0494152","","","0.71073","MoKα","","","0.0278","","","","0.0652","","","","","","1.172","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311489","12.796","0.006","19.069","0.009","20.225","0.009","90","","94.706","0.002","90","","4918","4","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 Cl4 Mn N8 Ni O11 -","- C46 H41 Cl4 Mn N8 Ni O11 -","- C184 H164 Cl16 Mn4 N32 Ni4 O44 -","4","1","","Hitoshi Miyasaka; Tomohiro Nezu; Kunihisa Sugimoto; Ken-ichi Sugiura; Masahiro Yamashita; Rodolphe Clérac","Linear NiII-MnIII2-NiII Tetramers: An Oligomeric Component of the MnIII2NiII Single-Chain Magnets","Inorganic Chemistry","2004","43","","5486","5488","10.1021/ic049457q","","","0.7107","MoKα","","","0.053","","","","0.154","","","","","","1.005","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4311490","12.8276","0.0003","19.095","0.0004","20.3129","0.0005","90","","94.1396","0.0012","90","","4962.5","0.2","123.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 Br2 Cl2 Mn N8 Ni O11 -","- C46 H41 Br2 Cl2 Mn N8 Ni O11 -","- C184 H164 Br8 Cl8 Mn4 N32 Ni4 O44 -","4","1","","Hitoshi Miyasaka; Tomohiro Nezu; Kunihisa Sugimoto; Ken-ichi Sugiura; Masahiro Yamashita; Rodolphe Clérac","Linear NiII-MnIII2-NiII Tetramers: An Oligomeric Component of the MnIII2NiII Single-Chain Magnets","Inorganic Chemistry","2004","43","","5486","5488","10.1021/ic049457q","","","0.7107","MoKα","","","0.05","","","","0.15","","","","","","1","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4311491","13.206","0.005","18.707","0.008","20.103","0.008","90","","96.578","0.006","90","","4934","3","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H47 Cl2 Mn N8 Ni O13 -","- C48 H47 Cl2 Mn N8 Ni O13 -","- C192 H188 Cl8 Mn4 N32 Ni4 O52 -","4","1","","Hitoshi Miyasaka; Tomohiro Nezu; Kunihisa Sugimoto; Ken-ichi Sugiura; Masahiro Yamashita; Rodolphe Clérac","Linear NiII-MnIII2-NiII Tetramers: An Oligomeric Component of the MnIII2NiII Single-Chain Magnets","Inorganic Chemistry","2004","43","","5486","5488","10.1021/ic049457q","","","0.7107","MoKα","","","0.056","","","","0.108","","","","","","1.015","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4311492","5.9107","0.0005","7.8682","0.0006","9.4134","0.0006","75.639","0.006","73.824","0.003","71.639","0.003","392.83","0.05","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- H22 O12 S4 Sr2 -","- O12 S4 Sr2 -","- O12 S4 Sr2 -","1","0.5","","Hiroshi Fukuoka; Rimiko Suga; Kenji Komaguchi; Shoji Yamanaka; Masaru Shiotani","New Strontium Polysulfides, SrS3, and Sr2(OH)2S4.10H2O, Obtained by the High-pressure Treatment of a Sr-S Mixture","Inorganic Chemistry","2004","43","","5780","5784","10.1021/ic0494612","","","0.7107","MoKαgraphitemonochromated","","","0.032","","","","0.043","","","","","","1.676","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4311493","9.444","0.003","9.162","0.003","14.979","0.002","90","","94.724","0.005","90","","1291.7","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O5 Zn -","- C12 H10 N2 O5 Zn -","- C48 H40 N8 O20 Zn4 -","4","1","","Sujit K. Ghosh; G. Savitha; Parimal K. Bharadwaj","Reactivity of Pyridine-2,4,6-tricarboxylic Acid toward Zn(II) Salts under Different Reaction Conditions","Inorganic Chemistry","2004","43","","5495","5497","10.1021/ic049490c","","","0.71069","MoKα","","0.0499","0.042","","","0.1146","0.123","","","","","","0.848","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311494","9.444","0.002","8.827","0.002","15.397","0.003","90","","91.806","0.005","90","","1282.9","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O5 Zn -","- C12 H10 N2 O5 Zn -","- C48 H40 N8 O20 Zn4 -","4","1","","Sujit K. Ghosh; G. Savitha; Parimal K. Bharadwaj","Reactivity of Pyridine-2,4,6-tricarboxylic Acid toward Zn(II) Salts under Different Reaction Conditions","Inorganic Chemistry","2004","43","","5495","5497","10.1021/ic049490c","","","0.71069","MoKα","","0.0615","0.0518","","","0.129","0.1342","","","","","","1.068","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311495","7.091","0.002","18.493","0.003","10.839","0.002","90","","103.879","0.005","90","","1379.9","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N O12 Zn1.5 -","- C8 H14 N O12 Zn1.5 -","- C32 H56 N4 O48 Zn6 -","4","1","","Sujit K. Ghosh; G. Savitha; Parimal K. Bharadwaj","Reactivity of Pyridine-2,4,6-tricarboxylic Acid toward Zn(II) Salts under Different Reaction Conditions","Inorganic Chemistry","2004","43","","5495","5497","10.1021/ic049490c","","","0.71069","MoKα","","0.0398","0.0317","","","0.0718","0.0759","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311496","17.1581","0.0002","17.1581","0.0002","10.4309","0.0001","90","","90","","120","","2659.44","0.05","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C24 H35 N3 O31 Zn3 -","- C24 H6 N3 O31 Zn3 -","- C72 H18 N9 O93 Zn9 -","3","0.333333","","Sujit K. Ghosh; G. Savitha; Parimal K. Bharadwaj","Reactivity of Pyridine-2,4,6-tricarboxylic Acid toward Zn(II) Salts under Different Reaction Conditions","Inorganic Chemistry","2004","43","","5495","5497","10.1021/ic049490c","","","0.71073","MoKα","","0.1114","0.096","","","0.2529","0.2735","","","","","","1.084","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4311497","8.3392","0.0007","5.2216","0.0005","7.5264","0.0006","96.547","0.01","78.101","0.006","104.714","0.013","309.51","0.05","293","2","293","2","","","","","","","synthesized","4","P -1","-P 1","2","Rhodium acetate","catena(tetrakis(mu-acetato-O,O')-dirhodium(II,II))","","- C8 H12 O8 Rh2 -","- C8 O8 Rh2 -","- C8 O8 Rh2 -","1","0.5","","Evgeny V. Dikarev; Roman V. Shpanchenko; Kristian W. Andreini; Eric Block; Jin Jin; Marina A. Petrukhina","Powder Diffraction Study of a Coordination Polymer Comprised of Rigid Building Blocks: [Rh2(O2CCH3)4.μ2-Se2C5H8-Se,Se']\ιnfty","Inorganic Chemistry","2004","43","","5558","5563","10.1021/ic049497u","powder diffraction","x-ray","1.5406","Cu","","","","","","","","0.03064","","1.41","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311498","8.1357","0.0004","8.7736","0.0004","15.2183","0.0008","77.417","0.003","88.8369","0.0026","69.276","0.004","989.66","0.09","293","2","293","2","","","","","","","synthesized","5","P -1","-P 1","2","","catena(mu-2.6-diselenaspiro[3.3]heptane-Se,Se') tetrakis(mu-acetato-O,O')-dirhodium(II,II))","","- C13 H20 O8 Rh2 Se2 -","- C13 O8 Rh2 Se2 -","- C26 O16 Rh4 Se4 -","2","1","","Evgeny V. Dikarev; Roman V. Shpanchenko; Kristian W. Andreini; Eric Block; Jin Jin; Marina A. Petrukhina","Powder Diffraction Study of a Coordination Polymer Comprised of Rigid Building Blocks: [Rh2(O2CCH3)4.μ2-Se2C5H8-Se,Se']\ιnfty","Inorganic Chemistry","2004","43","","5558","5563","10.1021/ic049497u","powder diffraction","x-ray","1.5406","Cu","","","","","","","","0.04719","","2.44","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311499","5.9123","0.0004","19.64","0.0013","5.8877","0.0004","90","","108.55","0.001","90","","648.15","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","diselenadispiroheptane","2,6-diselenaspiro[3.3]heptane","","- C5 H8 Se2 -","- C5 H8 Se2 -","- C20 H32 Se8 -","4","1","","Evgeny V. Dikarev; Roman V. Shpanchenko; Kristian W. Andreini; Eric Block; Jin Jin; Marina A. Petrukhina","Powder Diffraction Study of a Coordination Polymer Comprised of Rigid Building Blocks: [Rh2(O2CCH3)4.μ2-Se2C5H8-Se,Se']\ιnfty","Inorganic Chemistry","2004","43","","5558","5563","10.1021/ic049497u","","","0.71073","MoKα","","0.0305","0.0292","","","0.0829","0.0839","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311500","8.015","0.0003","13.612","0.0005","18.662","0.0006","90","","90","","90","","2036.03","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Cl Cu N5 O7 -","- C17 H26 Cl Cu N5 O7 -","- C68 H104 Cl4 Cu4 N20 O28 -","4","1","","Michel Meyer; Laurent Frémond; Enrique Espinosa; Roger Guilard; Zhongping Ou; Karl M. Kadish","Synthesis, Characterization, and X-ray Crystal Structures of Cyclam Derivatives. 5. Copper(II) Binding Studies of a Pyridine-Strapped 5,12-Dioxocyclam-Based Macrobicycle1","Inorganic Chemistry","2004","43","","5572","5587","10.1021/ic049518k","","","0.7107","MoKα","","0.0543","0.0413","","","0.0927","0.0992","","","","","","1.023","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311501","20.021","0.0008","12.156","0.0005","16.521","0.0006","90","","91.303","0.002","90","","4019.8","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H31 Cu N5 O6 -","- C17 H31 Cu N5 O6 -","- C136 H248 Cu8 N40 O48 -","8","1","","Michel Meyer; Laurent Frémond; Enrique Espinosa; Roger Guilard; Zhongping Ou; Karl M. Kadish","Synthesis, Characterization, and X-ray Crystal Structures of Cyclam Derivatives. 5. Copper(II) Binding Studies of a Pyridine-Strapped 5,12-Dioxocyclam-Based Macrobicycle1","Inorganic Chemistry","2004","43","","5572","5587","10.1021/ic049518k","","","0.7107","MoKα","","0.0884","0.0537","","","0.1081","0.1247","","","","","","1.081","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311502","12.3056","0.0013","21.741","0.002","11.8964","0.0012","90","","90","","90","","3182.7","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H40 I5 O5 Yb -","- C20 H40 I5 O5 Yb -","- C80 H160 I20 O20 Yb4 -","4","0.5","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Heterometallic Lanthanide Group 12 Metal Iodides","Inorganic Chemistry","2004","43","","5659","5664","10.1021/ic049560f","","","0.71073","MoKα","","0.0611","0.0368","","","0.0748","0.0811","","","","","","1.003","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311503","25.9496","0.0012","15.8012","0.0007","16.0894","0.0008","90","","106.302","0.001","90","","6332","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H55 I6 N11 Yb2 -","- C55 H55 I6 N11 Yb2 -","- C220 H220 I24 N44 Yb8 -","4","1","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Heterometallic Lanthanide Group 12 Metal Iodides","Inorganic Chemistry","2004","43","","5659","5664","10.1021/ic049560f","","","0.71073","MoKα","","0.0466","0.0328","","","0.0567","0.0597","","","","","","1.031","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311504","8.5245","0.0007","9.0424","0.0007","24.515","0.002","90","","96.641","0.001","90","","1877","0.3","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C24 H48 I5 Nd O6 Zn -","- C24 H48 I5 Nd O6 Zn -","- C48 H96 I10 Nd2 O12 Zn2 -","2","1","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Heterometallic Lanthanide Group 12 Metal Iodides","Inorganic Chemistry","2004","43","","5659","5664","10.1021/ic049560f","","","0.71073","MoKα","","0.0634","0.0499","","","0.0968","0.1019","","","","","","1.022","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311505","12.5824","0.0009","13.0371","0.0009","20.4108","0.0014","90","","90","","90","","3348.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 Hg I5 Nd O5 -","- C20 H40 Hg I5 Nd O5 -","- C80 H160 Hg4 I20 Nd4 O20 -","4","1","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Heterometallic Lanthanide Group 12 Metal Iodides","Inorganic Chemistry","2004","43","","5659","5664","10.1021/ic049560f","","","0.71073","MoKα","","0.0384","0.0323","","","0.0635","0.0655","","","","","","0.966","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311506","7.277","0.002","15.929","0.003","8.263","0.002","90","","106.06","0.03","90","","920.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","catena-[aqua(mu-oxalato)purinecopper(II)]","","- C7 H6 Cu N4 O5 -","- C7 H6 Cu N4 O5 -","- C28 H24 Cu4 N16 O20 -","4","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","1.54178","CuKα","","0.0412","0.0411","","","0.1178","0.1179","","","","","","1.118","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311507","6.9489","0.0004","16.1481","0.0011","8.3511","0.0005","90","","105.956","0.006","90","","900.99","0.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","catena-[aqua(mu-oxalato)purinecobalt(II)]","","- C7 H6 Co N4 O5 -","- C7 H6 Co N4 O5 -","- C28 H24 Co4 N16 O20 -","4","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","0.71073","MoKα","","0.036","0.0353","","","0.0871","0.0876","","","","","","1.151","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311508","6.988","0.001","16.143","0.002","8.334","0.001","90","","106.1","0.01","90","","903.3","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","catena-[aqua(mu-oxalato)purinezinc(II)]","","- C7 H6 N4 O5 Zn -","- C7 H6 N4 O5 Zn -","- C28 H24 N16 O20 Zn4 -","4","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","0.71073","MoKα","","0.0677","0.0373","","","0.0764","0.0836","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311509","6.897","0.001","16.457","0.002","8.308","0.001","90","","106.14","0.01","90","","905.8","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","catena-aqua(mu-oxalato)purinecobalt(II)","","- C7 H6.24 Co N4.24 O5 -","- C7 H6.24 Co N4.24 O5 -","- C28 H24.96 Co4 N16.96 O20 -","4","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","0.71073","MoKα","","0.0813","0.0433","","","0.073","0.0886","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311510","7.471","0.001","8.21","0.001","19.099","0.002","82.34","0.01","80.23","0.01","74.62","0.01","1108.3","0.2","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-[aqua(mu-oxalato)adeninecobalt(II)-adenine-water (1/2/1)]","","- C17 H19 Co N15 O6 -","- C17 H19 Co N15 O6 -","- C34 H38 Co2 N30 O12 -","2","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","0.71073","MoKα","","0.0772","0.0476","","","0.0735","0.0872","","","","","","0.891","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311511","7.487","0.002","8.226","0.002","19.15","0.002","82.06","0.02","80.16","0.02","74.4","0.02","1114","0.4","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-aqua(mu-oxalato)adeninezinc(II)-adenine-water (1/2/1)","","- C17 H19 N15 O6 Zn -","- C17 H19 N15 O6 Zn -","- C34 H38 N30 O12 Zn2 -","2","1","","Juan P. García-Terán; Oscar Castillo; Antonio Luque; Urko García-Couceiro; Pascual Román; Francesc Lloret","One-Dimensional Oxalato-Bridged Cu(II), Co(II), and Zn(II) Complexes with Purine and Adenine as Terminal Ligands","Inorganic Chemistry","2004","43","","5761","5770","10.1021/ic049569h","","x-ray","0.71073","MoKα","","0.0777","0.0425","","","0.058","0.0711","","","","","","0.582","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311512","12.7652","0.0007","11.3795","0.0007","14.6419","0.0008","90","","95.728","0.004","90","","2116.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 F P Rh -","- C26 H27 F P Rh -","- C104 H108 F4 P4 Rh4 -","4","1","","José Vicente; Juan Gil-Rubio; Delia Bautista; Angelo Sironi; Norberto Masciocchi","Synthesis and Reactivity of Fluoro Complexes: Part 2.1 Rhodium(I) Fluoro Complexes with Alkene and Phosphine Ligands. Synthesis of the First Isolated Rhodium(I) Bifluoride Complexes. Structure of [Rh3(μ3-OH)2(COD)3](HF2) by X-ray Powder Diffraction","Inorganic Chemistry","2004","43","","5665","5675","10.1021/ic049585e","","","0.71073","MoKα","","0.0244","0.0205","","0.0498","0.049","","","","1.057","1.106","1.106","","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311513","13.8193","0.0014","11.0201","0.0014","15.018","0.002","90","","101.083","0.005","90","","2244.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 F2 P Rh -","- C26 H27 F2 P Rh -","- C104 H108 F8 P4 Rh4 -","4","1","","José Vicente; Juan Gil-Rubio; Delia Bautista; Angelo Sironi; Norberto Masciocchi","Synthesis and Reactivity of Fluoro Complexes: Part 2.1 Rhodium(I) Fluoro Complexes with Alkene and Phosphine Ligands. Synthesis of the First Isolated Rhodium(I) Bifluoride Complexes. Structure of [Rh3(μ3-OH)2(COD)3](HF2) by X-ray Powder Diffraction","Inorganic Chemistry","2004","43","","5665","5675","10.1021/ic049585e","","","0.71073","MoKα","","0.0553","0.0339","","0.0836","0.0708","","","","1.009","1.083","1.083","","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311514","10.8208","0.0011","14.0952","0.0015","19.307","0.002","108.702","0.002","98.098","0.002","100.592","0.002","2677.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H48 O15 P4 Re2 U -","- C51 H48 O15 P4 Re2 U -","- C102 H96 O30 P8 Re4 U2 -","2","1","","Andrew D. Sutton; Gordon H. John; Mark J. Sarsfield; Joanna C. Renshaw; Iain May; Leigh R. Martin; Andrew J. Selvage; David Collison; Madeleine Helliwell","Spectroscopic Evidence for the Direct Coordination of the Pertechnetate Anion to the Uranyl Cation in [UO2(TcO4)(DPPMO2)2]+","Inorganic Chemistry","2004","43","","5480","5482","10.1021/ic049588r","","","0.71073","MoKα","","0.0506","0.0453","","","0.1132","0.116","","","","","","1.107","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311515","14.5893","0.0016","19.282","0.002","19.991","0.002","73.868","0.002","87.715","0.002","81.923","0.002","5348.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50.75 H50 Cl2 O8.25 P4 U -","- C50.75 H47 Cl2 O8.25 P4 U -","- C203 H188 Cl8 O33 P16 U4 -","4","2","","Andrew D. Sutton; Gordon H. John; Mark J. Sarsfield; Joanna C. Renshaw; Iain May; Leigh R. Martin; Andrew J. Selvage; David Collison; Madeleine Helliwell","Spectroscopic Evidence for the Direct Coordination of the Pertechnetate Anion to the Uranyl Cation in [UO2(TcO4)(DPPMO2)2]+","Inorganic Chemistry","2004","43","","5480","5482","10.1021/ic049588r","","","0.71073","MoKα","","0.0721","0.0518","","","0.125","0.1356","","","","","","1.024","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311516","11.9634","0.0007","12.356","0.001","20.9802","0.0017","90","","102.832","0.005","90","","3023.8","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3","","","- C30 H28 Au B F4 N8 -","- C30 H28 Au B F4 N8 -","- C120 H112 Au4 B4 F16 N32 -","4","0.5","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.0809","0.0363","","","0.0676","0.0788","","","","","","1.011","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311517","16.2527","0.0016","15.313","0.002","19.189","0.002","90","","92.142","0.009","90","","4772.4","0.9","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","4.2CH3CN","","","- C38 H31 Ag2 Au B3 F12 N12 -","- C38 H31 Ag2 Au B3 F12 N12 -","- C152 H124 Ag8 Au4 B12 F48 N48 -","4","1","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.1421","0.0685","","","0.1173","0.1431","","","","","","1.037","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311518","33.39","0.004","7.7862","0.0009","22.606","0.003","90","","112.408","0.01","90","","5433.4","1.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","5","","","- C26 H19 Ag B F4 N8 O0 P0 -","- C26 H19 Ag B F4 N8 -","- C208 H152 Ag8 B8 F32 N64 -","8","1","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.0687","0.0596","","","0.1814","0.1963","","","","","","1.131","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311519","14.6707","0.0007","13.638","0.0007","14.9697","0.0007","90","","118.811","0.001","90","","2624.4","0.2","100","2","373","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","6.2H2O","","","- C26 H20 Au B F4 N8 O2 -","- C26 H20 Au B F4 N8 O2 -","- C104 H80 Au4 B4 F16 N32 O8 -","4","1","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.0321","0.0275","","","0.0696","0.0712","","","","","","1.05","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311520","13.185","0.0003","13.185","0.0003","32.5591","0.0012","90","","90","","120","","4901.9","0.2","100","2","100","2","","","","","","","","7","P 65","P 65","170","7.CH3CN(left_hand)","","","- C30 H26 Ag Au B2 F8 N10 -","- C30 H26 Ag Au B2 F8 N10 -","- C180 H156 Ag6 Au6 B12 F48 N60 -","6","1","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.0284","0.0248","","","0.0503","0.0508","","","","","","1.001","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311521","13.1912","0.0003","13.1912","0.0003","32.5625","0.0013","90","","90","","120","","4907","0.3","100","2","100","2","","","","","","","","7","P 61","P 61","169","7.CH3CN(right_hand)","","","- C30 H23 Ag Au B2 F8 N10 -","- C30 H23 Ag Au B2 F8 N10 -","- C180 H138 Ag6 Au6 B12 F48 N60 -","6","1","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.0305","0.0272","","","0.0597","0.0606","","","","","","1.073","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311522","11.224","0.007","11.666","0.002","18.096","0.004","88.07","0.02","82.92","0.03","68.24","0.04","2183.7","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","8","","","- C42 H40 B2 F8 Hg N8 -","- C42 H40 B2 F8 Hg N8 -","- C84 H80 B4 F16 Hg2 N16 -","2","1","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.067","0.0439","","","0.0942","0.1035","","","","","","1.008","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311523","13.489","0.003","28.657","0.006","15.063","0.002","90","","116.552","0.008","90","","5208.5","1.8","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","9.C6H6.CH3CN","","","- C54 H45 F12 Hg N9 P2 -","- C54 H45 F12 Hg N9 P2 -","- C216 H180 F48 Hg4 N36 P8 -","4","1","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.0399","0.027","","","0.0568","0.0593","","","","","","1.035","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311524","15.335","0.002","15.535","0.002","15.106","0.002","90","","101.162","0.002","90","","3530.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cu Mo3 N2 O12 -","- C10 H12 Cu Mo3 N2 O12 -","- C80 H96 Cu8 Mo24 N16 O96 -","8","1","","Zuping Kong; Linhong Weng; Dejun Tan; Heyong He; Biao Zhang; Jilie Kong; Bin Yue","Hydrothermal Synthesis, Crystal Structure, Conductivity, and Thermal Decomposition of [Cu(4,4'-bipy)(H2O)(Mo3O10)].H2O","Inorganic Chemistry","2004","43","","5676","5680","10.1021/ic049608p","","","0.71073","MoKα","","0.0325","0.0249","","","0.0487","0.0503","","","","","","0.895","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311525","7.4949","0.0009","24.975","0.003","9.141","0.0011","90","","90","","90","","1711.1","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H10 Cu2 N4 O10 Re -","- C10 H10 Cu2 N4 O10 Re -","- C40 H40 Cu8 N16 O40 Re4 -","4","0.5","","Junhua Luo; Ben Alexander; Timothy R. Wagner; Paul A. Maggard","Synthesis and Characterization of ReO4-Containing Microporous and Open Framework Structures","Inorganic Chemistry","2004","43","","5537","5542","10.1021/ic049609h","","","0.71073","MoKα","","0.0349","0.0264","","","0.0589","0.0623","","","","","","1.023","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311526","8.5878","0.0009","12.9197","0.0013","9.7408","0.001","90","","92.83","0.002","90","","1079.44","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Cu N2 O8 Re -","- C5 H7 Cu N2 O8 Re -","- C20 H28 Cu4 N8 O32 Re4 -","4","1","","Junhua Luo; Ben Alexander; Timothy R. Wagner; Paul A. Maggard","Synthesis and Characterization of ReO4-Containing Microporous and Open Framework Structures","Inorganic Chemistry","2004","43","","5537","5542","10.1021/ic049609h","","","0.71073","MoKα","","0.021","0.0204","","","0.0525","0.053","","","","","","1.039","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311527","11.104","0.002","14.5","0.001","14.272","0.001","90","","100.152","0.01","90","","2261.9","0.5","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl Cu N10 O4 -","- C18 H21 Cl Cu N10 O4 -","- C72 H84 Cl4 Cu4 N40 O16 -","4","1","","Akira Wada; Yasutaka Honda; Syuhei Yamaguchi; Shigenori Nagatomo; Teizo Kitagawa; Koichiro Jitsukawa; Hideki Masuda","Steric and Hydrogen-Bonding Effects on the Stability of Copper Complexes with Small Molecules","Inorganic Chemistry","2004","43","","5725","5735","10.1021/ic0496572","","","1.5418","CuKα","","","0.0676","","","","0.0975","","","","","","1.323","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4311528","13.175","0.002","14.053","0.003","13.558","0.002","90","","115.107","0.001","90","","2273.1","0.7","273.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl Cu N9 O4 -","- C18 H20 Cl Cu N9 O4 -","- C72 H80 Cl4 Cu4 N36 O16 -","4","1","","Akira Wada; Yasutaka Honda; Syuhei Yamaguchi; Shigenori Nagatomo; Teizo Kitagawa; Koichiro Jitsukawa; Hideki Masuda","Steric and Hydrogen-Bonding Effects on the Stability of Copper Complexes with Small Molecules","Inorganic Chemistry","2004","43","","5725","5735","10.1021/ic0496572","","","0.7107","MoKα","","","0.0566","","","","0.0655","","","","","","1.107","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4311529","12.765","0.009","16.814","0.003","12.582","0.004","102.22","0.02","111.58","0.02","110.2","0.03","2172","2","288.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Cl Cu N8 O4 -","- C18 H19 Cl Cu N8 O4 -","- C72 H76 Cl4 Cu4 N32 O16 -","4","2","","Akira Wada; Yasutaka Honda; Syuhei Yamaguchi; Shigenori Nagatomo; Teizo Kitagawa; Koichiro Jitsukawa; Hideki Masuda","Steric and Hydrogen-Bonding Effects on the Stability of Copper Complexes with Small Molecules","Inorganic Chemistry","2004","43","","5725","5735","10.1021/ic0496572","","","0.7107","MoKα","","","0.0772","","","","0.1243","","","","","","1.297","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4311530","15.22","0.01","9.038","0.007","14.94","0.01","90","","94.668","0.009","90","","2048","2","173.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl Cu N7 O4 -","- C18 H18 Cl Cu N7 O4 -","- C72 H72 Cl4 Cu4 N28 O16 -","4","1","","Akira Wada; Yasutaka Honda; Syuhei Yamaguchi; Shigenori Nagatomo; Teizo Kitagawa; Koichiro Jitsukawa; Hideki Masuda","Steric and Hydrogen-Bonding Effects on the Stability of Copper Complexes with Small Molecules","Inorganic Chemistry","2004","43","","5725","5735","10.1021/ic0496572","","","0.7107","MoKα","","","0.0947","","","","0.1432","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311531","20.0896","0.0011","48.224","0.003","7.8432","0.0004","90","","90","","90","","7598.5","0.7","150","0.2","150","0.2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14.5 H18 Ag Cl N6 O4.5 -","- C14.5 H18 Ag Cl N6 O4.5 -","- C232 H288 Ag16 Cl16 N96 O72 -","16","1","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0273","0.0257","","","0.0576","0.058","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311532","20.7255","0.0011","46.166","0.002","8.4332","0.0004","90","","90","","90","","8069","0.7","150","0.2","150","0.2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C14.5 H18 Ag F6 N6 O0.5 P -","- C14.5 H16 Ag F6 N6 O0.5 P -","- C232 H256 Ag16 F96 N96 O8 P16 -","16","1","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0307","0.0295","","","0.0735","0.074","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311533","21.5481","0.0011","45.196","0.002","8.7331","0.0004","90","","90","","90","","8505.1","0.7","150","0.2","150","0.2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C14.5 H18 Ag F6 N6 O0.5 Sb -","- C14.5 H18 Ag F6 N6 O0.5 Sb -","- C232 H288 Ag16 F96 N96 O8 Sb16 -","16","1","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0427","0.0385","","","0.0898","0.0916","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311534","19.8897","0.0011","48.358","0.003","7.7491","0.0005","90","","90","","90","","7453.3","0.8","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C14.5 H18 Ag B F4 N6 O0.5 -","- C14.5 H18 Ag B F4 N6 O0.5 -","- C232 H288 Ag16 B16 F64 N96 O8 -","16","1","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0238","0.0232","","","0.0564","0.0567","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311535","16.1067","0.0003","16.1067","0.0003","14.4935","0.0005","90","","90","","90","","3759.99","0.16","150","2","150","2","","","","","","","","7","P -4 c 2","P -4 -2c","116","","","","- C49 H49 Ag4 Cl3 F24 N24 P4 -","- C49 H49 Ag4 Cl3 F24 N24 P4 -","- C98 H98 Ag8 Cl6 F48 N48 P8 -","2","0.25","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0628","0.0608","","","0.1529","0.1543","","","","","","1.132","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311536","12.3435","0.0006","20.3548","0.001","9.0861","0.0005","90","","98.523","0.001","90","","2257.7","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Ag F3 N2 O4 S -","- C7 H6 Ag F3 N2 O4 S -","- C56 H48 Ag8 F24 N16 O32 S8 -","8","2","","Yu-Bin Dong; Xia Zhao; Ru-Qi Huang; Mark D. Smith; Hans-Conrad zur Loye","New Ag(I)-Containing Coordination Polymers Generated from Multidentate Schiff-Base Ligands","Inorganic Chemistry","2004","43","","5603","5612","10.1021/ic049787a","","","0.71073","MoKα","","0.0305","0.0276","","","0.0647","0.0663","","","","","","1.046","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311537","29.079","0.002","29.079","0.002","25.623","0.004","90","","90","","120","","18764","3","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H51 I2 N3 Nd O -","- C37 H51 I2 N3 Nd O -","- C666 H918 I36 N54 Nd18 O18 -","18","1","","Hiroyasu Sugiyama; Ilia Korobkov; Sandro Gambarotta; Angela Möller; Peter H. M. Budzelaar","Preparation, Characterization, and Magnetic Behavior of the Ln Derivatives (Ln = Nd, La) of a 2,6-Diiminepyridine Ligand and Corresponding Dianion","Inorganic Chemistry","2004","43","","5771","5779","10.1021/ic049820t","","","0.71073","MoKα","","0.0996","0.0568","","","0.138","0.1666","","","","","","1.021","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311538","18.938","0.003","12.8774","0.0018","20.907","0.003","90","","100.155","0.002","90","","5018.8","1.3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Cl2 Li N3 Nd O3 -","- C48 H72 Cl2 Li N3 Nd O3 -","- C192 H288 Cl8 Li4 N12 Nd4 O12 -","4","1","","Hiroyasu Sugiyama; Ilia Korobkov; Sandro Gambarotta; Angela Möller; Peter H. M. Budzelaar","Preparation, Characterization, and Magnetic Behavior of the Ln Derivatives (Ln = Nd, La) of a 2,6-Diiminepyridine Ligand and Corresponding Dianion","Inorganic Chemistry","2004","43","","5771","5779","10.1021/ic049820t","","","0.71073","MoKα","","0.091","0.0553","","","0.1238","0.143","","","","","","1.047","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311539","19.044","0.002","12.8775","0.0014","20.944","0.002","90","","100.309","0.002","90","","5053.4","0.9","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Cl2 La Li N3 O3 -","- C48 H72 Cl2 La Li N3 O3 -","- C192 H288 Cl8 La4 Li4 N12 O12 -","4","1","","Hiroyasu Sugiyama; Ilia Korobkov; Sandro Gambarotta; Angela Möller; Peter H. M. Budzelaar","Preparation, Characterization, and Magnetic Behavior of the Ln Derivatives (Ln = Nd, La) of a 2,6-Diiminepyridine Ligand and Corresponding Dianion","Inorganic Chemistry","2004","43","","5771","5779","10.1021/ic049820t","","","0.71073","MoKα","","0.0511","0.0306","","","0.0665","0.0758","","","","","","1.022","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311540","13.6306","0.0016","15.4084","0.0018","15.4759","0.0018","90.594","0.002","114.928","0.0019","92.662","0.002","2942.7","0.6","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H178 Cl2 Li2 N6 Nd2 O12 -","- C114 H178 Cl2 Li2 N6 Nd2 O12 -","- C114 H178 Cl2 Li2 N6 Nd2 O12 -","1","0.5","","Hiroyasu Sugiyama; Ilia Korobkov; Sandro Gambarotta; Angela Möller; Peter H. M. Budzelaar","Preparation, Characterization, and Magnetic Behavior of the Ln Derivatives (Ln = Nd, La) of a 2,6-Diiminepyridine Ligand and Corresponding Dianion","Inorganic Chemistry","2004","43","","5771","5779","10.1021/ic049820t","","","0.71073","MoKα","","0.1332","0.0692","","","0.0911","0.1064","","","","","","1.013","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311541","13.7858","0.0014","15.499","0.0016","15.5071","0.0016","90.532","0.002","115.013","0.002","92.711","0.002","2997.7","0.5","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H178 Cl2 La2 Li2 N6 O12 -","- C114 H178 Cl2 La2 Li2 N6 O12 -","- C114 H178 Cl2 La2 Li2 N6 O12 -","1","0.5","","Hiroyasu Sugiyama; Ilia Korobkov; Sandro Gambarotta; Angela Möller; Peter H. M. Budzelaar","Preparation, Characterization, and Magnetic Behavior of the Ln Derivatives (Ln = Nd, La) of a 2,6-Diiminepyridine Ligand and Corresponding Dianion","Inorganic Chemistry","2004","43","","5771","5779","10.1021/ic049820t","","","0.71073","MoKα","","0.1037","0.0577","","","0.0946","0.108","","","","","","1.004","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311542","12.093","0.007","12.303","0.006","15.621","0.009","90","","105.36","0.01","90","","2241","2","193.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 Ir2 S2 -","- C22 H34 Ir2 S2 -","- C88 H136 Ir8 S8 -","4","0.5","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0777","","","","0.1704","","","","","","1.84","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311543","11.696","0.003","12.93","0.004","15.816","0.005","90","","105.4","0.02","90","","2306","1.2","293.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 O Rh2 S2 -","- C22 H34 O Rh2 S2 -","- C88 H136 O4 Rh8 S8 -","4","0.5","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0415","","","","0.1132","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311544","8.517","0.006","14.367","0.006","19.674","0.005","90","","96.3","0.01","90","","2393","2","293.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O2 Rh2 S2 -","- C22 H34 O2 Rh2 S2 -","- C88 H136 O8 Rh8 S8 -","4","1","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0757","","","","0.1572","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311545","23.013","0.001","23.013","0.001","8.8481","0.0005","90","","90","","90","","4685.9","0.4","193.2","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H34 Ir2 O2 S2 -","- C22 H34 Ir2 O2 S2 -","- C176 H272 Ir16 O16 S16 -","8","1","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.038","","","","0.0781","","","","","","0.964","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311546","12.519","0.001","14.582","0.001","11.842","0.001","98.007","0.009","95.297","0.007","85.428","0.008","2126.7","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H57 B Rh2 S -","- C47 H57 B Rh2 S -","- C94 H114 B2 Rh4 S2 -","2","1","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0348","","","","0.0589","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311547","29.931","0.002","8.7984","0.0007","16.809","0.001","90","","90","","90","","4426.6","0.5","293.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C49 H59 B Rh2 S -","- C49 H59 B Rh2 S -","- C196 H236 B4 Rh8 S4 -","4","1","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0417","","","","0.0566","","","","","","0.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311548","16.868","0.002","17.464","0.002","29.355","0.003","90","","92.869","0.005","90","","8636.6","1.7","293.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H114 B2 Rh4 S2 -","- C95.04 H108 B2 Rh4 S1.98 -","- C380.16 H432 B8 Rh16 S7.92 -","4","1","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0708","","","","0.131","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311549","11.5491","0.0008","12.315","0.001","17.291","0.001","79.146","0.009","83.98","0.01","87.84","0.01","2401.5","0.3","293.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H120 B2 Cl4 Rh4 S2 -","- C102 H108 B2 Cl4 Rh4 S2 -","- C102 H108 B2 Cl4 Rh4 S2 -","1","0.5","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.081","","","","0.1941","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311550","10.989","0.002","9.809","0.002","13.058","0.002","90","","91.252","0.004","90","","1407.2","0.4","153.2","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H37 Cl3 Ir2 S2 -","- C24 H39 Cl3 Ir2 S2 -","- C48 H78 Cl6 Ir4 S4 -","2","0.5","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0305","","","","0.0629","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311551","8.681","0.003","12.564","0.004","24.512","0.008","90","","98.255","0.004","90","","2645.8","1.5","193.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 Cl3 Ir2 S2 -","- C23 H36 Cl3 Ir2 S2 -","- C92 H144 Cl12 Ir8 S8 -","4","1","","Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe","Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds","Inorganic Chemistry","2004","43","","5688","5697","10.1021/ic049855t","","","0.7107","MoKα","","","0.0379","","","","0.0657","","","","","","1.078","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4311552","20.0942","0.0015","5.8958","0.0004","17.8169","0.0013","90","","96.921","0.0012","90","","2095.4","0.3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Cl2 N4 Pb3 S4 -","- C8 H24 Cl2 N4 Pb3 S4 -","- C32 H96 Cl8 N16 Pb12 S16 -","4","0.5","","Holger Fleischer; Dieter Schollmeyer","Synthesis of and Structural Studies on Lead(II) Cysteamin Complexes","Inorganic Chemistry","2004","43","","5529","5536","10.1021/ic0498889","","","0.71069","MoKα","","0.0342","0.0284","","","0.0641","0.066","","","","","","1.01","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311553","9.8426","0.0006","19.117","0.005","9.7279","0.0005","90","","90","","90","","1830.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 N2 Pb S2 -","- C4 H12 N2 Pb S2 -","- C32 H96 N16 Pb8 S16 -","8","1","","Holger Fleischer; Dieter Schollmeyer","Synthesis of and Structural Studies on Lead(II) Cysteamin Complexes","Inorganic Chemistry","2004","43","","5529","5536","10.1021/ic0498889","","","0.71069","MoKα","","0.1268","0.0506","","","0.0939","0.1157","","","","","","0.975","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4311554","13.642","0.0009","11.8818","0.0008","15.8709","0.0011","90","","108.893","0.008","90","","2433.9","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2-bis(carboxymethyl)aminomethyl-6-(carboxymethyl) (hydroxycarbonylmethyl)aminomethyl-4-methoxyphenoxy} diaquodicopper(II) tetrahydrate","","- C17 H30 Cu2 N2 O16 -","- C17 H30 Cu2 N2 O16 -","- C68 H120 Cu8 N8 O64 -","4","1","","Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry","Inorganic Chemistry","2004","43","","5931","5943","10.1021/ic035333m","","","0.71073","MoKα","","0.0605","0.0473","","","0.1153","0.1199","","","","","","0.901","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311555","9.748","0.0003","17.9786","0.0006","15.7561","0.0005","90","","98.777","0.001","90","","2729.01","0.15","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Hexaaquodi(μ-aquo)disodium[bis-[{2,6-bis(N,N-bis-(carboxymethyl) aminomethyl)-4-chlorophenoxy}diaquodicopper(II)] hexahydrate","","- C32 H64 Cl2 Cu4 N4 Na2 O36 -","- C32 H64 Cl2 Cu4 N4 Na2 O36 -","- C64 H128 Cl4 Cu8 N8 Na4 O72 -","2","0.5","","Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry","Inorganic Chemistry","2004","43","","5931","5943","10.1021/ic035333m","","","0.71073","MoKα","","0.0428","0.0381","","","0.0984","0.1017","","","","","","1.085","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311556","10.9861","0.001","11.9354","0.0011","12.2807","0.0011","69.841","0.01","89.94","0.01","80.984","0.011","1490.5","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquocopper(II) {2,6-bis-(bis(carboxymethyl)aminomethyl)-4-methylphenoxy} diaquodicopper(II) nitrate dihydrate","","- C17 H37 Cu3 N3 O22 -","- C17 H37 Cu3 N3 O22 -","- C34 H74 Cu6 N6 O44 -","2","1","","Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry","Inorganic Chemistry","2004","43","","5931","5943","10.1021/ic035333m","","","0.71073","MoKα","","0.064","0.0551","","","0.1338","0.1373","","","","","","0.971","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311557","14.9546","0.0014","10.76","0.0007","15.2001","0.0011","90","","105.198","0.01","90","","2360.3","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-bis(carboxymethyl)aminomethyl-6-(carboxymethyl) (hydroxycarbonylmethyl)aminomethyl-4-chlorophenoxy} triaquodicopper(II) trihydrate","","- C16 H27 Cl Cu2 N2 O15 -","- C16 H27 Cl Cu2 N2 O15 -","- C64 H108 Cl4 Cu8 N8 O60 -","4","1","","Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry","Inorganic Chemistry","2004","43","","5931","5943","10.1021/ic035333m","","","0.71073","MoKα","","0.0572","0.0479","","","0.1215","0.1259","","","","","","0.965","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311558","15.0808","0.0012","10.8279","0.0006","15.1972","0.0011","90","","104.659","0.009","90","","2400.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 Cu2 N2 O15 -","- C17 H30 Cu2 N2 O15 -","- C68 H120 Cu8 N8 O60 -","4","1","","Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry","Inorganic Chemistry","2004","43","","5931","5943","10.1021/ic035333m","","","0.71073","MoKα","","0.0497","0.0363","","","0.0876","0.0918","","","","","","0.893","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311559","14.8149","0.0012","11.1467","0.0006","15.1721","0.0011","90","","105.544","0.009","90","","2413.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{2-bis(carboxymethyl)aminomethyl-6-(carboxymethyl) (hydroxycarbonylmethyl)aminomethyl-4-methoxyphenoxy} triaquodicopper(II) trihydrate","","- C17 H30 Cu2 N2 O16 -","- C17 H30 Cu2 N2 O16 -","- C68 H120 Cu8 N8 O64 -","4","1","","Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry","Inorganic Chemistry","2004","43","","5931","5943","10.1021/ic035333m","","","0.71073","MoKα","","0.0542","0.0375","","","0.0878","0.0925","","","","","","0.885","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311560","10.8585","0.0007","12.0613","0.0006","23.2112","0.0015","90","","94.118","0.008","90","","3032.1","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,6-bis{(carboxymethyl)(hydroxycarbonylmethyl)aminomethyl} -4-methoxyphenoxy](μ-chloro)(methanol)dicopper(II) tetramethanol solvate","","- C22 H39 Cl Cu2 N2 O15 -","- C22 H37 Cl Cu2 N2 O15 -","- C88 H148 Cl4 Cu8 N8 O60 -","4","1","","Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry","Inorganic Chemistry","2004","43","","5931","5943","10.1021/ic035333m","","","0.71073","MoKα","","0.0787","0.0438","","","0.0985","0.1083","","","","","","0.832","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311561","10.9594","0.0005","12.1146","0.0006","23.2579","0.0011","90","","93.946","0.001","90","","3080.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,6-bis{(carboxymethyl)(hydroxycarbonylmethyl)aminomethyl} -4-methoxyphenoxy](μ-bromo)(methanol)dicopper(II) tetramethanol solvate","","- C22 H39 Br Cu2 N2 O15 -","- C22 H39 Br Cu2 N2 O15 -","- C88 H156 Br4 Cu8 N8 O60 -","4","1","","Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry","Inorganic Chemistry","2004","43","","5931","5943","10.1021/ic035333m","","","0.71073","MoKα","","0.0514","0.041","","","0.1056","0.1099","","","","","","1.05","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311562","16.9553","0.0018","7.8694","0.0008","22.512","0.002","90","","106.335","0.002","90","","2882.5","0.5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Deca(μ-aquo)sodiumpentapotassium-bis-[{2,6-bis(N,N-bis-(carboxymethyl) aminomethyl)-4-methylphenoxy}(μ-carbonato)dicopper(II)] tetrahydrate","","- C36 H62 Cu4 K5 N4 Na O38 -","- C36 H53.4 Cu4 K5 N4 Na O38 -","- C72 H106.8 Cu8 K10 N8 Na2 O76 -","2","0.5","","Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry","Inorganic Chemistry","2004","43","","5931","5943","10.1021/ic035333m","","","0.71073","MoKα","","0.0838","0.0754","","","0.2124","0.2191","","","","","","1.035","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311563","28.132","0.004","19.261","0.003","18.641","0.003","90","","110.055","0.002","90","","9488","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H100 Mn4 O28 P6 -","- C98 H100 Mn4 O28 P6 -","- C392 H400 Mn16 O112 P24 -","4","0.5","","Jian-Zhong Wu; Eric Sellitto; Glenn P. A. Yap; John Sheats; G. Charles Dismukes","Trapping an Elusive Intermediate in Manganese-Oxo Cubane Chemistry","Inorganic Chemistry","2004","43","","5795","5797","10.1021/ic048988b","","","0.71073","MoKα","","0.0474","0.0455","","","0.1245","0.1263","","","","","","1.049","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311564","26.304","0.005","25.7","0.005","28.724","0.005","90","","112.139","0.004","90","","17986","6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85.75 H87.5 Cl0.25 Mn4 O28.5 P6 -","- C84 H84 Mn4 O28 P6 -","- C672 H672 Mn32 O224 P48 -","8","2","","Jian-Zhong Wu; Eric Sellitto; Glenn P. A. Yap; John Sheats; G. Charles Dismukes","Trapping an Elusive Intermediate in Manganese-Oxo Cubane Chemistry","Inorganic Chemistry","2004","43","","5795","5797","10.1021/ic048988b","","","0.71073","MoKα","","0.1266","0.073","","","0.1802","0.2015","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311565","15.485","0.003","39.423","0.007","18.32","0.003","90","","113.619","0.003","90","","10247","3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H100 Cl6 Mn4 O29 P6 -","- C87 H94 Mn4 O29 P6 -","- C348 H376 Mn16 O116 P24 -","4","1","","Jian-Zhong Wu; Eric Sellitto; Glenn P. A. Yap; John Sheats; G. Charles Dismukes","Trapping an Elusive Intermediate in Manganese-Oxo Cubane Chemistry","Inorganic Chemistry","2004","43","","5795","5797","10.1021/ic048988b","","","0.71073","MoKα","","0.1168","0.0796","","","0.1748","0.1889","","","","","","1.062","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311566","10.375","0.0003","14.476","0.0004","10.499","0.0002","90","","102.416","0.0015","90","","1539.95","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 N2 Si -","- C18 H13 F3 N2 Si -","- C72 H52 F12 N8 Si4 -","4","1","","Moshe Nakash; Michael Goldvaser; Israel Goldberg","Formation of Hexacoordinate Complexes of PhCCSiF3 with 2,2'-Bipyridine and with 1,10-Phenanthroline through Intermolecular Silicon...Nitrogen Interactions","Inorganic Chemistry","2004","43","","5792","5794","10.1021/ic049125l","","","0.71073","MoKα","","0.0549","0.0399","","","0.0956","0.1036","","","","","","1.063","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311567","8.83","0.0003","11.353","0.0004","19.799","0.0008","97.39","0.0017","90.396","0.0014","91.589","0.0018","1967.44","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl2 F3 N2 Si -","- C21 H15 Cl2 F3 N2 Si -","- C84 H60 Cl8 F12 N8 Si4 -","4","2","","Moshe Nakash; Michael Goldvaser; Israel Goldberg","Formation of Hexacoordinate Complexes of PhCCSiF3 with 2,2'-Bipyridine and with 1,10-Phenanthroline through Intermolecular Silicon...Nitrogen Interactions","Inorganic Chemistry","2004","43","","5792","5794","10.1021/ic049125l","","","0.71073","MoKα","","0.099","0.063","","","0.1251","0.1417","","","","","","1.055","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311568","17.2061","0.0017","12.7515","0.0012","16.5139","0.0017","90","","93.275","0.002","90","","3617.3","0.6","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tp(Ph,Me)Zn(acac)","Hydrotris(3-phenyl-5-methyl-pyrazol-1-yl)borato-zink-acetylacetonat","","- C37 H38 B N7 O2 Zn -","- C37 H38 B N7 O2 Zn -","- C148 H152 B4 N28 O8 Zn4 -","4","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 3. Acid-Base Reactions","Inorganic Chemistry","2004","43","","6054","6060","10.1021/ic049177a","","","0.71073","MoKα","","0.2021","0.0692","","","0.1651","0.246","","","","","","0.923","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311569","11.724","0.0012","12.3389","0.0013","13.7083","0.0014","79.083","0.002","75.37","0.002","71.174","0.002","1803.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Tp(Ph,Me)Znpz(Ph,Me)","Hydrotris(3-phenyl-5-methylpyrazol-1-yl)borato-zink- (3-phenyl-5-methyl)pyrazolid","","- C40 H37 B N8 Zn -","- C40 H37 B N8 Zn -","- C80 H74 B2 N16 Zn2 -","2","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 3. Acid-Base Reactions","Inorganic Chemistry","2004","43","","6054","6060","10.1021/ic049177a","","","0.71073","MoKα","","0.2918","0.0816","","","0.1782","0.2978","","","","","","0.908","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311570","25.014","0.002","12.2602","0.0011","28.007","0.003","90","","107.886","0.002","90","","8174","1.3","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tp(Cum,Me)Zn-β-lactamat","Hydrotris(3-cumyl-5-methylpyrazol-1-yl)borato-zink-N-β-propiolactamat","","- C86 H103 B2 N15 O2 Zn2 -","- C86 H103 B2 N15 O2 Zn2 -","- C344 H412 B8 N60 O8 Zn8 -","4","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 3. Acid-Base Reactions","Inorganic Chemistry","2004","43","","6054","6060","10.1021/ic049177a","","","0.71073","MoKα","","0.1082","0.0533","","","0.1463","0.1764","","","","","","1.207","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311571","12.0483","0.0009","12.5006","0.001","14.4961","0.0011","65.78","0.001","69.35","0.001","62.037","0.001","1723.5","0.2","206","2","206","2","","","","","","","","7","P -1","-P 1","2","Tp(Ph,Me)Zn-2,4-thiazolidindionat","Hydrotris(3-phenyl-5-methylpyrazol-1-yl)borato-zink-2,4-thiazolidindionat","","- C35 H33 B N8 O2 S Zn -","- C35 H33 B N8 O2 S Zn -","- C70 H66 B2 N16 O4 S2 Zn2 -","2","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 3. Acid-Base Reactions","Inorganic Chemistry","2004","43","","6054","6060","10.1021/ic049177a","","","0.71073","MoKα","","0.0736","0.0452","","","0.1079","0.1225","","","","","","1.03","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311572","11.6821","0.001","12.2344","0.0011","13.2961","0.0011","92.358","0.002","106.553","0.002","92.744","0.002","1816.5","0.3","210","2","210","2","","","","","","","","7","P -1","-P 1","2","Tp(Ph,Me)Zn-o-Benzoesäuresulfimid","Hydrotris(3-phenyl-5-methylpyrazol-1-yl)borato-zink-o-Benzoesäuresulfimid","","- C39 H35 B N8 O3 S Zn -","- C39 H35 B N8 O3 S Zn -","- C78 H70 B2 N16 O6 S2 Zn2 -","2","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 3. Acid-Base Reactions","Inorganic Chemistry","2004","43","","6054","6060","10.1021/ic049177a","","","0.71073","MoKα","","0.1794","0.0766","","","0.1813","0.249","","","","","","0.913","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311573","12.4868","0.0013","25.565","0.003","10.8602","0.0011","90","","114.72","0.002","90","","3149.2","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tp(Ph,Me)ZnCH2CN","Hydrotris(3-phenyl-5-methylpyrazol-1-yl)borato-zink-cyanomethanid","","- C34 H30 B N8 Zn -","- C34 H33 B N8 Zn -","- C136 H132 B4 N32 Zn4 -","4","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 3. Acid-Base Reactions","Inorganic Chemistry","2004","43","","6054","6060","10.1021/ic049177a","","","0.71073","MoKα","","0.1782","0.0726","","","0.1883","0.261","","","","","","0.989","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311574","16.631","0.013","12.969","0.011","16.544","0.013","90","","95.023","0.013","90","","3555","5","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tp(Ph,Me)Zn-(N,O)acac","Hydrotris(3-phenyl-5-methylpyrazol-1-yl)borato-zink-(N,O)-4-iminopentan-2-onat","","- C37 H39 B N8 O Zn -","- C37 H39 B N8 O Zn -","- C148 H156 B4 N32 O4 Zn4 -","4","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 3. Acid-Base Reactions","Inorganic Chemistry","2004","43","","6054","6060","10.1021/ic049177a","","","0.71073","MoKα","","0.2162","0.0957","","","0.2175","0.2519","","","","","","0.784","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311575","9.1037","0.0014","21.911","0.004","20.208","0.003","90","","92.837","0.004","90","","4026","1.1","206","2","206","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tp(Cum,Me)ZnSEt","Hydrotris(3-cumyl-5-methylpyrazol-1-yl)borato-zink-ethanthiolat","","- C41 H51 B N6 S Zn -","- C41 H51 B N6 S Zn -","- C164 H204 B4 N24 S4 Zn4 -","4","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 2. Solvolytic Chemistry","Inorganic Chemistry","2004","43","","6050","6053","10.1021/ic0491783","","","0.71073","MoKα","","0.1336","0.0641","","","0.1715","0.2141","","","","","","0.964","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311576","12.15","0.002","19.721","0.004","14.685","0.003","90","","96.548","0.004","90","","3495.7","1.2","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Tp(Ph,Me)ZnS(CH2)2SC(S)OMe","Hydrotris(3-phenyl-5-methyl-pyrazol-1-yl)borato-zink -O-methylxanthogenato)ethanthiolat","","- C34 H35 B N6 O S3 Zn -","- C34 H35 B N6 O S3 Zn -","- C136 H140 B4 N24 O4 S12 Zn4 -","4","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 2. Solvolytic Chemistry","Inorganic Chemistry","2004","43","","6050","6053","10.1021/ic0491783","","","0.71073","MoKα","","0.368","0.0891","","","0.2111","0.3148","","","","","","0.743","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311577","9.0614","0.0019","9.912","0.002","16.412","0.003","106.14","0.004","102.985","0.004","90.631","0.004","1375.5","0.5","248","2","248","2","","","","","","","","6","P -1","-P 1","2","Tp(Ph,Me)Zn-OMe","Hydrotris(3-phenyl-5-methylpyrazol-1-yl)borato-zink-methanolat","","- C31 H31 B N6 O Zn -","- C31 H31 B N6 O Zn -","- C62 H62 B2 N12 O2 Zn2 -","2","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 1. Basic Properties, Methylations, and Heterocumulene Insertions","Inorganic Chemistry","2004","43","","6042","6049","10.1021/ic049179v","","","0.71073","MoKα","","0.0842","0.0511","","","0.1256","0.1422","","","","","","1.019","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311578","11.4827","0.0009","9.8752","0.0008","27.28","0.002","90","","95.902","0.002","90","","3077","0.4","207","2","207","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tp(Ph,Me)ZnOC(O)OMe","Hydrotris(3-phenyl-5-methyl-pyrazol-1-yl)borato-zink-methylcarbonat","","- C32 H31 B N6 O3 Zn -","- C32 H31 B N6 O3 Zn -","- C128 H124 B4 N24 O12 Zn4 -","4","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 1. Basic Properties, Methylations, and Heterocumulene Insertions","Inorganic Chemistry","2004","43","","6042","6049","10.1021/ic049179v","","","0.71073","MoKα","","0.0619","0.0397","","","0.1047","0.1173","","","","","","1.046","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311579","9.526","0.002","18.106","0.005","18.99","0.005","90","","94.959","0.005","90","","3263.1","1.4","569","2","569","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Tp(Ph,Me)ZnSC(S)OEt","Hydrotris(3-phenyl-5-methyl-pyrazol-1-yl)borato-zink-(O-ethyl)-dithiocarbonat","","- C33 H33 B N6 O S2 Zn -","- C33 H33 B N6 O S2 Zn -","- C132 H132 B4 N24 O4 S8 Zn4 -","4","1","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 1. Basic Properties, Methylations, and Heterocumulene Insertions","Inorganic Chemistry","2004","43","","6042","6049","10.1021/ic049179v","","","0.71073","MoKα","","0.1793","0.0663","","","0.1698","0.2357","","","","","","0.979","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311580","11.3881","0.0008","17.004","0.0011","19.1046","0.0013","97.976","0.001","90.062","0.001","100.237","0.001","3604.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Tp(Ph,Me)ZnSC(OMe)NC6H5","Hydrotris(5-methyl-3-phenyl-pyrazol-1-yl)borato-zink -O-methyl-N-phenyl-iminothiocarbonat","","- C38 H36 B N7 O S Zn -","- C38 H36 B N7 O S Zn -","- C152 H144 B4 N28 O4 S4 Zn4 -","4","2","","Horst Brombacher; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Alkoxide Complexes. 1. Basic Properties, Methylations, and Heterocumulene Insertions","Inorganic Chemistry","2004","43","","6042","6049","10.1021/ic049179v","","","0.71073","MoKα","","0.1093","0.0482","","","0.1179","0.1458","","","","","","0.913","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311581","11.052","0.009","30.56","0.03","11.25","0.01","90","","93.309","0.014","90","","3793","6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 N2 O2 -","- C40 H64 N2 O2 -","- C160 H256 N8 O8 -","4","1","","Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies","Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading","Inorganic Chemistry","2004","43","","6024","6034","10.1021/ic049182e","","","0.71073","MoKα","","0.3639","0.1349","","","0.2431","0.3277","","","","","","0.853","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311582","33.446","0.006","12.858","0.002","18.768","0.003","90","","91.156","0.006","90","","8070","2","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H66 N2 O2 -","- C42 H66 N2 O2 -","- C336 H528 N16 O16 -","8","1","","Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies","Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading","Inorganic Chemistry","2004","43","","6024","6034","10.1021/ic049182e","","","0.71073","MoKα","","0.1478","0.0647","","","0.1516","0.1823","","","","","","0.832","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311583","6.145","0.003","17.6","0.008","27.415","0.013","90","","92.658","0.01","90","","2962","2","293","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N2 O2 -","- C32 H48 N2 O2 -","- C128 H192 N8 O8 -","4","1","","Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies","Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading","Inorganic Chemistry","2004","43","","6024","6034","10.1021/ic049182e","","","0.71073","MoKα","","0.0799","0.0541","","","0.14","0.1592","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311584","12.104","0.005","14.875","0.006","22.512","0.008","90","","90","","90","","4053","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 Cl Cr N2 O2 -","- C40 H62 Cl Cr N2 O2 -","- C160 H248 Cl4 Cr4 N8 O8 -","4","1","","Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies","Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading","Inorganic Chemistry","2004","43","","6024","6034","10.1021/ic049182e","","","0.71073","MoKα","","0.3237","0.0602","","","0.116","0.2052","","","","","","0.675","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311585","6.5472","0.0011","12.566","0.002","26.087","0.004","90","","96.418","0.003","90","","2132.8","0.6","110","2","110","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C42 H66 Cl Cr N2 O3 -","- C42 H66 Cl Cr N2 O3 -","- C84 H132 Cl2 Cr2 N4 O6 -","2","1","","Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies","Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading","Inorganic Chemistry","2004","43","","6024","6034","10.1021/ic049182e","","","0.71073","MoKα","","0.1484","0.0873","","","0.1855","0.2237","","","","","","1.066","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311586","16.253","0.016","26.26","0.03","11.705","0.012","90","","98.164","0.019","90","","4945","9","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H77 Cl Cr N2 O6 -","- C52 H77 Cl Cr N2 O6 -","- C208 H308 Cl4 Cr4 N8 O24 -","4","1","","Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies","Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading","Inorganic Chemistry","2004","43","","6024","6034","10.1021/ic049182e","","","0.71073","MoKα","","0.1109","0.0644","","","0.1422","0.1727","","","","","","1.057","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311587","14.842","0.005","5.9083","0.001","23.241","0.002","90","","99.07","0.02","90","","2012.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C14 H30 N2 Ni2 O2 S4 -","- C14 H28 N2 Ni2 O2 S4 -","- C56 H112 N8 Ni8 O8 S16 -","4","0.5","","F. Ekkehardt Hahn; Christian Ochs; Thomas Lügger; Roland Fröhlich","An Unsymmetrical Tripodal Ligand with NOS2-Donor Set: Coordination Chemistry with Nickel(II) and Zinc(II)","Inorganic Chemistry","2004","43","","6101","6107","10.1021/ic0491940","","","0.71073","MoKα","","0.0558","0.0423","","","0.1052","0.1133","","","","","","1.081","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311588","14.594","0.001","12.531","0.001","23.022","0.001","90","","104.31","0.01","90","","4079.6","0.5","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H60 N4 O4 S8 Zn4 -","- C28 H60 N4 O4 S8 Zn4 -","- C112 H240 N16 O16 S32 Zn16 -","4","1","","F. Ekkehardt Hahn; Christian Ochs; Thomas Lügger; Roland Fröhlich","An Unsymmetrical Tripodal Ligand with NOS2-Donor Set: Coordination Chemistry with Nickel(II) and Zinc(II)","Inorganic Chemistry","2004","43","","6101","6107","10.1021/ic0491940","","","0.71073","MoKα","","0.0387","0.0299","","","0.068","0.0716","","","","","","1.032","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311589","10.253","0.002","10.309","0.002","17.601","0.004","92.937","0.003","95.568","0.003","115.824","0.002","1657.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[N{(C3F7)C(Dipp)N}2]H","","","- C32 H35 F14 N3 -","- C32 H35 F14 N3 -","- C64 H70 F28 N6 -","2","1","","H. V. Rasika Dias; Shreeyukta Singh","Copper(I) Complexes of Fluorinated Triazapentadienyl Ligands: Synthesis and Characterization of [N{(C3F7)C(Dipp)N}2]CuL (Where L = NCCH3, CNBut, CO; Dipp = 2,6-Diisopropylphenyl)","Inorganic Chemistry","2004","43","","5786","5788","10.1021/ic049229w","","","0.71073","MoKα","","0.0435","0.0397","","","0.1042","0.1076","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311590","12.0042","0.0016","18.811","0.003","49.657","0.007","90","","90","","90","","11213","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[N{(C3F7)C(Dipp)N}2]CuNCCH3","","","- C34 H37 Cu F14 N4 -","- C34 H37 Cu F14 N4 -","- C408 H444 Cu12 F168 N48 -","12","3","","H. V. Rasika Dias; Shreeyukta Singh","Copper(I) Complexes of Fluorinated Triazapentadienyl Ligands: Synthesis and Characterization of [N{(C3F7)C(Dipp)N}2]CuL (Where L = NCCH3, CNBut, CO; Dipp = 2,6-Diisopropylphenyl)","Inorganic Chemistry","2004","43","","5786","5788","10.1021/ic049229w","","","0.71073","MoKα","","0.0493","0.0438","","","0.0953","0.0973","","","","","","1.132","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311591","10.2756","0.0004","11.6283","0.0005","16.6953","0.0006","102.529","0.001","97.18","0.001","109.224","0.001","1796.56","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","[N{(C3F7)C(Dipp)N}2]CuCO","","","- C33 H34 Cu F14 N3 O -","- C33 H34 Cu F14 N3 O -","- C66 H68 Cu2 F28 N6 O2 -","2","1","","H. V. Rasika Dias; Shreeyukta Singh","Copper(I) Complexes of Fluorinated Triazapentadienyl Ligands: Synthesis and Characterization of [N{(C3F7)C(Dipp)N}2]CuL (Where L = NCCH3, CNBut, CO; Dipp = 2,6-Diisopropylphenyl)","Inorganic Chemistry","2004","43","","5786","5788","10.1021/ic049229w","","","0.71073","MoKα","","0.0582","0.0436","","","0.092","0.0968","","","","","","1.046","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311592","11.6602","0.0004","19.9062","0.0006","9.6896","0.0003","90","","99.576","0.001","90","","2217.72","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cu3 N8 O5 -","- C16 H20 Cu3 N8 O5 -","- C64 H80 Cu12 N32 O20 -","4","1","","Maurizio Casarin; Carlo Corvaja; Corrado di Nicola; Daniele Falcomer; Lorenzo Franco; Magda Monari; Luciano Pandolfo; Claudio Pettinari; Fabio Piccinelli; Pietro Tagliatesta","Spontaneous Self-Assembly of an Unsymmetric Trinuclear Triangular Copper(II) Pyrazolate Complex, [Cu3(μ3-OH)(μ-pz)3(MeCOO)2(Hpz)] (Hpz = Pyrazole). Synthesis, Experimental and Theoretical Characterization, Reactivity, and Catalytic Activity","Inorganic Chemistry","2004","43","","5865","5876","10.1021/ic049260y","","","0.71069","MoKα","","0.0866","0.0471","","","0.1089","0.1234","","","","","","0.969","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311593","13.981","0.0015","13.0458","0.0015","8.8542","0.001","90","","94.568","0.003","90","","1609.8","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H8 Cu F6 N4 O4 -","- C10 H8 Cu F6 N4 O4 -","- C40 H32 Cu4 F24 N16 O16 -","4","1","","Maurizio Casarin; Carlo Corvaja; Corrado di Nicola; Daniele Falcomer; Lorenzo Franco; Magda Monari; Luciano Pandolfo; Claudio Pettinari; Fabio Piccinelli; Pietro Tagliatesta","Spontaneous Self-Assembly of an Unsymmetric Trinuclear Triangular Copper(II) Pyrazolate Complex, [Cu3(μ3-OH)(μ-pz)3(MeCOO)2(Hpz)] (Hpz = Pyrazole). Synthesis, Experimental and Theoretical Characterization, Reactivity, and Catalytic Activity","Inorganic Chemistry","2004","43","","5865","5876","10.1021/ic049260y","","","0.71073","MoKα","","0.0655","0.0562","","","0.1511","0.1607","","","","","","1.041","","","","has coordinates,has disorder","179154","2020-10-21","18:00:00",""
"4311594","16.891","0.003","6.3013","0.0008","8.3266","0.0013","90","","90","","90","","886.2","0.2","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Au2 O10 Se3 -","- Au2 O10 Se3 -","- Au8 O40 Se12 -","4","0.5","","Mathias S. Wickleder; Oliver Büchner; Claudia Wickleder; Sherif el Sheik; Gunther Brunklaus; Hellmut Eckert","Au2(SeO3)2(SeO4): Synthesis and Characterization of a New Noncentrosymmetric Selenite-Selenate","Inorganic Chemistry","2004","43","","5860","5864","10.1021/ic049270z","","","0.71073","MoKα","","0.0452","0.0362","","0.0873","0.0838","","","","0.986","1.044","1.044","","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311595","10.55","0.005","10.55","0.005","23.15","0.01","90","","90","","90","","2577","2","293.2","","","","","","","","","","","5","P 43","P 4cw","78","","","","- C26 H24 Co2 Cu O10 -","- C26 H16 Co2 Cu O10 -","- C104 H64 Co8 Cu4 O40 -","4","1","","Mitsuru Kondo; Yuri Hayakawa; Makoto Miyazawa; Aiko Oyama; Kei Unoura; Hiroyuki Kawaguchi; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida","A New Redox-Active Coordination Polymer with Cobalticinium Dicarboxylate","Inorganic Chemistry","2004","43","","5801","5803","10.1021/ic049273b","","","0.7107","MoKα","","","0.0584","","","","0.0603","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311596","19.1484","0.0015","18.8443","0.0015","16.6084","0.0013","90","","91.508","0.002","90","","5990.9","0.8","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(dppe)As][(dppe)As2I7]","","","- C52 H48 As3 I7 P4 -","- C52 H48 As3 I7 P4 -","- C208 H192 As12 I28 P16 -","4","1","","Bobby D. Ellis; Charles L. B. Macdonald","Stabilized Arsenic(I) Iodide: A Ready Source of Arsenic Iodide Fragments and a Useful Reagent for the Generation of Clusters","Inorganic Chemistry","2004","43","","5981","5986","10.1021/ic049281s","","","0.71073","MoKα","","0.0675","0.0436","","","0.0898","0.0985","","","","","","1.04","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311597","10.88","0.0007","11.647","0.0007","12.954","0.0008","69.144","0.001","79.827","0.001","81.868","0.001","1504.33","0.16","174","2","174","2","","","","","","","","6","P -1","-P 1","2","[DPPEAs]2[SnCl6]","","","- C54 H52 As2 Cl10 P4 Sn -","- C54 H52 As2 Cl10 P4 Sn -","- C54 H52 As2 Cl10 P4 Sn -","1","0.5","","Bobby D. Ellis; Charles L. B. Macdonald","Stabilized Arsenic(I) Iodide: A Ready Source of Arsenic Iodide Fragments and a Useful Reagent for the Generation of Clusters","Inorganic Chemistry","2004","43","","5981","5986","10.1021/ic049281s","","","0.71073","MoKα","","0.0569","0.0518","","","0.102","0.1084","","","","","","1.284","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311598","11.7825","0.0007","12.4177","0.0007","13.1465","0.0007","79.601","0.001","88.659","0.001","74.866","0.001","1825.71","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","[Ph2P(O)CH2CH2P(OH)Ph2]2[As6I8] . 2 CH2Cl2","","","- C27 H27 As3 Cl2 I4 O2 P2 -","- C27 H27 As3 Cl2 I4 O2 P2 -","- C54 H54 As6 Cl4 I8 O4 P4 -","2","1","","Bobby D. Ellis; Charles L. B. Macdonald","Stabilized Arsenic(I) Iodide: A Ready Source of Arsenic Iodide Fragments and a Useful Reagent for the Generation of Clusters","Inorganic Chemistry","2004","43","","5981","5986","10.1021/ic049281s","","","0.71073","MoKα","","0.0406","0.0325","","","0.0802","0.0835","","","","","","1.068","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311599","11.7453","0.0006","11.9257","0.0006","12.0263","0.0006","75.273","0.001","77.412","0.001","65.189","0.001","1466.89","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis-tetraphenylphosphonium octaiodohexaarsenate","","","- C24 H20 As3 I4 P -","- C24 H20 As3 I4 P -","- C48 H40 As6 I8 P2 -","2","1","","Bobby D. Ellis; Charles L. B. Macdonald","Stabilized Arsenic(I) Iodide: A Ready Source of Arsenic Iodide Fragments and a Useful Reagent for the Generation of Clusters","Inorganic Chemistry","2004","43","","5981","5986","10.1021/ic049281s","","","0.71073","MoKα","","0.0486","0.0316","","","0.0667","0.0831","","","","","","1.023","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311600","9.161","0.003","9.625","0.003","16.719","0.005","78.243","0.004","86.099","0.005","88.529","0.005","1439.8","0.8","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(2) Ti(DMP)4","","","- C32 H36 O4 Ti -","- C32 H36 O4 Ti -","- C64 H72 O8 Ti2 -","2","1","","Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez","Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides","Inorganic Chemistry","2004","43","","6035","6041","10.1021/ic049325x","","","0.71073","MoKα","","0.0692","0.0549","","","0.1237","0.1303","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311601","15.709","0.003","16.58","0.004","17.556","0.004","90","","90","","90","","4572.6","1.8","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(4) Rb4(DMP)4(THF)2*(THF)solv","","","- C44 H60 O7 Rb4 -","- C40 O6 Rb4 -","- C160 O24 Rb16 -","4","1","","Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez","Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides","Inorganic Chemistry","2004","43","","6035","6041","10.1021/ic049325x","","","0.71073","MoKα","","0.14","0.0766","","","0.1583","0.1784","","","","","","0.96","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311602","12.97","0.007","11.549","0.006","19.582","0.011","90","","97.196","0.009","90","","2910","3","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(5) [Rb2(DIP)(THF)]inf","","","- C14 H21 O1.5 Rb -","- C14 H21 O1.5 Rb -","- C112 H168 O12 Rb8 -","8","2","","Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez","Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides","Inorganic Chemistry","2004","43","","6035","6041","10.1021/ic049325x","","","0.71073","MoKα","","0.0702","0.0434","","","0.0891","0.0981","","","","","","1.012","","","","has coordinates","273129","2022-02-23","10:11:34",""
"4311603","11.3747","0.0019","20.282","0.004","16.399","0.003","90","","101.573","0.003","90","","3706.4","1.2","178","2","178","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(6) [TiRb(ONep)5(py)]2","","","- C60 H120 N2 O10 Rb2 Ti2 -","- C60 H120 N2 O10 Rb2 Ti2 -","- C120 H240 N4 O20 Rb4 Ti4 -","2","0.5","","Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez","Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides","Inorganic Chemistry","2004","43","","6035","6041","10.1021/ic049325x","","","0.71073","MoKα","","0.0537","0.0393","","","0.0826","0.0871","","","","","","1.057","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311604","17.101","0.002","10.5715","0.0014","19.698","0.003","90","","90","","90","","3561.1","0.8","178","2","178","2","","","","","","","","5","P n a 21","P 2c -2n","33","(7) [Rb(DMP)Ti(DMP)4]inf","","","- C40 H45 O5 Rb Ti -","- C40 H45 O5 Rb Ti -","- C160 H180 O20 Rb4 Ti4 -","4","1","","Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez","Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides","Inorganic Chemistry","2004","43","","6035","6041","10.1021/ic049325x","","","0.71073","MoKα","","0.0703","0.0532","","","0.0855","0.0901","","","","","","1.043","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4311605","13.986","0.004","13.874","0.004","20.684","0.006","90","","101.688","0.007","90","","3930","2","178","2","178","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(8) [Ti2Rb2(ONep)6(DMP)4]inf*THF","","","- C39 H67 O7 Rb Ti -","- C31 H51 O5 Rb Ti -","- C124 H204 O20 Rb4 Ti4 -","4","1","","Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez","Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides","Inorganic Chemistry","2004","43","","6035","6041","10.1021/ic049325x","","","0.71073","MoKα","","0.1446","0.1102","","","0.266","0.288","","","","","","1.034","","","","has coordinates","273129","2022-02-23","10:11:34",""
"4311606","12.283","0.0002","12.683","0.0002","15.188","0.0003","87.613","0.001","68.984","0.001","88.88","0.001","2206.73","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H64 Al B N2 O5 -","- C51 H60 Al B N2 O4.5 -","- C102 H120 Al2 B2 N4 O9 -","2","1","","Janusz Lewiński; Paweł Horeglad; Maciej Dranka; Iwona Justyniak","Simple Generation of Cationic Aluminum Alkyls and Alkoxides Based on the Pendant Arm Tridentate Schiff Base","Inorganic Chemistry","2004","43","","5789","5791","10.1021/ic049337i","","","0.71073","MoKα","","0.0649","0.0445","","","0.0853","0.0911","","","","","","1.076","","","","has coordinates,has disorder","288091","2023-12-06","15:51:22",""
"4311607","7.231","0.0013","16.669","0.0011","11.057","0.0007","90","0.005","103.335","0.009","90","0.009","1296.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 N8 -","- C12 H14 N8 -","- C48 H56 N32 -","4","1","","Srikanta Patra; Biprajit Sarkar; Sandeep Ghumaan; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Isovalent and Mixed-Valent Diruthenium Complexes [(acac)2RuII(μ-bpytz)RuII(acac)2] and [(acac)2RuII(μ-bpytz)RuIII(acac)2](ClO4) (acac = Acetylacetonate and bpytz = 3,6-Bis(3,5-dimethylpyrazolyl)-1,2,4,5-tetrazine): Synthesis, Spectroelectrochemical, and EPR Investigation","Inorganic Chemistry","2004","43","","6108","6113","10.1021/ic049346r","","","0.7093","MoKα","","0.051","0.0386","","","0.0935","0.103","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311608","10.7432","0.0008","15.1584","0.0011","24.3955","0.0018","99.639","0.002","91.197","0.002","105.776","0.002","3759.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H63 Mn7 N6 O27 Se8 -","- C50 H43 Mn7 O27 Se8 -","- C100 H86 Mn14 O54 Se16 -","2","1","","Nicole E. Chakov; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Mixed-Valence MnIIIMnIV Clusters [Mn7O8(O2SePh)8(O2CMe)(H2O)] and [Mn7O8(O2SePh)9(H2O)]: Single-Chain Magnets Exhibiting Quantum Tunneling of Magnetization","Inorganic Chemistry","2004","43","","5919","5930","10.1021/ic0494049","","","0.71073","MoKα","","0.1605","0.0591","","","0.1496","0.1614","","","","","","0.802","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311609","10.7776","0.0007","27.7484","0.0019","13.4463","0.0009","90","","105.67","0.002","90","","3871.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C56 H51 Cl4 Mn7 O27 Se9 -","- C53.852 H45.852 Mn7 O26 Se9 -","- C107.704 H91.704 Mn14 O52 Se18 -","2","0.5","","Nicole E. Chakov; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","Mixed-Valence MnIIIMnIV Clusters [Mn7O8(O2SePh)8(O2CMe)(H2O)] and [Mn7O8(O2SePh)9(H2O)]: Single-Chain Magnets Exhibiting Quantum Tunneling of Magnetization","Inorganic Chemistry","2004","43","","5919","5930","10.1021/ic0494049","","","0.71073","MoKα","","0.1228","0.0873","","","0.2455","0.2567","","","","","","1.557","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311610","15.1427","0.0017","15.1427","0.0017","15.1427","0.0017","90","","90","","90","","3472.2","0.7","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C Eu2 I3 Li N2 -","- C Eu2 I3 Li N2 -","- C16 Eu32 I48 Li16 N32 -","16","0.0833333","","Wuping Liao; Chunhua Hu; Reinhard K. Kremer; Richard Dronskowski","Formation of Complex Three- and One-Dimensional Interpenetrating Networks within Carbodiimide Chemistry: NCN2‒Coordinated Rare-Earth-Metal Tetrahedra and Condensed Alkali-Metal Iodide Octahedra in Two Novel Lithium Europium Carbodiimide Iodides, LiEu2(NCN)I3 and LiEu4(NCN)3I3","Inorganic Chemistry","2004","43","","5884","5890","10.1021/ic049432r","","","0.71073","MoKα","","0.0369","0.0322","","","0.0778","0.0798","","","","","","1.24","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311611","10.6575","0.0011","10.6575","0.0011","6.8232","0.001","90","","90","","120","","671.17","0.14","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 Eu4 I3 Li N6 -","- C3 Eu4 I3 Li N6 -","- C6 Eu8 I6 Li2 N12 -","2","0.0833333","","Wuping Liao; Chunhua Hu; Reinhard K. Kremer; Richard Dronskowski","Formation of Complex Three- and One-Dimensional Interpenetrating Networks within Carbodiimide Chemistry: NCN2‒Coordinated Rare-Earth-Metal Tetrahedra and Condensed Alkali-Metal Iodide Octahedra in Two Novel Lithium Europium Carbodiimide Iodides, LiEu2(NCN)I3 and LiEu4(NCN)3I3","Inorganic Chemistry","2004","43","","5884","5890","10.1021/ic049432r","","","0.71073","MoKα","","0.0252","0.0246","","","0.0551","0.0554","","","","","","1.245","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311612","8.4819","0.0008","29.976","0.003","15.3807","0.0014","90","","99.346","0.002","90","","3858.7","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 Br N4 Na O6 -","- C38 H50 Br N4 Na O6 -","- C152 H200 Br4 N16 Na4 O24 -","4","1","","Joseph M. Mahoney; Gayathri U. Nawaratna; Alicia M. Beatty; Peter J. Duggan; Bradley D. Smith","Transport of Alkali Halides through a Liquid Organic Membrane Containing a Ditopic Salt-Binding Receptor","Inorganic Chemistry","2004","43","","5902","5907","10.1021/ic0494859","","","0.71073","MoKα","","0.0641","0.0387","","","0.0765","0.0925","","","","","","1.001","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311613","22.685","0.006","13.29","0.004","27.755","0.007","90","","103.992","0.005","90","","8119","4","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.2 H52.4 Br K N4 O7.25 -","- C39.2 H43 Br K N4 O6.6 -","- C313.6 H344 Br8 K8 N32 O52.8 -","8","2","","Joseph M. Mahoney; Gayathri U. Nawaratna; Alicia M. Beatty; Peter J. Duggan; Bradley D. Smith","Transport of Alkali Halides through a Liquid Organic Membrane Containing a Ditopic Salt-Binding Receptor","Inorganic Chemistry","2004","43","","5902","5907","10.1021/ic0494859","","","0.71073","MoKα","","0.1925","0.0735","","","0.1583","0.1809","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311614","13.4663","0.0006","24.679","0.0011","13.5514","0.0006","90","","100.675","0.001","90","","4425.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 I K N4 O8 -","- C42 H58 I K N4 O8 -","- C168 H232 I4 K4 N16 O32 -","4","1","","Joseph M. Mahoney; Gayathri U. Nawaratna; Alicia M. Beatty; Peter J. Duggan; Bradley D. Smith","Transport of Alkali Halides through a Liquid Organic Membrane Containing a Ditopic Salt-Binding Receptor","Inorganic Chemistry","2004","43","","5902","5907","10.1021/ic0494859","","","0.71073","MoKα","","0.0454","0.0395","","","0.1148","0.124","","","","","","1.081","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311615","8.6649","0.0006","29.681","0.002","15.4372","0.001","90","","100.249","0.001","90","","3906.8","0.5","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 I N4 Na O6 -","- C38 H50 I N4 Na O6 -","- C152 H200 I4 N16 Na4 O24 -","4","1","","Joseph M. Mahoney; Gayathri U. Nawaratna; Alicia M. Beatty; Peter J. Duggan; Bradley D. Smith","Transport of Alkali Halides through a Liquid Organic Membrane Containing a Ditopic Salt-Binding Receptor","Inorganic Chemistry","2004","43","","5902","5907","10.1021/ic0494859","","","0.71073","MoKα","","0.0754","0.0528","","","0.1526","0.1695","","","","","","1.026","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311616","26.719","0.003","9.0509","0.0008","11.7738","0.0012","90","","112.842","0.006","90","","2624","0.5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 N2 Pb S2 -","- C10 H20 N2 Pb S2 -","- C80 H160 N16 Pb8 S16 -","8","1","","Melissa L. Golden; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Accommodation of the Irregular Coordination Geometry of Lead(II) by a Square Planar N2S2 Ligand and Its Preference for Zinc(II)","Inorganic Chemistry","2004","43","","5798","5800","10.1021/ic049489d","","","1.54184","CuKα","","0.0859","0.0596","","","0.1424","0.1549","","","","","","1.006","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311617","9.33","0.02","28.72","0.08","10.81","0.02","90","","92.19","0.08","90","","2895","11","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H21.5 Cl8 Fe N4.5 O4.5 -","- C27.5 H21.5 Cl8 Fe N4.5 O4.5 -","- C110 H86 Cl32 Fe4 N18 O18 -","4","1","","Nizamuddin Shaikh; Sanchita Goswami; Anangamohan Panja; Xin-Yi Wang; Song Gao; Ray J. Butcher; Pradyot Banerjee","New Route to the Mixed Valence Semiquinone-Catecholate Based Mononuclear FeIII and Catecholate Based Dinuclear MnIII Complexes: First Experimental Evidence of Valence Tautomerism in an Iron Complex","Inorganic Chemistry","2004","43","","5908","5918","10.1021/ic049579i","","","0.71073","MoKα","","0.0923","0.0777","","","0.1986","0.2139","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311618","21.061","0.006","15.918","0.005","18.498","0.003","90","","114.986","0.006","90","","5621","3","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H17.5 Cl8 Mn N3 O5 -","- C22.5 H17.5 Cl8 Mn N3 O5 -","- C180 H140 Cl64 Mn8 N24 O40 -","8","1","","Nizamuddin Shaikh; Sanchita Goswami; Anangamohan Panja; Xin-Yi Wang; Song Gao; Ray J. Butcher; Pradyot Banerjee","New Route to the Mixed Valence Semiquinone-Catecholate Based Mononuclear FeIII and Catecholate Based Dinuclear MnIII Complexes: First Experimental Evidence of Valence Tautomerism in an Iron Complex","Inorganic Chemistry","2004","43","","5908","5918","10.1021/ic049579i","","","0.71073","MoKα","","0.0564","0.0348","","","0.0715","0.0779","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311619","8.572","0.003","10.327","0.005","8.874","0.003","90","","103.08","0.02","90","","765.2","0.5","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C3 H18 N9 O8 Ta -","- C3 H18 N9 O8 Ta -","- C6 H36 N18 O16 Ta2 -","2","1","","Daisy Bayot; Bernard Tinant; Michel Devillers","Spectroscopic and Structural Characterizations of Novel Water-Soluble Tetraperoxo and Diperoxo[polyaminocarboxylato bis(N-oxido)]tantalate(V) Complexes","Inorganic Chemistry","2004","43","","5999","6005","10.1021/ic049639k","","","0.71069","MoKα","","0.0349","0.0346","","","0.1019","0.1026","","","","","","1.154","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311620","11.091","0.003","11.436","0.003","11.762","0.003","99.79","","102.85","","93.66","","1425.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H36 N11 O17.68 Ta -","- C13 H30 N11 O17.684 Ta -","- C26 H60 N22 O35.368 Ta2 -","2","1","","Daisy Bayot; Bernard Tinant; Michel Devillers","Spectroscopic and Structural Characterizations of Novel Water-Soluble Tetraperoxo and Diperoxo[polyaminocarboxylato bis(N-oxido)]tantalate(V) Complexes","Inorganic Chemistry","2004","43","","5999","6005","10.1021/ic049639k","","","0.71069","MoKα","","0.0386","0.0381","","","0.1003","0.1013","","","","","","1.139","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311621","7.878","0.002","13.391","0.003","5.9288","0.0009","96.37","0.01","98.09","0.02","105.1","0.02","590.7","0.2","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N4 Ni S8 -","- C20 H12 N4 Ni S8 -","- C20 H12 N4 Ni S8 -","1","0.5","","Hideyasu Nakajima; Mao Katsuhara; Minoru Ashizawa; Tadashi Kawamoto; Takehiko Mori","Ferromagnetic Anomaly Associated with the Antiferromagnetic Transitions in (Donor)[Ni(mnt)2]-Type Charge-Transfer Salts","Inorganic Chemistry","2004","43","","6075","6082","10.1021/ic049670m","","","0.7107","MoKα","","","0.0437","","","","0.1335","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311622","9.071","0.008","24.69","0.04","6.081","0.004","89.39","0.08","106.44","0.06","90.4","0.1","1306","3","293.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 N4 Ni S8 Se2 -","- C20 H12 N4 Ni S8 Se2 -","- C40 H24 N8 Ni2 S16 Se4 -","2","1","","Hideyasu Nakajima; Mao Katsuhara; Minoru Ashizawa; Tadashi Kawamoto; Takehiko Mori","Ferromagnetic Anomaly Associated with the Antiferromagnetic Transitions in (Donor)[Ni(mnt)2]-Type Charge-Transfer Salts","Inorganic Chemistry","2004","43","","6075","6082","10.1021/ic049670m","","","0.7107","MoKα","","","0.0825","","","","0.2266","","","","","","1.267","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311623","13.555","0.006","15.445","0.007","10.352","0.005","106.19","0.05","102.39","0.05","109.14","0.04","1851.1","1.9","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H16 N4 Ni S12 -","- C36 H16 N4 Ni S12 -","- C72 H32 N8 Ni2 S24 -","2","1","","Hideyasu Nakajima; Mao Katsuhara; Minoru Ashizawa; Tadashi Kawamoto; Takehiko Mori","Ferromagnetic Anomaly Associated with the Antiferromagnetic Transitions in (Donor)[Ni(mnt)2]-Type Charge-Transfer Salts","Inorganic Chemistry","2004","43","","6075","6082","10.1021/ic049670m","","","0.7107","MoKα","","","0.0671","","","","0.157","","","","","","1.682","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311624","25.09","0.006","25.09","0.006","25.09","0.006","90","","90","","90","","15794","7","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Al192 Bi97.05 O565.18 Sr132 -","- Al192 Bi97.024 O565.12 Sr132 -","- Al192 Bi97.024 O565.12 Sr132 -","1","0.0104167","","S. Boudin; B. Mellenne; R. Retoux; M. Hervieu; B. Raveau","New Aluminate with a Tetrahedral Structure Closely Related to the C84 Fullerene","Inorganic Chemistry","2004","43","","5954","5960","10.1021/ic049679o","","","0.71073","MoKα","","0.0817","0.04","","","0.0818","0.0934","","","","","","0.944","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311625","16.2442","0.0011","17.4381","0.0012","15.4129","0.0011","90","","90","","90","","4366","0.5","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C19 H20 Cl Cu F6 N4 O P -","- C19 H20 Cl Cu F6 N4 O P -","- C152 H160 Cl8 Cu8 F48 N32 O8 P8 -","8","1","","Baldo Lucchese; Kristi J. Humphreys; Dong-Heon Lee; Christopher D. Incarvito; Roger D. Sommer; Arnold L. Rheingold; Kenneth D. Karlin","Mono-, Bi-, and Trinuclear CuII-Cl Containing Products Based on the Tris(2-pyridylmethyl)amine Chelate Derived from Copper(I) Complex Dechlorination Reactions of Chloroform","Inorganic Chemistry","2004","43","","5987","5998","10.1021/ic0497477","","","0.71073","MoKα","","0.0786","0.0542","","","0.1397","0.1584","","","","","","1.036","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311626","12.4806","0.0011","13.9424","0.0011","27.153","0.002","90","","98.058","0.002","90","","4678.2","0.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 Cl2 Cu2 F12 N9 O P2 -","- C40 H37 Cl2 Cu2 F12 N9 O P2 -","- C160 H148 Cl8 Cu8 F48 N36 O4 P8 -","4","1","","Baldo Lucchese; Kristi J. Humphreys; Dong-Heon Lee; Christopher D. Incarvito; Roger D. Sommer; Arnold L. Rheingold; Kenneth D. Karlin","Mono-, Bi-, and Trinuclear CuII-Cl Containing Products Based on the Tris(2-pyridylmethyl)amine Chelate Derived from Copper(I) Complex Dechlorination Reactions of Chloroform","Inorganic Chemistry","2004","43","","5987","5998","10.1021/ic0497477","","","0.71073","MoKα","","0.0989","0.059","","","0.1426","0.164","","","","","","1.096","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311627","17.7763","0.0016","14.4071","0.0013","30.088","0.002","90","","96.312","0.002","90","","7659","1.1","173","2","173","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C59 H60 Cl3 Cu3 F18 N14 P3 -","- C59 H60 Cl3 Cu3 F18 N14 P3 -","- C236 H240 Cl12 Cu12 F72 N56 P12 -","4","2","","Baldo Lucchese; Kristi J. Humphreys; Dong-Heon Lee; Christopher D. Incarvito; Roger D. Sommer; Arnold L. Rheingold; Kenneth D. Karlin","Mono-, Bi-, and Trinuclear CuII-Cl Containing Products Based on the Tris(2-pyridylmethyl)amine Chelate Derived from Copper(I) Complex Dechlorination Reactions of Chloroform","Inorganic Chemistry","2004","43","","5987","5998","10.1021/ic0497477","","","0.71073","MoKα","","0.1609","0.1088","","","0.2574","0.2815","","","","","","1.542","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311628","9.063","0.0014","9.3867","0.0015","29.189","0.004","90","","90.148","0.003","90","","2483.1","0.6","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C42 H44 Cl2 Cu2 F12 N10 O P2 -","- C42 H44 Cl2 Cu2 F12 N10 O P2 -","- C84 H88 Cl4 Cu4 F24 N20 O2 P4 -","2","0.5","","Baldo Lucchese; Kristi J. Humphreys; Dong-Heon Lee; Christopher D. Incarvito; Roger D. Sommer; Arnold L. Rheingold; Kenneth D. Karlin","Mono-, Bi-, and Trinuclear CuII-Cl Containing Products Based on the Tris(2-pyridylmethyl)amine Chelate Derived from Copper(I) Complex Dechlorination Reactions of Chloroform","Inorganic Chemistry","2004","43","","5987","5998","10.1021/ic0497477","","","0.71073","MoKα","","0.0738","0.0664","","","0.1763","0.1819","","","","","","1.306","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311629","19.913","0.01","12.094","0.01","11.754","0.01","90","","90","","90","","2831","4","293","2","295","2","","","","","","","","6","I b a 2","I 2 -2c","45","Aqua Methyl Cobalt ethanediamine","","","- C5 H21 Co N4 O7 S2 -","- C5 H19 Co N4 O7 S2 -","- C40 H152 Co8 N32 O56 S16 -","8","1","","Basam M. Alzoubi; Günter Liehr; Rudi van Eldik","Mechanistic Elucidation of the Substitution Behavior of Alkyl Cobaloximes in Water and Methanol as Solvents","Inorganic Chemistry","2004","43","","6093","6100","10.1021/ic049761j","","","0.7093","","","0.0664","0.0555","","","0.1349","0.1431","","","","","","1.186","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311630","12.196","0.0003","22.042","0.0011","16.889","0.0006","90","","143.525","0.003","90","","2699","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","TpOs[NH-p-C6H4(N(CH2)5)]Cl2*acetone","TpOs[NH-p-C6H4(N(CH2)5)]Cl2*acetone","","- C23 H31 B Cl2 N8 O Os -","- C23 H31 B Cl2 N8 O Os -","- C92 H124 B4 Cl8 N32 O4 Os4 -","4","1","","Jake D. Soper; Erik Saganic; David Weinberg; David A. Hrovat; Jason B. Benedict; Werner Kaminsky; James M. Mayer","Nucleophilic Aromatic Substitution on Aryl-Amido Ligands Promoted by Oxidizing Osmium(IV) Centers","Inorganic Chemistry","2004","43","","5804","5815","10.1021/ic0498743","","","0.7107","MoKα","","0.114","0.0443","","","0.0761","0.0878","","","","","","0.953","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311631","8.603","0.0003","27.533","0.0011","10.456","0.0003","90","","97.632","0.002","90","","2454.74","0.15","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TpOs[NH-p-C6H4(N(CH2)4)]Cl2*CD3CN","TpOs[NH-p-C6H4(N(CH2)4)]Cl2*CD3CN","","- C21 H26 B Cl2 N9 Os -","- C21 H26 B Cl2 N9 Os -","- C84 H104 B4 Cl8 N36 Os4 -","4","1","","Jake D. Soper; Erik Saganic; David Weinberg; David A. Hrovat; Jason B. Benedict; Werner Kaminsky; James M. Mayer","Nucleophilic Aromatic Substitution on Aryl-Amido Ligands Promoted by Oxidizing Osmium(IV) Centers","Inorganic Chemistry","2004","43","","5804","5815","10.1021/ic0498743","","","0.7107","MoKα","","0.0423","0.0317","","","0.0694","0.0729","","","","","","1.006","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311632","11.865","0.0005","11.932","0.0005","18.691","0.0008","90","","104.236","0.002","90","","2564.88","0.19","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TpOs[NH-(2-naphthyl-1-piperidine)]Cl2","TpOs[NH-(2-naphthyl-1-piperidine)]Cl2","","- C24 H27 B Cl2 N8 Os -","- C24 H27 B Cl2 N8 Os -","- C96 H108 B4 Cl8 N32 Os4 -","4","1","","Jake D. Soper; Erik Saganic; David Weinberg; David A. Hrovat; Jason B. Benedict; Werner Kaminsky; James M. Mayer","Nucleophilic Aromatic Substitution on Aryl-Amido Ligands Promoted by Oxidizing Osmium(IV) Centers","Inorganic Chemistry","2004","43","","5804","5815","10.1021/ic0498743","","","0.71073","MoKα","","0.0916","0.044","","","0.0746","0.0847","","","","","","0.999","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311633","9.2","","16.633","","16.176","","90","","90","","90","","2475.31","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cl2 N4 Pt -","- C10 H8 Cl2 N4 Pt -","- C80 H64 Cl16 N32 Pt8 -","8","1","","Akbey Dogan; Biprajit Sarkar; Axel Klein; Falk Lissner; Thomas Schleid; Jan Fiedler; Stanislav Záliš; Vimal K. Jain; Wolfgang Kaim","Complex Reduction Chemistry of (abpy)PtCl2, abpy = 2,2'-Azobispyridine: Formation of Cyclic [(μ,η2:η1-abpy)PtCl]22+ with a New Coordination Mode for abpy and a Near-Infrared Ligand-to-Ligand Intervalence Charge Transfer Absorption of the One-Electron Reduced State","Inorganic Chemistry","2004","43","","5973","5980","10.1021/ic049941t","","","0.71073","MoKα","","0.0655","0.0432","","","0.0727","0.0792","","","","","","1.147","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311634","10.378","0.002","14.727","0.003","22.318","0.003","90","","93.306","0.014","90","","3405.3","1.1","173","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl6 N8 O2 Pt2 Zn -","- C26 H28 Cl6 N8 O2 Pt2 Zn -","- C104 H112 Cl24 N32 O8 Pt8 Zn4 -","4","1","","Akbey Dogan; Biprajit Sarkar; Axel Klein; Falk Lissner; Thomas Schleid; Jan Fiedler; Stanislav Záliš; Vimal K. Jain; Wolfgang Kaim","Complex Reduction Chemistry of (abpy)PtCl2, abpy = 2,2'-Azobispyridine: Formation of Cyclic [(μ,η2:η1-abpy)PtCl]22+ with a New Coordination Mode for abpy and a Near-Infrared Ligand-to-Ligand Intervalence Charge Transfer Absorption of the One-Electron Reduced State","Inorganic Chemistry","2004","43","","5973","5980","10.1021/ic049941t","","","0.71073","MoKα","","0.0612","0.0363","","","0.0843","0.0898","","","","","","0.68","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311635","17.9189","0.0003","15.5385","0.0003","29.5594","0.0006","90","","90","","90","","8230.3","0.3","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H32 In N5 O10 -","- C28 H32 In N5 O10 -","- C224 H256 In8 N40 O80 -","8","1","","Wen-Yuan Hsieh; Shuang Liu","Synthesis, Characterization, and Structures of Indium In(DTPA-BA2) and Yttrium Y(DTPA-BA2)(CH3OH) Complexes (BA = Benzylamine): Models for 111In- and 90Y-Labeled DTPA-Biomolecule Conjugates","Inorganic Chemistry","2004","43","","6006","6014","10.1021/ic049973g","","","0.71073","MO-Kα","","0.092","0.049","","","0.142","0.15","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311636","10.488","0.0002","30.0779","0.0008","10.8938","0.0003","90","","103.032","0.001","90","","3348.02","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N5 O10 Y -","- C30 H42 N5 O10 Y -","- C120 H168 N20 O40 Y4 -","4","1","","Wen-Yuan Hsieh; Shuang Liu","Synthesis, Characterization, and Structures of Indium In(DTPA-BA2) and Yttrium Y(DTPA-BA2)(CH3OH) Complexes (BA = Benzylamine): Models for 111In- and 90Y-Labeled DTPA-Biomolecule Conjugates","Inorganic Chemistry","2004","43","","6006","6014","10.1021/ic049973g","","","0.71073","MO-Kα","","0.082","0.044","","","0.091","0.099","","","","","","0.917","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311637","23.367","0.005","7.852","0.002","19.576","0.004","90","","102.751","0.015","90","","3503.2","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-(Adeninato-κN^9^)chlorobis(ethane-1,2-diamine)cobalt(III) Chloride Methanol Solvate","","- C10 H24 Cl2 Co N9 O -","- C10 H24 Cl2 Co N9 O -","- C80 H192 Cl16 Co8 N72 O8 -","8","1","","Takayoshi Suzuki; Yoko Hirai; Hideaki Monjushiro; Sumio Kaizaki","Cobalt(III) Complexes of Monodentate N(9)-Bound Adeninate (ade-), [Co(ade-κN9)Cl(en)2]+ (en = 1,2-Diaminoethane): Syntheses, Crystal Structures, and Protonation Behaviors of the Geometrical Isomers","Inorganic Chemistry","2004","43","","6435","6444","10.1021/ic035336z","","","0.71069","MoKα","","0.0666","0.0508","","","0.1357","0.1492","","","","","","1.041","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311638","10.4934","0.0019","12.522","0.002","13.242","0.002","90.847","0.015","95.685","0.015","96.589","0.014","1719.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","cis-Chloro(7H-adenine-κN^9^)bis(ethane-1,2-diamine)cobalt(III) Chloride hemihydrate","","- C9 H22 Cl3 Co N9 O0.5 -","- C9 H21 Cl3 Co N9 O0.5 -","- C36 H84 Cl12 Co4 N36 O2 -","4","2","","Takayoshi Suzuki; Yoko Hirai; Hideaki Monjushiro; Sumio Kaizaki","Cobalt(III) Complexes of Monodentate N(9)-Bound Adeninate (ade-), [Co(ade-κN9)Cl(en)2]+ (en = 1,2-Diaminoethane): Syntheses, Crystal Structures, and Protonation Behaviors of the Geometrical Isomers","Inorganic Chemistry","2004","43","","6435","6444","10.1021/ic035336z","","","0.71069","MoKα","","0.0988","0.0411","","","0.1156","0.1325","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311639","9.432","0.002","14.584","0.002","15.556","0.002","90","","103.835","0.014","90","","2077.7","0.6","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","cis-(1H,7H-adeninium-κN^9^)chlorobis(ethane-1,2-diamine)cobalt(III) Dichloride Tetrafluoroborate Hydrate","","- C9 H24 B Cl3 Co F4 N9 O -","- C9 H22 B Cl3 Co F4 N9 O -","- C36 H88 B4 Cl12 Co4 F16 N36 O4 -","4","1","","Takayoshi Suzuki; Yoko Hirai; Hideaki Monjushiro; Sumio Kaizaki","Cobalt(III) Complexes of Monodentate N(9)-Bound Adeninate (ade-), [Co(ade-κN9)Cl(en)2]+ (en = 1,2-Diaminoethane): Syntheses, Crystal Structures, and Protonation Behaviors of the Geometrical Isomers","Inorganic Chemistry","2004","43","","6435","6444","10.1021/ic035336z","","","0.71069","MoKα","","0.1069","0.0584","","","0.1758","0.2043","","","","","","1.037","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311640","9.248","0.003","17.372","0.004","12.754","0.002","90","","91.004","0.018","90","","2048.7","0.9","296","2","296","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","trans-Chloro(7H-adenine-κN^9^)bis(ethane-1,2-diamine)cobalt(III) Tetrafluoroborate Hydrate","","- C9 H23 B2 Cl Co F8 N9 O -","- C9 H23 B2 Cl Co F8 N9 O -","- C36 H92 B8 Cl4 Co4 F32 N36 O4 -","4","1","","Takayoshi Suzuki; Yoko Hirai; Hideaki Monjushiro; Sumio Kaizaki","Cobalt(III) Complexes of Monodentate N(9)-Bound Adeninate (ade-), [Co(ade-κN9)Cl(en)2]+ (en = 1,2-Diaminoethane): Syntheses, Crystal Structures, and Protonation Behaviors of the Geometrical Isomers","Inorganic Chemistry","2004","43","","6435","6444","10.1021/ic035336z","","","0.71069","MoKα","","0.0613","0.046","","","0.135","0.1441","","","","","","1.063","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311641","13.887","0.002","15.501","0.003","9.288","0.003","90","","90","","90","","1999.4","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-(7H-Adeninato-κN^9^)aquobis(ethane-1,2-diamine)cobalt(III) Hydrogenphosphate Trihydrate","","- C9 H29 Co N9 O8 P -","- C9 H27 Co N9 O8 P -","- C36 H108 Co4 N36 O32 P4 -","4","1","","Takayoshi Suzuki; Yoko Hirai; Hideaki Monjushiro; Sumio Kaizaki","Cobalt(III) Complexes of Monodentate N(9)-Bound Adeninate (ade-), [Co(ade-κN9)Cl(en)2]+ (en = 1,2-Diaminoethane): Syntheses, Crystal Structures, and Protonation Behaviors of the Geometrical Isomers","Inorganic Chemistry","2004","43","","6435","6444","10.1021/ic035336z","","","0.71069","MoKα","","0.0852","0.0478","","","0.1223","0.1388","","","","","","1.055","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311642","12.773","0.003","20.264","0.004","20.711","0.004","90","","107.79","0.03","90","","5104","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 N7 O3.5 Ru S -","- C62 H48 N7 O3.5 Ru S -","- C248 H192 N28 O14 Ru4 S4 -","4","1","","Mi Hee Lim; Stephen J. Lippard","Fluorescence-Based Nitric Oxide Detection by Ruthenium Porphyrin Fluorophore Complexes","Inorganic Chemistry","2004","43","","6366","6370","10.1021/ic035418n","","","0.71073","MoKα","","0.0636","0.0514","","","0.1224","0.1293","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311643","11.241","0.002","15.233","0.003","16.615","0.003","97","0.03","97.9","0.03","103","0.03","2711.2","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H51 Cl3 N6 O3 Ru S2 -","- C62.5 H51 Cl3 N6 O3 Ru S2 -","- C125 H102 Cl6 N12 O6 Ru2 S4 -","2","1","","Mi Hee Lim; Stephen J. Lippard","Fluorescence-Based Nitric Oxide Detection by Ruthenium Porphyrin Fluorophore Complexes","Inorganic Chemistry","2004","43","","6366","6370","10.1021/ic035418n","","","0.71073","MoKα","","0.1321","0.0744","","","0.1489","0.1758","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311644","10.19","0.001","9.942","0.001","15.699","0.002","90","","91.636","0.001","90","","1589.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Mo2 O10 S4 -","- C28 H28 Mo2 O10 S4 -","- C56 H56 Mo4 O20 S8 -","2","0.5","","Matthew J. Byrnes; Malcolm H. Chisholm; Robin J. H. Clark; Judith C. Gallucci; Christopher M. Hadad; Nathan J. Patmore","Thienyl Carboxylate Ligands Bound to and Bridging MM Quadruple Bonds, M = Mo or W: Models for Polythiophenes Incorporating MM Quadruple Bonds","Inorganic Chemistry","2004","43","","6334","6344","10.1021/ic040086n","","","0.71073","MoKα","","0.0271","0.0237","","0.06","0.0584","","","","1.085","1.113","1.113","","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311645","6.7934","0.0015","12.069","0.003","11.895","0.003","90","","91.156","0.004","90","","975.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B4 Ge H4 K2 O11 -","- B4 Ge K2 O11 -","- B16 Ge4 K8 O44 -","4","1","","Hong-Xia Zhang; Jie Zhang; Shou-Tian Zheng; Guo-Ming Wang; Guo-Yu Yang","K2[Ge(B4O9)].2H2O: A Unique 3D Alternating Linkage Mode of a B4O9 Cluster and GeO4 Unit in Borogermanate with Two Pairs of Interweaving Double Helical Channels","Inorganic Chemistry","2004","43","","6148","6150","10.1021/ic049071f","","","0.71073","MoKα","","0.0527","0.0448","","","0.1023","0.1093","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311646","22.747","0.004","8.9247","0.0015","20.813","0.003","89.974","0.003","109.997","0.002","89.691","0.003","3970.4","1.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 F12 N6 P2 Ru -","- C38 H34 F12 N6 P2 Ru -","- C152 H136 F48 N24 P8 Ru4 -","4","2","","John M. Villegas; Stanislav R. Stoyanov; Wei Huang; Loranelle L. Lockyear; Joseph H. Reibenspies; D. Paul Rillema","Synthesis, Characterization, and Photochemical and Computational Investigations of Ru(II) Heterocyclic Complexes Containing 2,6-dimethylphenylisocyanide (CNx) Ligand","Inorganic Chemistry","2004","43","","6383","6396","10.1021/ic049099r","","","0.71073","MoKα","","0.0995","0.0675","","","0.1448","0.1565","","","","","","1.176","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311647","13.1174","0.001","5.3587","0.001","16.1769","0.001","90","","108.081","0.01","90","","1081","0.2","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Na8BaPb6","","","- Ba Na8 Pb6 -","- Ba Na8 Pb6 -","- Ba2 Na16 Pb12 -","2","0.5","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic Rings: Cyclopentadienyl Anion Analogues Sn56- and Pb56- in the Zintl Phases Na8BaPb6, Na8BaSn6, and Na8EuSn6","Inorganic Chemistry","2004","43","","6490","6494","10.1021/ic0491837","","","0.71073","MoKα","","0.0541","0.0475","","","0.1293","0.1336","","","","","","1.089","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311648","12.91","0.001","5.3652","0.001","15.8419","0.001","90","","108.246","0.01","90","","1042.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Na8BaSn6","","","- Ba Na8 Sn6 -","- Ba Na8 Sn6 -","- Ba2 Na16 Sn12 -","2","0.5","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic Rings: Cyclopentadienyl Anion Analogues Sn56- and Pb56- in the Zintl Phases Na8BaPb6, Na8BaSn6, and Na8EuSn6","Inorganic Chemistry","2004","43","","6490","6494","10.1021/ic0491837","","","0.71073","MoKα","","0.0552","0.0475","","","0.1333","0.1399","","","","","","1.031","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311649","12.8887","0.001","5.2142","0.001","15.7002","0.001","90","","108.078","0.01","90","","1003","0.2","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Na8EuSn6","","","- Eu Na8 Sn6 -","- Eu Na8 Sn6 -","- Eu2 Na16 Sn12 -","2","0.5","","Iliya Todorov; Slavi C. Sevov","Heavy-Metal Aromatic Rings: Cyclopentadienyl Anion Analogues Sn56- and Pb56- in the Zintl Phases Na8BaPb6, Na8BaSn6, and Na8EuSn6","Inorganic Chemistry","2004","43","","6490","6494","10.1021/ic0491837","","","0.71073","MoKα","","0.0768","0.0558","","","0.1493","0.1607","","","","","","1.066","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311650","11.44","0.01","14.128","0.004","22.247","0.008","94.55","0.04","97.81","0.04","92.84","0.04","3544","4","294.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H77 Cl2 N O12 P5 Ti3 -","- C67 H77 Cl2 N O12 P5 Ti3 -","- C134 H154 Cl4 N2 O24 P10 Ti6 -","2","1","","Sou Kamimura; Tsukasa Matsunaga; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Synthesis, Structures, and Solution Behavior of Di- and Trinuclear Titanium(IV)-Cyclophosphato Complexes","Inorganic Chemistry","2004","43","","6127","6129","10.1021/ic049206h","","","0.7107","MoKα","","","0.051","","","","0.056","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311651","13.021","0.003","19.841","0.004","19.899","0.005","98.981","0.01","105.971","0.013","105.74","0.011","4606.9","1.9","123.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C93 H92 Cl2 N2 O19 P10 Ti2 -","- C93 H92 Cl2 N2 O19 P10 Ti2 -","- C186 H184 Cl4 N4 O38 P20 Ti4 -","2","1","","Sou Kamimura; Tsukasa Matsunaga; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Synthesis, Structures, and Solution Behavior of Di- and Trinuclear Titanium(IV)-Cyclophosphato Complexes","Inorganic Chemistry","2004","43","","6127","6129","10.1021/ic049206h","","","0.7107","MoKα","","","0.053","","","","0.17","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311652","11.2743","0.0009","13.313","0.001","26.442","0.002","79.799","0.003","89.912","0.005","65.218","0.002","3534.6","0.5","103.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C69.5 H79 N O15 P6 Ti3 -","- C69.5 H75 N O15 P6 Ti3 -","- C139 H150 N2 O30 P12 Ti6 -","2","1","","Sou Kamimura; Tsukasa Matsunaga; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii","Synthesis, Structures, and Solution Behavior of Di- and Trinuclear Titanium(IV)-Cyclophosphato Complexes","Inorganic Chemistry","2004","43","","6127","6129","10.1021/ic049206h","","","0.7107","MoKα","","","0.0551","","","","0.1214","","","","","","1.445","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311653","6.147","0.005","18.83","0.013","6.688","0.005","90","","92.997","0.012","90","","773.1","1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Na2 Np O8 -","- C2 Na2 Np O8 -","- C8 Na8 Np4 O32 -","4","1","","Amanda C. Bean; Eduardo Garcia; Brian L. Scott; Wolfgang Runde","Structural Variability in Neptunium(V) Oxalate Compounds: Synthesis and Structural Characterization of Na2NpO2(C2O4)OH.H2O","Inorganic Chemistry","2004","43","","6145","6147","10.1021/ic0492082","","","0.71073","MoKα","","0.0723","0.05","","","0.1196","0.1274","","","","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311654","12.6757","0.0006","13.1765","0.0006","19.4107","0.0009","87.27","0.001","83.758","0.001","64.065","0.001","2898.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H80 F50 Gd2 Hg2 O16 S10 -","- C92 H80 F50 Gd2 Hg2 O16 S10 -","- C92 H80 F50 Gd2 Hg2 O16 S10 -","1","0.5","","Santanu Banerjee; Thomas J. Emge; John G. Brennan","Heterometallic Ln/Hg Compounds with Fluorinated Thiolate Ligands","Inorganic Chemistry","2004","43","","6307","6312","10.1021/ic049215q","","","0.71073","MoKα","","0.0592","0.0464","","","0.1055","0.1102","","","","","","1.02","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311655","12.6352","0.0007","13.1976","0.0007","19.6962","0.001","87.021","0.001","83.928","0.001","63.923","0.001","2933.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H80 F50 Hg2 La2 O16 S10 -","- C92 H80 F50 Hg2 La2 O16 S10 -","- C92 H80 F50 Hg2 La2 O16 S10 -","1","0.5","","Santanu Banerjee; Thomas J. Emge; John G. Brennan","Heterometallic Ln/Hg Compounds with Fluorinated Thiolate Ligands","Inorganic Chemistry","2004","43","","6307","6312","10.1021/ic049215q","","","0.71073","MoKα","","0.064","0.0463","","","0.0978","0.1034","","","","","","1.046","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311656","12.6701","0.0007","13.2133","0.0007","19.6719","0.0011","87.041","0.001","84.001","0.001","63.974","0.001","2943.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H80 Ce2 F50 Hg2 O16 S10 -","- C92 H80 Ce2 F50 Hg2 O16 S10 -","- C92 H80 Ce2 F50 Hg2 O16 S10 -","1","0.5","","Santanu Banerjee; Thomas J. Emge; John G. Brennan","Heterometallic Ln/Hg Compounds with Fluorinated Thiolate Ligands","Inorganic Chemistry","2004","43","","6307","6312","10.1021/ic049215q","","","0.71073","MoKα","","0.0802","0.0557","","","0.1135","0.1243","","","","","","1.007","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311657","12.6591","0.0006","13.1702","0.0007","19.5725","0.001","87.046","0.001","84.107","0.001","64.036","0.001","2918.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H80 F50 Hg2 O16 Pr2 S10 -","- C92 H80 F50 Hg2 O16 Pr2 S10 -","- C92 H80 F50 Hg2 O16 Pr2 S10 -","1","0.5","","Santanu Banerjee; Thomas J. Emge; John G. Brennan","Heterometallic Ln/Hg Compounds with Fluorinated Thiolate Ligands","Inorganic Chemistry","2004","43","","6307","6312","10.1021/ic049215q","","","0.71073","MoKα","","0.047","0.0396","","","0.0917","0.0955","","","","","","1.017","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311658","12.6488","0.0007","13.2025","0.0007","19.5108","0.001","87.149","0.001","84.017","0.001","64.092","0.001","2914.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H80 F50 Hg2 Nd2 O16 S10 -","- C92 H80 F50 Hg2 Nd2 O16 S10 -","- C92 H80 F50 Hg2 Nd2 O16 S10 -","1","0.5","","Santanu Banerjee; Thomas J. Emge; John G. Brennan","Heterometallic Ln/Hg Compounds with Fluorinated Thiolate Ligands","Inorganic Chemistry","2004","43","","6307","6312","10.1021/ic049215q","","","0.71073","MoKα","","0.141","0.0699","","","0.1159","0.137","","","","","","1.014","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311659","12.6489","0.001","13.1545","0.0011","19.4412","0.0016","87.17","0.002","83.838","0.002","64.053","0.001","2891.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H80 F50 Hg2 O16 S10 Sm2 -","- C92 H80 F50 Hg2 O16 S10 Sm2 -","- C92 H80 F50 Hg2 O16 S10 Sm2 -","1","0.5","","Santanu Banerjee; Thomas J. Emge; John G. Brennan","Heterometallic Ln/Hg Compounds with Fluorinated Thiolate Ligands","Inorganic Chemistry","2004","43","","6307","6312","10.1021/ic049215q","","","0.71073","MoKα","","0.0986","0.058","","","0.1286","0.1474","","","","","","1.019","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311660","7.06228","0.00009","8.3378","0.0001","8.34652","0.0001","90","","93.5772","0.0013","90","","490.518","0.01","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Lithium Beryllium Deuteride","","- Be D4 Li2 -","- Be D4 Li2 -","- Be8 D32 Li16 -","8","2","","Boris M. Bulychev; Roman V. Shpanchenko; Evgeny V. Antipov; Denis V. Sheptyakov; Svetlana N. Bushmeleva; Anatoly M. Balagurov","Synthesis and Crystal Structure of Lithium Beryllium Deuteride Li2BeD4","Inorganic Chemistry","2004","43","","6371","6376","10.1021/ic049267f","powder diffraction","","","","","","","","","","","","","1.56","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4311661","9.4964","0.0005","21.386","0.003","25.994","0.002","90","","101.057","0.0009","90","","5181.1","0.9","120","2","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl6 N4 O16 Zn3 -","- C43 H48 Cl6 N4 O16 Zn3 -","- C172 H192 Cl24 N16 O64 Zn12 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Cooperative Formation of Trinuclear Zinc(II) Complexes via Complexation of a Tetradentate Oxime Chelate Ligand, Salamo, and Zinc(II) Acetate","Inorganic Chemistry","2004","43","","6142","6144","10.1021/ic049282k","","","0.71069","MoKα","","0.0764","0.0528","","","0.1264","0.1462","","","","","","1.032","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4311662","8.332","0.0018","20.42","0.004","10.32","0.003","90","","95.253","0.017","90","","1748.5","0.7","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[Zn3(salamo)2(OAc)2]","","","- C36 H34 N4 O12 Zn3 -","- C36 H34 N4 O12 Zn3 -","- C72 H68 N8 O24 Zn6 -","2","0.5","","Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima","Cooperative Formation of Trinuclear Zinc(II) Complexes via Complexation of a Tetradentate Oxime Chelate Ligand, Salamo, and Zinc(II) Acetate","Inorganic Chemistry","2004","43","","6142","6144","10.1021/ic049282k","","","0.71069","MoKα","","0.0707","0.0587","","","0.1379","0.1474","","","","","","1.039","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311663","11.84","0.0006","12.3247","0.0006","13.7362","0.0006","92.615","0.001","112.675","0.001","109.04","0.001","1714.25","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 Cd3 N32 O14 -","- C48 H80 Cd3 N32 O14 -","- C48 H80 Cd3 N32 O14 -","1","0.5","","Jun Tao; Zhi-Jie Ma; Rong-Bin Huang; Lan-Sun Zheng","Synthesis and Characterization of a Tetrazolate-Bridged Coordination Framework Encapsulating D2h-Symmetric Cyclic (H2O)4 Cluster Arrays","Inorganic Chemistry","2004","43","","6133","6135","10.1021/ic0492946","","","0.71073","MoKα","","0.036","0.0317","","","0.0805","0.0823","","","","","","1.061","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311664","3.6982","0.0003","12.4327","0.001","11.6718","0.0009","90","","92.97","0.001","90","","535.93","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N4 O -","- C4 H5 N4 O -","- C16 H20 N16 O4 -","4","1","","Jun Tao; Zhi-Jie Ma; Rong-Bin Huang; Lan-Sun Zheng","Synthesis and Characterization of a Tetrazolate-Bridged Coordination Framework Encapsulating D2h-Symmetric Cyclic (H2O)4 Cluster Arrays","Inorganic Chemistry","2004","43","","6133","6135","10.1021/ic0492946","","","0.71073","MoKα","","0.0423","0.0402","","","0.1134","0.1159","","","","","","1.08","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311665","12.7201","0.0005","14.1821","0.0005","15.589","0.0004","103.511","0.0019","91.1155","0.002","109.13","0.0016","2569.23","0.16","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Cyclobis[(1,8-bis(4-pyridylethynyl)anthracene(Mn(II)-diacetate)]","","- C64 H44 Mn2 N4 O8 -","- C64 H44 Mn2 N4 O8 -","- C128 H88 Mn4 N8 O16 -","2","1","","Partha Sarathi Mukherjee; Kil Sik Min; Atta M. Arif; Peter J. Stang","Synthesis and Crystal Structure of Two New Discrete, Neutral Complexes of Manganese and Zinc Using a Rigid Organic Clip","Inorganic Chemistry","2004","43","","6345","6350","10.1021/ic0493088","","","0.71073","MoKα","","0.1621","0.069","","","0.1324","0.1717","","","","","","1.018","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311666","9.5817","0.0003","12.7255","0.0003","12.9526","0.0005","95.8816","0.0018","106.657","0.0013","100.075","0.0017","1470.11","0.08","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","yclobis[(1,8-bis(4-pyridylethynyl)anthracene(Zn(II)-diacetate)]","","- C68 H52 N4 O14 Zn4 -","- C68 H52 N4 O14 Zn4 -","- C68 H52 N4 O14 Zn4 -","1","0.5","","Partha Sarathi Mukherjee; Kil Sik Min; Atta M. Arif; Peter J. Stang","Synthesis and Crystal Structure of Two New Discrete, Neutral Complexes of Manganese and Zinc Using a Rigid Organic Clip","Inorganic Chemistry","2004","43","","6345","6350","10.1021/ic0493088","","","0.71073","MoKα","","0.0504","0.0369","","","0.0834","0.0916","","","","","","1.027","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311667","13.8169","0.0002","12.2289","0.0002","22.3563","0.0004","90","","107.86","0.0001","90","","3595.4","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Eu(H2O)6(4,4'-dipyridine-N,N'-dioxide)0.5(p-sulfonatocalix[6]arene)0.5].4H2O","","","- C26 H39 Eu N O23 S3 -","- C26 H19 Eu N O23 S3 -","- C104 H76 Eu4 N4 O92 S12 -","4","1","","Scott J. Dalgarno; Michaele J. Hardie; Jerry L. Atwood; Colin L. Raston","Bilayers, Corrugated Bilayers, and Coordination Polymers of p-Sulfonatocalix[6]arene","Inorganic Chemistry","2004","43","","6351","6356","10.1021/ic0493595","","","0.71073","MoKα","","0.0552","0.0362","","","0.0815","0.0882","","","","","","1.018","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311668","12.3959","0.0003","17.6908","0.0003","20.1012","0.0004","66.239","0.0001","72.268","0.0001","71.242","0.0001","3741.43","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(Ni(H2O)6)3]6+[[pyridine-N-oxide(p-sulfonatocalix[6]arene)0.5]2]6-.7H2O","","","- C52 H90 N2 Ni3 O51 S6 -","- C52 H40 N2 Ni3 O51 S6 -","- C104 H80 N4 Ni6 O102 S12 -","2","1","","Scott J. Dalgarno; Michaele J. Hardie; Jerry L. Atwood; Colin L. Raston","Bilayers, Corrugated Bilayers, and Coordination Polymers of p-Sulfonatocalix[6]arene","Inorganic Chemistry","2004","43","","6351","6356","10.1021/ic0493595","","","0.71073","MoKα","","0.0939","0.0651","","","0.1741","0.1956","","","","","","1.024","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311669","17.2709","0.0002","18.4511","0.0003","11.9992","0.0003","90","","108.716","0.001","90","","3621.55","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[La(H2O)4(pyridine-N-dioxide)0.5(p-sulfonatocalix[6]-arene)0.5].3H2O","","","- C26 H39 La N O23 S3 -","- C26 H20 La N O23 S3 -","- C104 H80 La4 N4 O92 S12 -","4","1","","Scott J. Dalgarno; Michaele J. Hardie; Jerry L. Atwood; Colin L. Raston","Bilayers, Corrugated Bilayers, and Coordination Polymers of p-Sulfonatocalix[6]arene","Inorganic Chemistry","2004","43","","6351","6356","10.1021/ic0493595","","","0.71073","MoKα","","0.0734","0.0646","","","0.1573","0.1618","","","","","","1.14","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311670","12.4511","0.0009","10.8309","0.0008","19.5721","0.0015","90","","95.142","0.002","90","","2628.8","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cl4 N2 O P Re -","- C25 H23 Cl4 N2 O P Re -","- C100 H92 Cl16 N8 O4 P4 Re4 -","4","1","","Lihui Wei; John W. Babich; Jon Zubieta","Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene","Inorganic Chemistry","2004","43","","6445","6454","10.1021/ic049372p","","","0.71073","MoKα","","0.0774","0.0571","","","0.087","0.106","","","","","","0.971","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311671","8.5464","0.0005","16.6659","0.001","21.5108","0.0012","90","","90","","90","","3063.9","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl2 N4 Re -","- C14 H16 Cl2 N4 Re -","- C112 H128 Cl16 N32 Re8 -","8","1","","Lihui Wei; John W. Babich; Jon Zubieta","Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene","Inorganic Chemistry","2004","43","","6445","6454","10.1021/ic049372p","","","0.71073","MoKα","","0.0903","0.0462","","","0.0748","0.0859","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311672","9.8825","0.0008","15.6832","0.0014","20.8231","0.0018","90.885","0.002","98.274","0.002","94.655","0.002","3182","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 Br8 N4 O2 P2 Re2 -","- C54 H54 Br8 N4 O2 P2 Re2 -","- C108 H108 Br16 N8 O4 P4 Re4 -","2","1","","Lihui Wei; John W. Babich; Jon Zubieta","Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene","Inorganic Chemistry","2004","43","","6445","6454","10.1021/ic049372p","","","0.71073","MoKα","","0.0968","0.0738","","","0.1156","0.1201","","","","","","0.987","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311673","10.648","0.004","12.033","0.004","15.184","0.005","93.256","0.007","92.112","0.007","95.955","0.007","1930.1","1.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H38 Br2 Cl N2 P2 Re -","- C43 H38 Br2 Cl N2 P2 Re -","- C86 H76 Br4 Cl2 N4 P4 Re2 -","2","1","","Lihui Wei; John W. Babich; Jon Zubieta","Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene","Inorganic Chemistry","2004","43","","6445","6454","10.1021/ic049372p","","","0.71073","MoKα","","0.097","0.0622","","","0.1476","0.1685","","","","","","1.047","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311674","16.2579","0.001","10.2434","0.0007","18.21","0.0012","90","","113.925","0.001","90","","2772.1","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Br3 Cl2 N2 P Re -","- C26 H25 Br3 Cl2 N2 P Re -","- C104 H100 Br12 Cl8 N8 P4 Re4 -","4","1","","Lihui Wei; John W. Babich; Jon Zubieta","Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene","Inorganic Chemistry","2004","43","","6445","6454","10.1021/ic049372p","","","0.71073","MoKα","","0.0703","0.0483","","","0.09","0.1053","","","","","","1.083","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311675","14.204","0.002","16.381","0.003","11.878","0.002","96.13","0.01","92.42","0.01","64.94","0.01","2489.2","0.7","294.2","","294.2","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl3.86 O0.14 P2 Re -","- C36 H30 Cl4 O0.666667 P2 Re -","- C108 H90 Cl12 O2 P6 Re3 -","3","1.5","","Lihui Wei; John W. Babich; Jon Zubieta","Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene","Inorganic Chemistry","2004","43","","6445","6454","10.1021/ic049372p","","","0.71069","MoKα","","","0.032","","","0.025","","","","","1.24","1.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311676","9.2986","0.0006","9.6486","0.0006","10.3467","0.0007","102.095","0.001","108.216","0.001","93.876","0.001","853.3","0.1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl2 O P Re0.5 -","- C18 H15 Cl2 O P Re0.5 -","- C36 H30 Cl4 O2 P2 Re -","2","1","","Lihui Wei; John W. Babich; Jon Zubieta","Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene","Inorganic Chemistry","2004","43","","6445","6454","10.1021/ic049372p","","","0.71073","MoKα","","0.0669","0.0532","","","0.1013","0.1084","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311677","10.318","0.003","10.406","0.003","16.003","0.004","90","","91.144","0.006","90","","1717.9","0.8","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O5 Ru -","- C18 H18 O5 Ru -","- C72 H72 O20 Ru4 -","4","1","","Shuhei Furukawa; Susumu Kitagawa","Neutral Paddlewheel Diruthenium Complexes with Tetracarboxylates of Large π-Conjugated Substituents: Facile One-Pot Synthesis, Crystal Structures, and Electrochemical Studies","Inorganic Chemistry","2004","43","","6464","6472","10.1021/ic0493752","","","0.7107","MoKα","","","0.0469","","","","0.109","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311678","9.462","0.002","10.747","0.002","12.156","0.003","75.787","0.01","85.32","0.01","65.474","0.006","1089.9","0.4","223.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O5 Ru -","- C26 H22 O5 Ru -","- C52 H44 O10 Ru2 -","2","1","","Shuhei Furukawa; Susumu Kitagawa","Neutral Paddlewheel Diruthenium Complexes with Tetracarboxylates of Large π-Conjugated Substituents: Facile One-Pot Synthesis, Crystal Structures, and Electrochemical Studies","Inorganic Chemistry","2004","43","","6464","6472","10.1021/ic0493752","","","0.7107","MoKα","","","0.0276","","","","0.094","","","","","","1.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311679","10.336","0.003","22.802","0.007","22.722","0.007","90","","94.586","0.005","90","","5338","3","223.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C68 H52 O10 Ru2 -","- C68 H52 O10 Ru2 -","- C272 H208 O40 Ru8 -","4","1","","Shuhei Furukawa; Susumu Kitagawa","Neutral Paddlewheel Diruthenium Complexes with Tetracarboxylates of Large π-Conjugated Substituents: Facile One-Pot Synthesis, Crystal Structures, and Electrochemical Studies","Inorganic Chemistry","2004","43","","6464","6472","10.1021/ic0493752","","","0.7107","MoKα","","","0.0293","","","","0.0626","","","","","","0.694","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311680","35.0371","0.0012","9.6461","0.0004","16.8845","0.0005","90","","108.104","0.002","90","","5424","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-ethanediolato(methylamino-N,N-bis(2-methylene-4- methyl-6-tert-butylphenolato)oxotungsten(VI)","","- C27 H39 N O5 W -","- C27 H39 N O5 W -","- C216 H312 N8 O40 W8 -","8","1","","Ari Lehtonen; Reijo Sillanpää","Tungsten(VI) Complexes with Aminobis(phenolato) [O,N,O] Donor Ligands","Inorganic Chemistry","2004","43","","6501","6506","10.1021/ic049448h","","x-ray","0.71073","MoKα","","0.0453","0.0294","","","0.0543","0.0581","","","","","","1.023","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311681","7.6686","0.0003","16.112","0.0012","8.0662","0.0005","90","","93.129","0.004","90","","995.15","0.1","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","trans-dichloro(methylamino-N,N-bis(2-methylene-4,6-di- methylphenolato)oxotungsten(VI)","","- C19 H23 Cl2 N O3 W -","- C19 H24 Cl2 N O3 W -","- C38 H48 Cl4 N2 O6 W2 -","2","0.5","","Ari Lehtonen; Reijo Sillanpää","Tungsten(VI) Complexes with Aminobis(phenolato) [O,N,O] Donor Ligands","Inorganic Chemistry","2004","43","","6501","6506","10.1021/ic049448h","","x-ray","0.71073","MoKα","","0.0521","0.0362","","","0.0663","0.0702","","","","","","1.048","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311682","14.0191","0.0003","15.4816","0.0002","18.299","0.0005","90","","90","","90","","3971.58","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","cis-dichloro(methylamino-N,N-bis(2-methylene-4,6-di- methylphenolato)oxotungsten(VI)","","- C19 H23 Cl2 N O3 W -","- C19 H23 Cl2 N O3 W -","- C152 H184 Cl16 N8 O24 W8 -","8","2","","Ari Lehtonen; Reijo Sillanpää","Tungsten(VI) Complexes with Aminobis(phenolato) [O,N,O] Donor Ligands","Inorganic Chemistry","2004","43","","6501","6506","10.1021/ic049448h","","x-ray","0.71073","MoKα","","0.0522","0.0336","","","0.0582","0.0624","","","","","","1.016","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311683","17.4438","0.0009","7.7968","0.0002","19.9166","0.0012","90","","106.417","0.002","90","","2598.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-dichloro(methylamino-N,N-bis(2-methylene-4-methyl-6-t- butylphenolato)oxotungsten(VI)","","- C25 H35 Cl2 N O3 W -","- C25 H35 Cl2 N O3 W -","- C100 H140 Cl8 N4 O12 W4 -","4","1","","Ari Lehtonen; Reijo Sillanpää","Tungsten(VI) Complexes with Aminobis(phenolato) [O,N,O] Donor Ligands","Inorganic Chemistry","2004","43","","6501","6506","10.1021/ic049448h","","x-ray","0.71073","MoKα","","0.0736","0.0382","","","0.0673","0.0758","","","","","","0.993","","","","has coordinates,has disorder","179155","2020-10-21","18:00:00",""
"4311684","10.0059","0.0007","10.0059","0.0007","10.0059","0.0007","90","","90","","90","","1001.77","0.12","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cu S4 Ti2 -","- Cu S4 Ti2 -","- Cu8 S32 Ti16 -","8","0.0416667","","Navid Soheilnia; Katja M. Kleinke; Enkhtsetseg Dashjav; Heather L. Cuthbert; John E. Greedan; Holger Kleinke","Crystal Structure and Physical Properties of a New CuTi2S4 Modification in Comparison to the Thiospinel","Inorganic Chemistry","2004","43","","6473","6478","10.1021/ic0495113","","","0.71073","MoKα","","0.0225","0.0209","","","0.055","0.0562","","","","","","1.322","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311685","7.0242","0.0004","7.0242","0.0004","34.834","0.004","90","","90","","120","","1488.4","0.2","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu S4 Ti2 -","- Cu S4 Ti2 -","- Cu12 S48 Ti24 -","12","0.333333","","Navid Soheilnia; Katja M. Kleinke; Enkhtsetseg Dashjav; Heather L. Cuthbert; John E. Greedan; Holger Kleinke","Crystal Structure and Physical Properties of a New CuTi2S4 Modification in Comparison to the Thiospinel","Inorganic Chemistry","2004","43","","6473","6478","10.1021/ic0495113","","","0.71073","MoKα","","0.0392","0.0322","","","0.0657","0.0686","","","","","","1.038","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311686","4.8186","0.0015","7.989","0.004","9.982","0.003","90","","90","","90","","384.3","0.3","293","2","293","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- Ba2 Bi3 -","- Ba2 Bi3 -","- Ba4 Bi6 -","2","0.125","","Siméon Ponou; Thomas F. Fässler","Nonclassical Bonding in the Novel Structure of Ba2Bi3 and Unexpected Site Preference in the Coloring Variant Ba2BiSb2","Inorganic Chemistry","2004","43","","6124","6126","10.1021/ic0495719","","","0.71073","MoKα","","0.0898","0.0702","","","0.1959","0.2047","","","","","","1.079","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311687","4.8026","0.001","7.6878","0.0015","9.9","0.002","90","","90","","90","","365.52","0.13","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ba2 Bi Sb2 -","- Ba2 Bi Sb2 -","- Ba4 Bi2 Sb4 -","2","0.125","","Siméon Ponou; Thomas F. Fässler","Nonclassical Bonding in the Novel Structure of Ba2Bi3 and Unexpected Site Preference in the Coloring Variant Ba2BiSb2","Inorganic Chemistry","2004","43","","6124","6126","10.1021/ic0495719","","","0.71073","MoKα","","0.0546","0.0511","","","0.1381","0.1397","","","","","","1.125","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311688","7.822","0.003","14.475","0.003","8.629","0.002","90","","109.17","0.02","90","","922.8","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Bi Cl2 K O2 S -","- C3 H4 Bi Cl2 K O2 S -","- C12 H16 Bi4 Cl8 K4 O8 S4 -","4","1","","Glen G. Briand; Neil Burford; Melanie D. Eelman; Nadia Aumeerally; Luke Chen; T. Stanley Cameron; Katherine N. Robertson","Identification, Isolation, and Characterization of Cysteinate and Thiolactate Complexes of Bismuth","Inorganic Chemistry","2004","43","","6495","6500","10.1021/ic049594n","","","1.54178","CuKα","","0.1233","0.0597","","","0.1565","0.1923","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311689","8.847","0.006","7.434","0.005","9.51","0.006","90","","111.89","0.05","90","","580.4","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H14 Bi N O2 S2 -","- C7 H14 Bi N O2 S2 -","- C14 H28 Bi2 N2 O4 S4 -","2","1","","Glen G. Briand; Neil Burford; Melanie D. Eelman; Nadia Aumeerally; Luke Chen; T. Stanley Cameron; Katherine N. Robertson","Identification, Isolation, and Characterization of Cysteinate and Thiolactate Complexes of Bismuth","Inorganic Chemistry","2004","43","","6495","6500","10.1021/ic049594n","","","1.54178","CuKα","","0.0497","0.0484","","","0.1258","0.1272","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311690","9.219","0.002","13.422","0.004","8.755","0.002","93.39","0.03","110.01","0.02","101.34","0.02","988.6","0.5","143","2","143","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H16 Bi N5 O9 S -","- C15 H16 Bi N5 O9 S -","- C30 H32 Bi2 N10 O18 S2 -","2","2","","Glen G. Briand; Neil Burford; Melanie D. Eelman; Nadia Aumeerally; Luke Chen; T. Stanley Cameron; Katherine N. Robertson","Identification, Isolation, and Characterization of Cysteinate and Thiolactate Complexes of Bismuth","Inorganic Chemistry","2004","43","","6495","6500","10.1021/ic049594n","","","0.7107","MoKα","","0.1436","0.0608","","","0.1528","0.1977","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311691","8.8514","0.0004","16.303","0.0007","15.0816","0.0007","90","","97.539","0.001","90","","2157.53","0.17","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7.5 H19 Ga3 N O16.5 P4 -","- C7.5 Ga3 N O16.5 P4 -","- C30 Ga12 N4 O66 P16 -","4","1","","Chia-Hui Lin; Kwang-Hwa Lii","Synthesis and Characterization of the First Organically Templated Metal Oxalatophosphonate: (C3H12N2)0.5[Ga3(C2O4)(CH3PO3)4].0.5H2O","Inorganic Chemistry","2004","43","","6403","6407","10.1021/ic049598s","","","0.71073","MoKα","","0.0506","0.0402","","","0.1013","0.1042","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311692","15.4413","0.0007","15.441","","7.6252","0.0003","90","","90","","120","","1574.49","0.09","296","2","296","2","","","","","","","","6","P 3","P 3","143","Ammonium ferrous titanium(IV)citrate","","","- C36 H71 Fe N5 O51 Ti2 -","- C36 H71 Fe N5 O51 Ti2 -","- C36 H71 Fe N5 O51 Ti2 -","1","0.333333","","Yuan-Fu Deng; Zhao-Hui Zhou; Hui-Lin Wan","pH-Dependent Isolations and Spectroscopic, Structural, and Thermal Studies of Titanium Citrate Complexes","Inorganic Chemistry","2004","43","","6266","6273","10.1021/ic0496018","","","0.71073","MoKα","","0.0617","0.0518","","","0.1244","0.1304","","","","","","0.989","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311693","11.1605","0.0011","10.4522","0.001","26.816","0.003","90","","91.311","0.002","90","","3127.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dibarium titanium(IV)citrate octahydrate","","","- C18 H32 Ba2 O29 Ti -","- C18 H32 Ba2 O29 Ti -","- C72 H128 Ba8 O116 Ti4 -","4","1","","Yuan-Fu Deng; Zhao-Hui Zhou; Hui-Lin Wan","pH-Dependent Isolations and Spectroscopic, Structural, and Thermal Studies of Titanium Citrate Complexes","Inorganic Chemistry","2004","43","","6266","6273","10.1021/ic0496018","","","0.71073","MoKα","","0.0847","0.0595","","","0.1057","0.1138","","","","","","1.1","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311694","14.7993","0.0006","14.799","","9.4457","0.0004","90","","90","","120","","1791.59","0.11","296","2","296","2","","","","","","","","6","P -3","-P 3","147","Ammonium barium titanium(IV) citrate","","","- C36 H85 Ba3 N7 O57 Ti2 -","- C36 H63 Ba3 N7.02 O57 Ti2 -","- C36 H63 Ba3 N7.02 O57 Ti2 -","1","0.166667","","Yuan-Fu Deng; Zhao-Hui Zhou; Hui-Lin Wan","pH-Dependent Isolations and Spectroscopic, Structural, and Thermal Studies of Titanium Citrate Complexes","Inorganic Chemistry","2004","43","","6266","6273","10.1021/ic0496018","","","0.71073","MoKα","","0.0448","0.0426","","","0.1171","0.1191","","","","","","1.099","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311695","23.79","0.01","15.887","0.007","17.773","0.008","90","","90","","90","","6717","5","293.2","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H44 N4 O14 Zn2 -","- C40 H44 N4 O14 Zn2 -","- C160 H176 N16 O56 Zn8 -","4","0.5","","Mitsuru Kondo; Yasuhiko Irie; Yusuke Shimizu; Makoto Miyazawa; Hiroyuki Kawaguchi; Akira Nakamura; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida","Dynamic Coordination Polymers with 4,4'-Oxybis(benzoate): Reversible Transformations of Nano- and Nonporous Coordination Frameworks Responding to Present Solvents","Inorganic Chemistry","2004","43","","6139","6141","10.1021/ic0496166","","","0.7107","MoKα","","","0.0596","","","","0.0633","","","","","","1.187","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311696","7.391","0.006","6.273","0.005","14.256","0.011","90","","103.572","0.01","90","","642.5","0.9","293.1","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C14 H10 O6 Zn -","- C14 H8 O6 Zn -","- C28 H16 O12 Zn2 -","2","0.5","","Mitsuru Kondo; Yasuhiko Irie; Yusuke Shimizu; Makoto Miyazawa; Hiroyuki Kawaguchi; Akira Nakamura; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida","Dynamic Coordination Polymers with 4,4'-Oxybis(benzoate): Reversible Transformations of Nano- and Nonporous Coordination Frameworks Responding to Present Solvents","Inorganic Chemistry","2004","43","","6139","6141","10.1021/ic0496166","","","0.7107","MoKα","","","0.057","","","","0.065","","","","","","2.632","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311697","27.576","0.003","29.345","0.003","15.266","0.002","90","","118.688","0.004","90","","10837","2","293","2","293","2","","","","","","","selfmade","6","C 1 2/c 1","-C 2yc","15","Zr[ETAM]4 - potassium salt","","","- C56 H48 K4 N8 O16 Zr -","- C38.5 H25.5 K2 N4 O12.5 Zr0.5 -","- C308 H204 K16 N32 O100 Zr4 -","8","1","","Christine J. Gramer; Kenneth N. Raymond","Characterization of 2,3-Dihydroxyterephthalamides as M(IV) Chelators1","Inorganic Chemistry","2004","43","","6397","6402","10.1021/ic0496267","","","0.71073","MoKα","","0.233","0.111","","0.3971","0.2969","","","","1.016","1.165","1.165","","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311698","13.757","0.0003","13.9293","0.0003","26.9124","0.0006","99.941","0.001","94.972","0.001","103.16","0.001","4903.42","0.19","149.2","","149.2","","","","","","","","selfmade","5","P -1","-P 1","2","Th[ETAM]4 - trimethylbenzylammonium salt","","","- C88 H120 N12 O16 Th -","- C48 H56 N8 O16 Th -","- C96 H112 N16 O32 Th2 -","2","1","","Christine J. Gramer; Kenneth N. Raymond","Characterization of 2,3-Dihydroxyterephthalamides as M(IV) Chelators","Inorganic Chemistry","2004","43","","6397","6402","10.1021/ic0496267","","","0.7107","MoKα","","0.0774","0.0522","","0.0637","0.0596","0.0596","","","","","","1.577","","","","has coordinates","189749","2020-10-21","18:00:00",""
"4311699","18.2603","0.0009","18.5002","0.0009","19.675","0.001","90","0.001","117.298","0.001","90","0.001","5906.4","0.5","156.2","","156.2","","","","","","","","selfmade","5","P 1 21/c 1","-P 2ybc","14","Th[ETAM] dimer - trimethylammonium salt","","","- C64 H104 N12 O16 Th -","- C18 N4 O18 Th2 -","- C72 N16 O72 Th8 -","4","1","","Christine J. Gramer; Kenneth N. Raymond","Characterization of 2,3-Dihydroxyterephthalamides as M(IV) Chelators1","Inorganic Chemistry","2004","43","","6397","6402","10.1021/ic0496267","","","0.7107","MoKα","","0","0.032","","0","0.0299","0.0299","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311700","17.25","0.003","12.404","0.002","19.829","0.004","90","","96.18","0.02","90","","4218.1","1.3","220","2","220","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 B F4 N2 O6 P3 Ru2 -","- C37 H42 B F4 N2 O6 P3 Ru2 -","- C148 H168 B4 F16 N8 O24 P12 Ru8 -","4","1","","Hans-Christian Böttcher; Christoph Wagner; Karl Kirchner","Reaction Properties of the trans-Hyponitrite Complex [Ru2(CO)4(μ-H)(μ-PBut2)(μ-Ph2PCH2PPh2)(μ-η2-ONNO)]","Inorganic Chemistry","2004","43","","6294","6299","10.1021/ic0496424","","","0.71073","MoKα","","0.0343","0.0305","","","0.0809","0.0834","","","","","","1.053","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311701","11.863","0.002","12.561","0.003","14.876","0.003","94.03","0.02","99.15","0.02","98.15","0.02","2156.6","0.8","220","2","220","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H44 B F4 N2 O6 P3 Ru2 -","- C38 H44 B F4 N2 O6 P3 Ru2 -","- C76 H88 B2 F8 N4 O12 P6 Ru4 -","2","1","","Hans-Christian Böttcher; Christoph Wagner; Karl Kirchner","Reaction Properties of the trans-Hyponitrite Complex [Ru2(CO)4(μ-H)(μ-PBut2)(μ-Ph2PCH2PPh2)(μ-η2-ONNO)]","Inorganic Chemistry","2004","43","","6294","6299","10.1021/ic0496424","","","0.71073","MoKα","","0.0441","0.0329","","","0.096","0.1191","","","","","","1.066","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311702","10.051","0.01","10.492","0.011","12.462","0.013","81.857","0.016","77.019","0.016","75.086","0.016","1233","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl2 Cu2 N4 O12 -","- C44 H50 Cl2 Cu2 N4 O12 -","- C44 H50 Cl2 Cu2 N4 O12 -","1","0.5","","Darío Rojas; Ana María García; Andrés Vega; Yanko Moreno; Diego Venegas-Yazigi; María Teresa Garland; Jorge Manzur","Binuclear Copper(II) Oxidation Products from Copper(I) Complexes with Tridentate Ligands. Magnetostructural Characterization","Inorganic Chemistry","2004","43","","6324","6330","10.1021/ic049648t","","","0.71073","MoKα","","0.1067","0.0768","","","0.202","0.2194","","","","","","1.009","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311703","11.7398","0.0016","13.5866","0.0019","14.656","0.002","90","","111.431","0.003","90","","2176.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl2 Cu2 N6 O10 -","- C42 H48 Cl2 Cu2 N6 O10 -","- C84 H96 Cl4 Cu4 N12 O20 -","2","0.5","","Darío Rojas; Ana María García; Andrés Vega; Yanko Moreno; Diego Venegas-Yazigi; María Teresa Garland; Jorge Manzur","Binuclear Copper(II) Oxidation Products from Copper(I) Complexes with Tridentate Ligands. Magnetostructural Characterization","Inorganic Chemistry","2004","43","","6324","6330","10.1021/ic049648t","","","0.71073","MoKα","","0.1446","0.077","","","0.1706","0.1971","","","","","","1.024","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311704","9.907","0.005","12.832","0.006","18.477","0.009","90","","104.449","0.009","90","","2274.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl2 Cu2 N6 O10 -","- C44 H52 Cl2 Cu2 N6 O10 -","- C88 H104 Cl4 Cu4 N12 O20 -","2","0.5","","Darío Rojas; Ana María García; Andrés Vega; Yanko Moreno; Diego Venegas-Yazigi; María Teresa Garland; Jorge Manzur","Binuclear Copper(II) Oxidation Products from Copper(I) Complexes with Tridentate Ligands. Magnetostructural Characterization","Inorganic Chemistry","2004","43","","6324","6330","10.1021/ic049648t","","","0.71073","MoKα","","0.2239","0.0535","","","0.0722","0.096","","","","","","0.63","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311705","16.538","0.004","13.352","0.003","21.929","0.005","90","","97.901","0.004","90","","4796.3","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 Cu2 F6 N6 O11 -","- C41 H36 Cl2 Cu2 F6 N6 O11 -","- C164 H144 Cl8 Cu8 F24 N24 O44 -","4","1","","Darío Rojas; Ana María García; Andrés Vega; Yanko Moreno; Diego Venegas-Yazigi; María Teresa Garland; Jorge Manzur","Binuclear Copper(II) Oxidation Products from Copper(I) Complexes with Tridentate Ligands. Magnetostructural Characterization","Inorganic Chemistry","2004","43","","6324","6330","10.1021/ic049648t","","","0.71073","MoKα","","0.2438","0.0908","","","0.2159","0.2571","","","","","","0.943","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311706","10.0973","0.0009","12.8944","0.0011","18.439","0.0016","90","","103.57","0.001","90","","2333.7","0.4","571","2","571","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Cl2 Cu2 F6 N6 O10 -","- C44 H46 Cl2 Cu2 F6 N6 O10 -","- C88 H92 Cl4 Cu4 F12 N12 O20 -","2","0.5","","Darío Rojas; Ana María García; Andrés Vega; Yanko Moreno; Diego Venegas-Yazigi; María Teresa Garland; Jorge Manzur","Binuclear Copper(II) Oxidation Products from Copper(I) Complexes with Tridentate Ligands. Magnetostructural Characterization","Inorganic Chemistry","2004","43","","6324","6330","10.1021/ic049648t","","","0.71073","MoKα","","0.0692","0.0498","","","0.1325","0.145","","","","","","1.013","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311707","27.9006","0.0019","27.9006","0.0019","14.4587","0.0012","90","","90","","120","","9747.4","1.2","571","2","571","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38.33 H39.33 Cl4 Cu2 N6 O8.33 -","- C39 H38 Cl4 Cu2 N6 O8.51 -","- C351 H342 Cl36 Cu18 N54 O76.59 -","9","0.5","","Darío Rojas; Ana María García; Andrés Vega; Yanko Moreno; Diego Venegas-Yazigi; María Teresa Garland; Jorge Manzur","Binuclear Copper(II) Oxidation Products from Copper(I) Complexes with Tridentate Ligands. Magnetostructural Characterization","Inorganic Chemistry","2004","43","","6324","6330","10.1021/ic049648t","","","0.71073","MoKα","","0.0513","0.0412","","","0.1235","0.1318","","","","","","1.05","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311708","17.43","0.003","9.8244","0.0015","11.9284","0.0019","90","","125.953","0.002","90","","1653.5","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 I2 Mn N3 -","- C15 H11 I2 Mn N3 -","- C60 H44 I8 Mn4 N12 -","4","0.5","","Claire Mantel; Carole Baffert; Isabel Romero; Alain Deronzier; Jacques Pécaut; Marie-Noëlle Collomb; Carole Duboc","Structural Characterization and Electronic Properties Determination by High-Field and High-Frequency EPR of a Series of Five-Coordinated Mn(II) Complexes","Inorganic Chemistry","2004","43","","6455","6463","10.1021/ic049650k","","","0.71073","MoKα","","0.1096","0.0714","","","0.1672","0.177","","","","","","0.981","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311709","17.119","0.006","9.439","0.003","11.612","0.003","90","","126.44","0.02","90","","1509.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Br2 Mn N3 -","- C15 H11 Br2 Mn N3 -","- C60 H44 Br8 Mn4 N12 -","4","0.5","","Claire Mantel; Carole Baffert; Isabel Romero; Alain Deronzier; Jacques Pécaut; Marie-Noëlle Collomb; Carole Duboc","Structural Characterization and Electronic Properties Determination by High-Field and High-Frequency EPR of a Series of Five-Coordinated Mn(II) Complexes","Inorganic Chemistry","2004","43","","6455","6463","10.1021/ic049650k","","","0.71073","MoKα","","0.067","0.0554","","","0.1475","0.152","","","","","","1.121","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311710","10.9854","0.0005","8.2509","0.0004","16.3448","0.0008","90","","93.966","0.001","90","","1477.94","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl2 Mn N3 -","- C15 H11 Cl2 Mn N3 -","- C60 H44 Cl8 Mn4 N12 -","4","1","","Claire Mantel; Carole Baffert; Isabel Romero; Alain Deronzier; Jacques Pécaut; Marie-Noëlle Collomb; Carole Duboc","Structural Characterization and Electronic Properties Determination by High-Field and High-Frequency EPR of a Series of Five-Coordinated Mn(II) Complexes","Inorganic Chemistry","2004","43","","6455","6463","10.1021/ic049650k","","","0.71073","MoKα","","0.0339","0.0279","","","0.0757","0.0787","","","","","","1.04","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311711","13.971","0.002","9.5551","0.0016","14.485","0.002","90","","111.307","0.004","90","","1801.5","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 Mn N5 S2 -","- C17 H11 Mn N5 S2 -","- C68 H44 Mn4 N20 S8 -","4","0.5","","Claire Mantel; Carole Baffert; Isabel Romero; Alain Deronzier; Jacques Pécaut; Marie-Noëlle Collomb; Carole Duboc","Structural Characterization and Electronic Properties Determination by High-Field and High-Frequency EPR of a Series of Five-Coordinated Mn(II) Complexes","Inorganic Chemistry","2004","43","","6455","6463","10.1021/ic049650k","","","0.71073","MoKα","","0.0869","0.0405","","","0.0883","0.096","","","","","","0.84","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311712","14.601","0.003","10.808","0.003","15.685","0.003","90","","116.63","0.02","90","","2212.6","1","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl N6 O4 S Zn -","- C18 H23 Cl N6 O4 S Zn -","- C72 H92 Cl4 N24 O16 S4 Zn4 -","4","1","","Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Patrizia Fornasari; Claudia Giorgi; Barbara Valtancoli","Zn(II) Coordination to Polyamine Macrocycles Containing Dipyridine Units. New Insights into the Activity of Dinuclear Zn(II) Complexes in Phosphate Ester Hydrolysis","Inorganic Chemistry","2004","43","","6255","6265","10.1021/ic049754v","","","0.71069","MoKα","","0.1126","0.0612","","","0.1568","0.1844","","","","","","0.995","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311713","11.375","0.004","7.919","0.004","17.335","0.005","84.12","0.03","76.531","0.018","98.94","0.06","1484.4","1.1","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H33 Br3 Cl N7 O5 Zn2 -","- C20 H32 Br3 Cl N7 O5 Zn2 -","- C40 H64 Br6 Cl2 N14 O10 Zn4 -","2","1","","Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Patrizia Fornasari; Claudia Giorgi; Barbara Valtancoli","Zn(II) Coordination to Polyamine Macrocycles Containing Dipyridine Units. New Insights into the Activity of Dinuclear Zn(II) Complexes in Phosphate Ester Hydrolysis","Inorganic Chemistry","2004","43","","6255","6265","10.1021/ic049754v","","","1.5418","CuKα","","0.0599","0.0538","","","0.1475","0.156","","","","","","0.923","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311714","8.378","0.002","11.532","0.004","12.684","0.004","75.57","0.02","75.05","0.03","80.89","0.02","1140.8","0.6","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H50 Cl2 I2 N10 O10 Zn2 -","- C34 H46 Cl2 I2 N10 O10 Zn2 -","- C34 H46 Cl2 I2 N10 O10 Zn2 -","1","0.5","","Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Patrizia Fornasari; Claudia Giorgi; Barbara Valtancoli","Zn(II) Coordination to Polyamine Macrocycles Containing Dipyridine Units. New Insights into the Activity of Dinuclear Zn(II) Complexes in Phosphate Ester Hydrolysis","Inorganic Chemistry","2004","43","","6255","6265","10.1021/ic049754v","","","0.71069","MoKα","","0.1252","0.094","","","0.2378","0.2582","","","","","","1.178","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311715","11.394","0.005","13.395","0.005","16.396","0.005","66.67","0.005","81.07","0.005","83.04","0.005","2265","1.5","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H86 N18 O36 P4 Zn2 -","- C82 H80 N18 O36 P4 Zn2 -","- C82 H80 N18 O36 P4 Zn2 -","1","0.5","","Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Patrizia Fornasari; Claudia Giorgi; Barbara Valtancoli","Zn(II) Coordination to Polyamine Macrocycles Containing Dipyridine Units. New Insights into the Activity of Dinuclear Zn(II) Complexes in Phosphate Ester Hydrolysis","Inorganic Chemistry","2004","43","","6255","6265","10.1021/ic049754v","","","1.5418","CuKα","","0.0809","0.0735","","","0.2042","0.2114","","","","","","1.051","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311716","30.775","0.007","30.775","0.007","14.528","0.007","90","","90","","90","","13759","8","168","2","168","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16.5 H48 O33.5 Ti4 -","- C15.989 H23.663 O33.247 Ti4 -","- C255.824 H378.608 O531.952 Ti64 -","16","1","","Tim Kemmitt; Najeh I. Al-Salim; Graeme J. Gainsford; Andrea Bubendorfer; Mark Waterland","Unprecedented Oxo-Titanium Citrate Complex Precipitated from Aqueous Citrate Solutions, Exhibiting a Novel Bilayered Ti8O10 Structural Core","Inorganic Chemistry","2004","43","","6300","6306","10.1021/ic049760r","","x-ray","0.71073","MoKα","","0.0919","0.0464","","","0.1037","0.118","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4311717","11.6939","0.0004","11.6939","0.0004","33.013","0.002","90","","90","","120","","3909.6","0.3","120","2","120","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C53.5 H43 Cl2 N7 Ni O10.5 -","- C55 H47 Cl2 N8 Ni O13 -","- C165 H141 Cl6 N24 Ni3 O39 -","3","0.5","","Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine","Inorganic Chemistry","2004","43","","6168","6176","10.1021/ic049910y","","","0.71073","MoKα","","0.0855","0.0734","","","0.2043","0.213","","","","","","1.036","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311718","11.6478","0.0007","12.4334","0.0007","13.4116","0.0008","112.265","0.001","98.256","0.001","111.902","0.001","1573.24","0.16","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C74 H62 Cl2 Co N8 O10 -","- C74 H62 Cl2 Co N8 O10 -","- C74 H62 Cl2 Co N8 O10 -","1","1","","Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine","Inorganic Chemistry","2004","43","","6168","6176","10.1021/ic049910y","","","0.71073","MoKα","","0.0385","0.0365","","","0.0893","0.0903","","","","","","0.995","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311719","10.0013","0.0013","13.9969","0.0018","12.0911","0.0015","90","","97.52","0.002","90","","1678","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H24 Cl6 Cu2 N4 -","- C33 H24 Cl6 Cu2 N4 -","- C66 H48 Cl12 Cu4 N8 -","2","1","","Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine","Inorganic Chemistry","2004","43","","6168","6176","10.1021/ic049910y","","","0.71073","MoKα","","0.0499","0.045","","","0.1022","0.1052","","","","","","1.083","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311720","18.5934","0.0007","18.5934","0.0007","16.2207","0.0012","90","","90","","120","","4856.4","0.4","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H38 Cu2 N6 O8 S2 -","- C52 H38 Cu2 N6 O8 S2 -","- C156 H114 Cu6 N18 O24 S6 -","3","0.5","","Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine","Inorganic Chemistry","2004","43","","6168","6176","10.1021/ic049910y","","","0.71073","MoKα","","0.0485","0.0443","","","0.1079","0.11","","","","","","1.047","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4311721","17.6884","0.0011","8.5915","0.0005","18.7066","0.0011","90","","115.466","0.001","90","","2566.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 Cu2 N6 O12 S2 -","- C56 H54 Cu2 N6 O12 S2 -","- C112 H108 Cu4 N12 O24 S4 -","2","0.5","","Shane G. Telfer; Tomohiro Sato; Takunori Harada; Reiko Kuroda; Julie Lefebvre; Daniel B. Leznoff","Mono- and Dinuclear Complexes of Chiral Tri- and Tetradentate Schiff-Base Ligands Derived from 1,1'-Binaphthyl-2,2'-diamine","Inorganic Chemistry","2004","43","","6168","6176","10.1021/ic049910y","","","0.71073","MoKα","","0.0456","0.0352","","","0.0875","0.0917","","","","","","1.04","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311722","10.779","0.002","12.499","0.002","16.749","0.003","82.28","0.02","78.4","0.02","86.32","0.02","2188.8","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33.8 Cl4 Mn2 N6 O16.9 -","- C28 H26 Cl4 Mn2 N6 O16.9 -","- C56 H52 Cl8 Mn4 N12 O33.8 -","2","1","","Gema Fernández; Montserrat Corbella; Montserrat Alfonso; Helen Stoeckli-Evans; Isabel Castro","A Comparative XAS and X-ray Diffraction Study of New Binuclear Mn(III) Complexes with Catalase Activity. Indirect Effect of the Counteranion on Magnetic Properties","Inorganic Chemistry","2004","43","","6684","6698","10.1021/ic0348897","","","0.71069","MoKα","","0.1104","0.0638","","","0.1532","0.17","","","","","","0.861","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4311723","9.331","0.0007","10.1002","0.0008","17.9091","0.0014","91.822","0.009","91.083","0.009","117.395","0.008","1496.7","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24.3 Cl2 Mn2 N6 O13.15 -","- C24 H24 Cl2 Mn2 N6 O13.15 -","- C48 H48 Cl4 Mn4 N12 O26.3 -","2","1","","Gema Fernández; Montserrat Corbella; Montserrat Alfonso; Helen Stoeckli-Evans; Isabel Castro","A Comparative XAS and X-ray Diffraction Study of New Binuclear Mn(III) Complexes with Catalase Activity. Indirect Effect of the Counteranion on Magnetic Properties","Inorganic Chemistry","2004","43","","6684","6698","10.1021/ic0348897","","","0.71073","MoKα","","0.0386","0.0281","","","0.0664","0.0689","","","","","","0.936","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311724","14.412","0.012","17.208","0.018","34.69","0.02","90","","90","","90","","8603","13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H34 Mn2 N12 O13 -","- C40 H32 Mn2 N12 O13 -","- C320 H256 Mn16 N96 O104 -","8","1","","Gema Fernández; Montserrat Corbella; Montserrat Alfonso; Helen Stoeckli-Evans; Isabel Castro","A Comparative XAS and X-ray Diffraction Study of New Binuclear Mn(III) Complexes with Catalase Activity. Indirect Effect of the Counteranion on Magnetic Properties","Inorganic Chemistry","2004","43","","6684","6698","10.1021/ic0348897","","","0.71069","MoKα","","0.1575","0.0877","","","0.1931","0.2501","","","","","","1.22","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311725","24.775","0.002","13.8968","0.0009","22.0113","0.0015","90","","90","","90","","7578.3","0.9","223","2","223","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cl2 Mn N6 O10.5 -","- C36 H31 Cl2 Mn N6 O10.5 -","- C288 H248 Cl16 Mn8 N48 O84 -","8","1","","Gema Fernández; Montserrat Corbella; Montserrat Alfonso; Helen Stoeckli-Evans; Isabel Castro","A Comparative XAS and X-ray Diffraction Study of New Binuclear Mn(III) Complexes with Catalase Activity. Indirect Effect of the Counteranion on Magnetic Properties","Inorganic Chemistry","2004","43","","6684","6698","10.1021/ic0348897","","","0.71073","MoKα","","0.0657","0.0357","","","0.0633","0.0704","","","","","","0.813","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4311726","11.162","0.002","12.934","0.003","16.724","0.002","90","","105.34","0.01","90","","2328.4","0.7","296.2","","296.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl3 Co N5 O8 -","- C18 H25 Cl3 Co N5 O8 -","- C72 H100 Cl12 Co4 N20 O32 -","4","1","","W. Gregory Jackson; Alistair J. Dickie; Rajumati Bhula; Josephine A. McKeon; Leone Spiccia; Suzanne J. Brudenell; David C. R. Hockless; Anthony C. Willis","Pyridyl-Based Pentadentate Ligands: Base-Catalyzed Hydrolysis of asym-[Co(dmptacn)Cl]2+","Inorganic Chemistry","2004","43","","6549","6556","10.1021/ic040041m","","","0.7107","MoKα","","0.0704","0.0434","","0.0506","","0.0468","","","1.747","","","1.929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311727","13.1038","0.0017","13.2726","0.0018","17.265","0.002","107.29","0.002","109.195","0.002","99.309","0.002","2593.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H136 Mn12 N10 O44 -","- C72 H136 Mn12 N10 O44 -","- C72 H136 Mn12 N10 O44 -","1","0.5","","Evan M. Rumberger; Lev N. Zakharov; Arnold L. Rheingold; David N. Hendrickson","Synthesis and Magnetic Properties of Wheel-Shaped [Mn12] and [Fe6] Complexes","Inorganic Chemistry","2004","43","","6531","6533","10.1021/ic0488886","","","0.71073","MoKα","","0.0483","0.0365","","","0.0908","0.098","","","","","","1.009","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311728","8.6256","0.0014","13.532","0.002","15.233","0.002","114.095","0.002","98.17","0.003","102.634","0.003","1529.4","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H98 F6 Fe6 N6 O18 -","- C40 H90 F6 Fe6 N6 O18 -","- C40 H90 F6 Fe6 N6 O18 -","1","0.5","","Evan M. Rumberger; Lev N. Zakharov; Arnold L. Rheingold; David N. Hendrickson","Synthesis and Magnetic Properties of Wheel-Shaped [Mn12] and [Fe6] Complexes","Inorganic Chemistry","2004","43","","6531","6533","10.1021/ic0488886","","","0.71073","MoKα","","0.0497","0.0436","","","0.1124","0.1162","","","","","","1.088","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311729","15.139","0.004","15.426","0.009","10.676","0.001","90","","131.27","0.003","90","","1873.9","1.2","273.2","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H4 Cu F4 O5 -","- C9 H4 Cu F4 O5 -","- C36 H16 Cu4 F16 O20 -","4","0.5","","Ryo Kitaura; Fumiyasu Iwahori; Ryotaro Matsuda; Susumu Kitagawa; Yoshiki Kubota; Masaki Takata; Tatsuo C. Kobayashi","Rational Design and Crystal Structure Determination of a 3-D Metal-Organic Jungle-Gym-like Open Framework","Inorganic Chemistry","2004","43","","6522","6524","10.1021/ic049005d","","","0.7107","MoKα","","","0.0776","","","","0.0841","","","","","","1.883","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311730","10.866","0.0002","10.866","","9.6705","0.0005","90","","90","","90","","1141.8","0.06","","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C22 H12 Cu2 F8 N2 O8 -","- C22 H12 Cu2 F8 N2 O8 -","- C22 H12 Cu2 F8 N2 O8 -","1","0.0625","","Ryo Kitaura; Fumiyasu Iwahori; Ryotaro Matsuda; Susumu Kitagawa; Yoshiki Kubota; Masaki Takata; Tatsuo C. Kobayashi","Rational Design and Crystal Structure Determination of a 3-D Metal-Organic Jungle-Gym-like Open Framework","Inorganic Chemistry","2004","43","","6522","6524","10.1021/ic049005d","powder diffraction","","0.90229","synchrotron","","","","","","","","","","2.41","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311731","11.912","0.0001","13.2215","0.0001","16.8877","0.0001","70.15","0.001","80.422","0.001","63.507","0.001","2238.64","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H74 Ca N3 O Si2 -","- C42 H74 Ca N3 O Si2 -","- C84 H148 Ca2 N6 O2 Si4 -","2","1","","Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai","Well-Defined Calcium Initiators for Lactide Polymerization","Inorganic Chemistry","2004","43","","6717","6725","10.1021/ic0490730","","","0.71073","MoKα","","0.0633","0.0479","","0.1362","0.1261","","","","1.044","1.095","1.095","","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311732","19.513","0.0002","12.5265","0.0001","22.1472","0.0002","90","","100.28","0.001","90","","5326.53","0.09","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 Ca0.5 N2 -","- C29 H41 Ca0.5 N2 -","- C232 H328 Ca4 N16 -","8","1","","Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai","Well-Defined Calcium Initiators for Lactide Polymerization","Inorganic Chemistry","2004","43","","6717","6725","10.1021/ic0490730","","","0.71073","MoKα","","0.0635","0.0448","","0.1317","0.1209","","","","1.055","1.118","1.118","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311733","15.1765","0.0001","11.7374","0.0001","20.8849","0.0002","90","","110.69","0.001","90","","3480.35","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 B Ca N6 O -","- C33 H51 B Ca N6 O -","- C132 H204 B4 Ca4 N24 O4 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai","Well-Defined Calcium Initiators for Lactide Polymerization","Inorganic Chemistry","2004","43","","6717","6725","10.1021/ic0490730","","","0.71073","MoKα","","0.0542","0.0406","","0.1102","0.1026","","","","1.04","1.087","1.087","","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311734","11.494","0.001","24.605","0.003","12.313","0.001","90","","97.47","0.01","90","","3452.7","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Ca N4 O4 -","- C38 H42 Ca N4 O4 -","- C152 H168 Ca4 N16 O16 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai","Well-Defined Calcium Initiators for Lactide Polymerization","Inorganic Chemistry","2004","43","","6717","6725","10.1021/ic0490730","","","0.71073","MoKα","","0.0651","0.0459","","0.1377","0.1262","","","","1.058","1.113","1.113","","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311735","10.4818","0.0001","20.6823","0.0002","18.0627","0.0002","90","","101.351","0.001","90","","3839.18","0.07","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 B Ca N6 O2 -","- C36 H56.394 B Ca N6 O2 -","- C144 H225.576 B4 Ca4 N24 O8 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Khamphee Phomphrai","Well-Defined Calcium Initiators for Lactide Polymerization","Inorganic Chemistry","2004","43","","6717","6725","10.1021/ic0490730","","","0.71073","MoKα","","0.0569","0.0463","","0.1263","0.1167","","","","1.028","1.042","1.042","","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311736","15.3873","0.0012","17.156","0.002","25.628","0.002","90","","90","","90","","6765.4","1.1","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl6 Fe N3 O2 -","- C29 H35 Cl6 Fe N3 O2 -","- C232 H280 Cl48 Fe8 N24 O16 -","8","1","","Theo M. Smit; Atanas K. Tomov; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Dramatic Effect of Heteroatom Backbone Substituents on the Ethylene Polymerization Behavior of Bis(imino)pyridine Iron Catalysts","Inorganic Chemistry","2004","43","","6511","6512","10.1021/ic0490775","","","1.54178","CuKα","","0.1403","0.0757","","0.2378","0.1855","","","","1.051","1.162","1.162","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311737","12.4157","0.0008","13.1045","0.001","16.4448","0.0011","92.145","0.006","98.928","0.005","107.708","0.005","2507.7","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H49 Cl8 Fe N3 S2 -","- C44 H49 Cl8 Fe N3 S2 -","- C88 H98 Cl16 Fe2 N6 S4 -","2","1","","Theo M. Smit; Atanas K. Tomov; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Dramatic Effect of Heteroatom Backbone Substituents on the Ethylene Polymerization Behavior of Bis(imino)pyridine Iron Catalysts","Inorganic Chemistry","2004","43","","6511","6512","10.1021/ic0490775","","","1.54178","CuKα","","0.0845","0.0608","","0.1714","0.1523","","","","1.026","1.074","1.074","","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311738","5.112","0.0003","5.219","0.002","23.622","0.002","94.15","0.02","91","0.02","119.21","0.02","547.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","silver 1,1'-biphenyl-4-sulfonate","","- C12 H9 Ag O3 S -","- C12.5 Ag O3 S -","- C25 Ag2 O6 S2 -","2","1","","Adrien P. Côté; George K. H. Shimizu","Silver(I) Arylsulfonates: A Systematic Study of ""Softer"" Hybrid Inorganic-Organic Solids","Inorganic Chemistry","2004","43","","6663","6673","10.1021/ic0491229","","","0.7107","MoKα","","0.1067","0.0567","","","0.1375","0.1765","","","","","","1.081","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311739","19.955","0.004","6.015","0.0012","8.622","0.0017","90","","91.76","0.03","90","","1034.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","silver 2-naphthalenesulfonate","","- C10 H7 Ag O3 S -","- C10 H7 Ag O3 S -","- C40 H28 Ag4 O12 S4 -","4","1","","Adrien P. Côté; George K. H. Shimizu","Silver(I) Arylsulfonates: A Systematic Study of ""Softer"" Hybrid Inorganic-Organic Solids","Inorganic Chemistry","2004","43","","6663","6673","10.1021/ic0491229","","","0.71073","MoKα","","0.1916","0.0623","","","0.1384","0.2171","","","","","","0.976","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311740","15.991","0.0002","5.448","0.0001","11.23","0.0003","90","","95.869","0.0007","90","","973.22","0.03","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Silver 1-naphthalenesulfonate monohydrate","","- C20 H16 Ag2 O7 S2 -","- C10 H8 Ag O3.5 S -","- C40 H32 Ag4 O14 S4 -","4","2","","Adrien P. Côté; George K. H. Shimizu","Silver(I) Arylsulfonates: A Systematic Study of ""Softer"" Hybrid Inorganic-Organic Solids","Inorganic Chemistry","2004","43","","6663","6673","10.1021/ic0491229","","","0.71073","MoKα","","0.0393","0.0312","","","0.0856","0.1006","","","","","","1.23","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311741","16.468","0.003","5.059","0.001","23.804","0.005","90","","107.37","0.03","90","","1892.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","silver 1-naphthalenesulfonate","","- C10 H7 Ag O3 S -","- C40 H28 Ag4 O12 S4 -","- C80 H56 Ag8 O24 S8 -","2","0.5","","Adrien P. Côté; George K. H. Shimizu","Silver(I) Arylsulfonates: A Systematic Study of ""Softer"" Hybrid Inorganic-Organic Solids","Inorganic Chemistry","2004","43","","6663","6673","10.1021/ic0491229","","","0.71073","MoKα","","0.0459","0.0264","","","0.0525","0.0566","","","","","","1.044","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311742","14.914","0.0004","5.619","0.0001","18.333","0.0006","90","","124.815","0.0011","90","","1261.33","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","silver 1-pyrenesulfonate","","- C16 H9 Ag O3 S -","- C16 H9 Ag O3 S -","- C64 H36 Ag4 O12 S4 -","4","1","","Adrien P. Côté; George K. H. Shimizu","Silver(I) Arylsulfonates: A Systematic Study of ""Softer"" Hybrid Inorganic-Organic Solids","Inorganic Chemistry","2004","43","","6663","6673","10.1021/ic0491229","","","0.71073","MoKα","","0.041","0.0286","","","0.0837","0.1164","","","","","","1.047","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311743","9.4745","0.0006","11.2647","0.0007","21.5642","0.0013","88.401","0.001","84.238","0.001","65.837","0.001","2089","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37.5 Ag2 B2 F8 N16.5 -","- C33 H37.5 Ag2 B2 F8 N16.5 -","- C66 H75 Ag4 B4 F16 N33 -","2","1","","Daniel L. Reger; Russell P. Watson; James R. Gardinier; Mark D. Smith","Impact of Variations in Design of Flexible Bitopic Bis(pyrazolyl)methane Ligands and Counterions on the Structures of Silver(I) Complexes: Dominance of Cyclic Dimeric Architecture","Inorganic Chemistry","2004","43","","6609","6619","10.1021/ic0491377","","","0.71073","MoKα","","0.0384","0.0344","","","0.089","0.0916","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311744","40.782","0.002","11.1242","0.0006","21.7275","0.0011","90","","102.247","0.001","90","","9632.7","0.9","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H37 Ag2 Cl F6 N16 O6 S2 -","- C34.5 H37 Ag2 Cl F6 N16 O6 S2 -","- C276 H296 Ag16 Cl8 F48 N128 O48 S16 -","8","1","","Daniel L. Reger; Russell P. Watson; James R. Gardinier; Mark D. Smith","Impact of Variations in Design of Flexible Bitopic Bis(pyrazolyl)methane Ligands and Counterions on the Structures of Silver(I) Complexes: Dominance of Cyclic Dimeric Architecture","Inorganic Chemistry","2004","43","","6609","6619","10.1021/ic0491377","","","0.71073","MoKα","","0.0338","0.0299","","","0.077","0.0788","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311745","8.3629","0.0004","17.6037","0.0008","19.1867","0.0008","90","","101","0.001","90","","2772.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Ag2 N26 O6 -","- C48 H54 Ag2 N26 O6 -","- C96 H108 Ag4 N52 O12 -","2","0.5","","Daniel L. Reger; Russell P. Watson; James R. Gardinier; Mark D. Smith","Impact of Variations in Design of Flexible Bitopic Bis(pyrazolyl)methane Ligands and Counterions on the Structures of Silver(I) Complexes: Dominance of Cyclic Dimeric Architecture","Inorganic Chemistry","2004","43","","6609","6619","10.1021/ic0491377","","","0.71073","MoKα","","0.0542","0.0419","","","0.0921","0.0969","","","","","","1.018","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311746","13.0016","0.0008","14.3671","0.0009","14.4522","0.0009","71.643","0.001","65.489","0.001","63.98","0.001","2178","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 Ag B F4 N8 -","- C17 H20 Ag B F4 N8 -","- C68 H80 Ag4 B4 F16 N32 -","4","2","","Daniel L. Reger; Russell P. Watson; James R. Gardinier; Mark D. Smith","Impact of Variations in Design of Flexible Bitopic Bis(pyrazolyl)methane Ligands and Counterions on the Structures of Silver(I) Complexes: Dominance of Cyclic Dimeric Architecture","Inorganic Chemistry","2004","43","","6609","6619","10.1021/ic0491377","","","0.71073","MoKα","","0.0394","0.0347","","","0.0865","0.0898","","","","","","1.037","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311747","12.6354","0.0006","15.4554","0.0008","14.7501","0.0007","90","","112.436","0.001","90","","2662.4","0.2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Ag2 Cl4 F6 N16 O6 S2 -","- C38 H44 Ag2 Cl4 F6 N16 O6 S2 -","- C76 H88 Ag4 Cl8 F12 N32 O12 S4 -","2","0.5","","Daniel L. Reger; Russell P. Watson; James R. Gardinier; Mark D. Smith","Impact of Variations in Design of Flexible Bitopic Bis(pyrazolyl)methane Ligands and Counterions on the Structures of Silver(I) Complexes: Dominance of Cyclic Dimeric Architecture","Inorganic Chemistry","2004","43","","6609","6619","10.1021/ic0491377","","","0.71073","MoKα","","0.0332","0.0299","","","0.0738","0.0753","","","","","","1.033","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311748","8.9678","0.0005","13.0984","0.0008","16.7159","0.001","90","","90.098","0.001","90","","1963.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Ag N9 O3 -","- C17 H20 Ag N9 O3 -","- C68 H80 Ag4 N36 O12 -","4","1","","Daniel L. Reger; Russell P. Watson; James R. Gardinier; Mark D. Smith","Impact of Variations in Design of Flexible Bitopic Bis(pyrazolyl)methane Ligands and Counterions on the Structures of Silver(I) Complexes: Dominance of Cyclic Dimeric Architecture","Inorganic Chemistry","2004","43","","6609","6619","10.1021/ic0491377","","","0.71073","MoKα","","0.0425","0.0401","","","0.0983","0.1","","","","","","1.095","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311749","8.5388","0.0006","10.7467","0.0007","18.1127","0.0011","90","","90","","90","","1662.09","0.19","153","2","153","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Mo3 N2 O14 S -","- C5 Mo3 N2 O14 S -","- C20 Mo12 N8 O56 S4 -","4","1","","Jesse R. Gutnick; Eric A. Muller; Amy Narducci Sarjeant; Alexander J. Norquist","[C~5~N~2~H~14~][(MoO~3~)~3~(SO~4~)].H~2~O: Sulfated a-Molybdena Chains","Inorganic Chemistry","2004","43","","6528","6530","10.1021/ic049192f","","","0.7107","MoKα","","0.0499","0.0243","","0.0779","0.0585","0.0585","","","","","","0.889","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311750","16.76","0.003","16.996","0.002","17.581","0.002","90","","98.632","0.017","90","","4951.3","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(hydrotris(3,5-dimethylpyrazolyl)borato)(diphenylamido) uranium(III)","","- C49 H62 B2 N13 U -","- C49 H54 B2 N13 U -","- C196 H216 B8 N52 U4 -","4","0.5","","Maria Augusta Antunes; Gregory M. Ferrence; Ângela Domingos; Robert McDonald; Carol J. Burns; Josef Takats; Noémia Marques","Uranium (III) Scorpionates: Synthesis and Structure of [(TpMe2)2U{N(C6H5)2}] and [(TpMe2)2U{N(SiMe3)2}]","Inorganic Chemistry","2004","43","","6640","6643","10.1021/ic049204x","","","0.71073","MoKα","","0.0877","0.0561","","","0.1025","0.1141","","","","","","1.043","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311751","10.779","0.002","16.163","0.003","16.736","0.003","82.681","0.004","79.948","0.004","71.766","0.004","2718.6","0.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","bis(hydrotris(3,5-dimethylpyrazolyl)borato)(bis(trimethylsilyl)amido) uranium(III)","","- C46 H82 B2 N13 O2.5 Si2 U -","- C46 H82 B2 N13 O2.5 Si2 U -","- C92 H164 B4 N26 O5 Si4 U2 -","2","1","","Maria Augusta Antunes; Gregory M. Ferrence; Ângela Domingos; Robert McDonald; Carol J. Burns; Josef Takats; Noémia Marques","Uranium (III) Scorpionates: Synthesis and Structure of [(TpMe2)2U{N(C6H5)2}] and [(TpMe2)2U{N(SiMe3)2}]","Inorganic Chemistry","2004","43","","6640","6643","10.1021/ic049204x","","","0.71073","MoKα","","0.0812","0.0524","","","0.1083","0.1249","","","","","","1.014","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311752","11.0035","0.0016","12.3234","0.0018","19.092","0.003","104.548","0.003","99.17","0.003","91.801","0.003","2466.9","0.6","215","2","215","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H66 Cl2 N2 O4 P2 Pd -","- C47 H66 Cl2 N2 O4 P2 Pd -","- C94 H132 Cl4 N4 O8 P4 Pd2 -","2","1","","Olaf Kühl; Steffen Blaurock","(R/S)A2- or (R,S/S,R)p,p'-[Pd(κ2-P,P-{P(OC6H3But2-2,4)2N(Me)C(O)N(Me)PPh2}Cl2]: Chirality Created by Ring Tilting","Inorganic Chemistry","2004","43","","6543","6545","10.1021/ic049222e","","","0.71073","MoKα","","0.088","0.0595","","","0.1253","0.1388","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311753","13.7776","0.0009","21.9566","0.0014","19.2997","0.0014","90","","95.948","0.004","90","","5806.9","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H54 Cl4 F6 N2 P3 Rh -","- C52 H54 Cl4 F6 N2 P3 Rh -","- C208 H216 Cl16 F24 N8 P12 Rh4 -","4","0.5","","Paolo Marcazzan; Brian O. Patrick; Brian R. James","Rhodium-Hydrido-Benzylamine-Triphenylphosphine Complexes: Solid-State and Solution Structures and Implications in Catalyzed Imine Hydrogenation","Inorganic Chemistry","2004","43","","6838","6841","10.1021/ic049227b","","","0.71069","MoKα","","0.0884","0.06","","","0.1531","0.1681","","","","","","0.956","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311754","29.3124","0.0007","21.0184","0.0005","18.1676","0.0004","90","","124.853","0.002","90","","9185.3","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50.5 H50 F6 N2 O0.5 P3 Rh -","- C50.532 H49 F6 N2 O0.532 P3 Rh -","- C404.256 H392 F48 N16 O4.256 P24 Rh8 -","8","1","","Paolo Marcazzan; Brian O. Patrick; Brian R. James","Rhodium-Hydrido-Benzylamine-Triphenylphosphine Complexes: Solid-State and Solution Structures and Implications in Catalyzed Imine Hydrogenation","Inorganic Chemistry","2004","43","","6838","6841","10.1021/ic049227b","","","0.71069","MoKα","","0.0622","0.0423","","","0.1104","0.12","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311755","13.04","0.003","23.159","0.005","7.572","0.002","90","","98.28","0.03","90","","2262.9","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 Cl Cu N5 O9 -","- C18.5 H21 Cl Cu N5 O7 -","- C74 H84 Cl4 Cu4 N20 O28 -","4","1","","Zhiliang Liu; Zhengliang Lü; Deqing Zhang; Zonghui Jiang; Licun Li; Caiming Liu; Daoben Zhu","New Types of Heterospin Complexes from trans-Oxamido-Bridged Copper(II) Binuclear Units and Nitronyl Nitroxide Radicals: Crystal Structure and Magnetic Characterization","Inorganic Chemistry","2004","43","","6620","6627","10.1021/ic049247d","","","0.71073","MoKα","","0.0878","0.0553","","","0.1338","0.1463","","","","","","1.06","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311756","14.896","0.003","10.915","0.002","12.452","0.002","90","","102.06","0.03","90","","1979.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl2 Cu2 N10 O14 -","- C30 H44 Cl2 Cu2 N10 O14 -","- C60 H88 Cl4 Cu4 N20 O28 -","2","0.5","","Zhiliang Liu; Zhengliang Lü; Deqing Zhang; Zonghui Jiang; Licun Li; Caiming Liu; Daoben Zhu","New Types of Heterospin Complexes from trans-Oxamido-Bridged Copper(II) Binuclear Units and Nitronyl Nitroxide Radicals: Crystal Structure and Magnetic Characterization","Inorganic Chemistry","2004","43","","6620","6627","10.1021/ic049247d","","","0.71073","MoKα","","0.0946","0.0435","","","0.105","0.1108","","","","","","1.011","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4311757","12.88","0.003","21.188","0.004","15.795","0.003","90","","106.62","0.03","90","","4130.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cl2 Cu2 N10 O16 -","- C30 H42 Cl2 Cu2 N10 O16 -","- C120 H168 Cl8 Cu8 N40 O64 -","4","1","","Zhiliang Liu; Zhengliang Lü; Deqing Zhang; Zonghui Jiang; Licun Li; Caiming Liu; Daoben Zhu","New Types of Heterospin Complexes from trans-Oxamido-Bridged Copper(II) Binuclear Units and Nitronyl Nitroxide Radicals: Crystal Structure and Magnetic Characterization","Inorganic Chemistry","2004","43","","6620","6627","10.1021/ic049247d","","","0.71073","MoKα","","0.1688","0.0712","","","0.1673","0.1874","","","","","","0.995","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311758","12.7455","0.0002","19.0106","0.0003","33.941","0.0005","90","","90","","90","","8223.9","0.2","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Iridium(III) N,C2,N'-(4,6-dimethyl-1,3-dipyridyl-benzene) N,N',N""-(4'-(4-tolyl)-2,2':6',2''-terpyridine) tris-hexafluorophosphate salt","","- C43 H38 F12 Ir N5 O P2 -","- C43 H38 F12 Ir N5 O P2 -","- C344 H304 F96 Ir8 N40 O8 P16 -","8","1","","Andrew J. Wilkinson; Andrés E. Goeta; Clive E. Foster; J. A. Gareth Williams","Synthesis and Luminescence of a Charge-Neutral, Cyclometalated Iridium(III) Complex Containing N^C^N- and C^N^C-Coordinating Terdentate Ligands","Inorganic Chemistry","2004","43","","6513","6515","10.1021/ic049272j","","","0.71073","MoKα","","0.0619","0.0372","","","0.0805","0.0905","","","","","","1.018","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311759","17.142","0.0019","22.604","0.003","17.2955","0.0018","90","","110.387","0.002","90","","6281.8","1.3","150","2","150","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C94 H202 B4 Cl8 Fe6 Mo2 N4 O4 P2 S8 -","- C94 H202 B4 Cl8 Fe6 Mo2 N4 O4 P2 S8 -","- C188 H404 B8 Cl16 Fe12 Mo4 N8 O8 P4 S16 -","2","0.5","","Markos Koutmos; Dimitri Coucouvanis","Borohydride Anions as Terminal Ligands on a Fe/Mo/S Cluster. Synthesis, Structure, and Characterization of the [(Cl4-cat)(PPr3)MoFe3S4(BH4)2]2(Bu4N)4 Double-Fused Cubane","Inorganic Chemistry","2004","43","","6508","6510","10.1021/ic049275w","","","0.71073","MoKα","","0.0483","0.033","","","0.082","0.0892","","","","","","1.026","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311760","16.1557","0.0004","14.1477","0.0004","26.5325","0.0009","90","","90","","90","","6064.4","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(tris(2-benzylaminoethyl)amine)-(thiosulfato-S)-copper(ii) methanol solvate","","- C28 H40 Cu N4 O4 S2 -","- C28 H40 Cu N4 O4 S2 -","- C224 H320 Cu8 N32 O32 S16 -","8","1","","Adam J. Fischmann; Andrew C. Warden; Jay Black; Leone Spiccia","Synthesis, Characterization, and Structures of Copper(II)-Thiosulfate Complexes Incorporating Tripodal Tetraamine Ligands","Inorganic Chemistry","2004","43","","6568","6578","10.1021/ic0492800","","","0.71073","MoKα","","0.165","0.0696","","","0.0951","0.1161","","","","","","1.024","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311761","19.2487","0.0003","8.4933","0.0001","12.3508","0.0001","90","","90","","90","","2019.17","0.04","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(acetonitrile)-(tris(2-methylaminoethyl)amine)-copper(ii) diperchlorate","","- C11 H27 Cl2 Cu N5 O8 -","- C11 H27 Cl2 Cu N5 O8 -","- C44 H108 Cl8 Cu4 N20 O32 -","4","1","","Adam J. Fischmann; Andrew C. Warden; Jay Black; Leone Spiccia","Synthesis, Characterization, and Structures of Copper(II)-Thiosulfate Complexes Incorporating Tripodal Tetraamine Ligands","Inorganic Chemistry","2004","43","","6568","6578","10.1021/ic0492800","","","0.71073","MoKα","","0.0439","0.032","","","0.071","0.0755","","","","","","1.05","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311762","12.0421","0.0003","12.8448","0.0003","33.9332","0.0009","90","","90","","90","","5248.7","0.2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(tris-(2-methylammoniumethyl)amine)","","- C27 H69 Cl3 Cu2 N12 O18 S4 -","- C27 H69 Cl3 Cu2 N12 O18 S4 -","- C108 H276 Cl12 Cu8 N48 O72 S16 -","4","1","","Adam J. Fischmann; Andrew C. Warden; Jay Black; Leone Spiccia","Synthesis, Characterization, and Structures of Copper(II)-Thiosulfate Complexes Incorporating Tripodal Tetraamine Ligands","Inorganic Chemistry","2004","43","","6568","6578","10.1021/ic0492800","","","0.71073","MoKα","","0.1524","0.094","","","0.2045","0.2321","","","","","","1.088","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311763","10.894","0.002","10.053","0.002","12.238","0.002","90","","102.36","0.03","90","","1309.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(tris(2-aminoethyl)amine)-(thiosulfato-S)-copper(II) hydrate","","- C6 H20 Cu N4 O4 S2 -","- C6 H20 Cu N4 O4 S2 -","- C24 H80 Cu4 N16 O16 S8 -","4","1","","Adam J. Fischmann; Andrew C. Warden; Jay Black; Leone Spiccia","Synthesis, Characterization, and Structures of Copper(II)-Thiosulfate Complexes Incorporating Tripodal Tetraamine Ligands","Inorganic Chemistry","2004","43","","6568","6578","10.1021/ic0492800","","","0.71073","MoKα","","0.0452","0.0304","","","0.0663","0.0701","","","","","","1.045","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311764","19.132","0.002","19.132","0.002","20.4073","0.0017","90","","90","","120","","6469","1.1","295","","295","","","","","","","","?","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H54 Cl12 N3 O6 Rh3 -","- C48 H54 Cl12 N3 O6 Rh3 -","- C192 H216 Cl48 N12 O24 Rh12 -","4","0.333333","","Lamia Mimassi; Carine Guyard-Duhayon; Marie Noelle Rager; Hani Amouri","Chiral Recognition and Resolution of the Enantiomers of Supramolecular Triangular Hosts: Synthesis, Circular Dichroism, NMR, and X-ray Molecular Structure of [Li@(R,R,R)-{Cp*Rh(5-chloro-2,3-dioxopyridine)}3][Δ-Trisphat]","Inorganic Chemistry","2004","43","","6644","6649","10.1021/ic049361w","","","0.71073","MoKα","","0.1569","0.063","","0.1358","0.057","0.057","","","","","","0.8233","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311765","10.1763","0.0004","11.1598","0.0004","14.8557","0.0005","90","","107.035","0.001","90","","1613.07","0.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H28 Cu3 N4 O18 -","- C32 H28 Cu3 N4 O18 -","- C64 H56 Cu6 N8 O36 -","2","0.5","","E Yang; Jian Zhang; Zhao-Ji Li; Song Gao; Yao Kang; Yu-Biao Chen; Yi-Hang Wen; Yuan-Gen Yao","Interweaving 3D Network with Double Helical Tubes Filled by 1D Coordination Polymer Chains","Inorganic Chemistry","2004","43","","6525","6527","10.1021/ic049363g","","","0.71073","MoKα","","","0.0417","","","0.1071","0.1172","","","","","","1.068","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311766","24.275","0.002","23.162","0.002","14.6189","0.0009","90","","102.96","0.02","90","","8010.2","1.3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C144 H168 Fe2 N16 O18 P4 Ru -","- C144 H156 Fe2 N16 O18 P4 Ru -","- C288 H312 Fe4 N32 O36 P8 Ru2 -","2","0.5","","Pablo Alborés; Leonardo D. Slep; Thomas Weyhermüller; Luis M. Baraldo","Fine Tuning of the Electronic Coupling between Metal Centers in Cyano-Bridged Mixed-Valent Trinuclear Complexes","Inorganic Chemistry","2004","43","","6762","6773","10.1021/ic0493649","","","0.71073","MoKα","","0.1137","0.0833","","0.2472","0.2123","","","","1.065","1.11","1.11","","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311767","15.631","0.001","14.562","0.001","32.643","0.003","90","","91.24","0.01","90","","7428.4","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C152 H170 Fe2 N16 O11 P4 Ru -","- C152 H148 Fe2 N16 O11 P4 Ru -","- C304 H296 Fe4 N32 O22 P8 Ru2 -","2","0.5","","Pablo Alborés; Leonardo D. Slep; Thomas Weyhermüller; Luis M. Baraldo","Fine Tuning of the Electronic Coupling between Metal Centers in Cyano-Bridged Mixed-Valent Trinuclear Complexes","Inorganic Chemistry","2004","43","","6762","6773","10.1021/ic0493649","","","0.71073","MoKα","","0.1031","0.0732","","0.2021","0.1789","","","","1.061","1.141","1.141","","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311768","19.397","0.014","4.131","0.003","16.584","0.012","90","","91.865","0.01","90","","1328.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O4 Pb S2 -","- C12 H10 O4 Pb S2 -","- C48 H40 O16 Pb4 S8 -","4","0.5","","Jana A. Lewis; Seth M. Cohen","Addressing Lead Toxicity: Complexation of Lead(II) with Thiopyrone and Hydroxypyridinethione O,S Mixed Chelators","Inorganic Chemistry","2004","43","","6534","6536","10.1021/ic0493696","","","0.71073","MoKα","","0.0345","0.0338","","","0.0827","0.0833","","","","","","1.1","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311769","8.7501","0.0006","31.678","0.002","10.775","0.0007","90","","90","","90","","2986.7","0.3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H16 N2 O2 Pb S2 -","- C14 H16 N2 O2 Pb S2 -","- C112 H128 N16 O16 Pb8 S16 -","8","0.5","","Jana A. Lewis; Seth M. Cohen","Addressing Lead Toxicity: Complexation of Lead(II) with Thiopyrone and Hydroxypyridinethione O,S Mixed Chelators","Inorganic Chemistry","2004","43","","6534","6536","10.1021/ic0493696","","","0.71073","MoKα","","0.0271","0.0261","","","0.0673","0.068","","","","","","1.097","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4311770","14.5231","0.0002","15.7412","0.0003","26.7104","0.0004","90","","96.329","0.001","90","","6069.08","0.17","110","1","110","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cl8 F12 Mo2 N4 O8 Pd2 -","- C46 H38 Cl7.982 F12 Mo2 N4 O8 Pd2 -","- C184 H152 Cl31.928 F48 Mo8 N16 O32 Pd8 -","4","0.5","","Jianjun Yi; Takayuki Miyabayashi; Masato Ohashi; Tsuneaki Yamagata; Kazushi Mashima","An Infinite Zigzag Chain of Alternating Cl-Pd-Pd-Cl and Mo-Mo Units","Inorganic Chemistry","2004","43","","6596","6599","10.1021/ic049397o","","","0.71075","MoKα","","0.0372","0.0311","","","0.0748","0.077","","","","","","1.045","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311771","12.9775","0.0019","13.933","0.002","19.257","0.003","90","","92.492","0.002","90","","3478.7","0.9","173","2","173","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C68 H69 B2 Cl4 F8 N O P4 Pt2 -","- C68 H67 B2 Cl4 F8 N O P4 Pt2 -","- C136 H134 B4 Cl8 F16 N2 O2 P8 Pt4 -","2","0.5","","U. Anandhi; Paul R. Sharp","Acidities of Platinum(II) μ-Hydroxo Complexes Bearing Diphosphine Ligands","Inorganic Chemistry","2004","43","","6780","6785","10.1021/ic049463m","","","0.71073","MoKα","","0.0395","0.0306","","","0.1028","0.1118","","","","","","0.894","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4311772","8.7696","0.0005","21.4932","0.0014","20.3254","0.0013","90","","99.19","0.001","90","","3781.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H57 N3 O2 Ti -","- C38 H57 N3 O2 Ti -","- C152 H228 N12 O8 Ti4 -","4","1","","Shih-Hsien Hsu; Jr-Chiuan Chang; Chun-Liang Lai; Ching-Han Hu; Hon Man Lee; Gene-Hsiang Lee; Shie-Ming Peng; Jui-Hsien Huang","Terminal Titanium-Ligand Multiple Bonds. Cleavages of CO and CS Double Bonds with Ti Imido Complexes","Inorganic Chemistry","2004","43","","6786","6792","10.1021/ic049474f","","","0.71073","MoKα","","0.0684","0.0479","","","0.1391","0.1538","","","","","","0.867","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311773","36.3893","0.0005","36.3893","0.0005","13.0575","0.0002","90","","90","","120","","14974","0.4","150","1","150","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H48 N2 O3 Ti -","- C34 H48 N2 O3 Ti -","- C612 H864 N36 O54 Ti18 -","18","1","","Shih-Hsien Hsu; Jr-Chiuan Chang; Chun-Liang Lai; Ching-Han Hu; Hon Man Lee; Gene-Hsiang Lee; Shie-Ming Peng; Jui-Hsien Huang","Terminal Titanium-Ligand Multiple Bonds. Cleavages of CO and CS Double Bonds with Ti Imido Complexes","Inorganic Chemistry","2004","43","","6786","6792","10.1021/ic049474f","","","0.71073","MoKα","","0.0896","0.0601","","","0.1685","0.1991","","","","","","0.958","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311774","9.1758","0.0006","10.82","0.0007","11.9514","0.0008","103.271","0.002","97.482","0.002","109.561","0.002","1060.12","0.12","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H34 N2 -","- C21 H34 N2 -","- C42 H68 N4 -","2","1","","Shih-Hsien Hsu; Jr-Chiuan Chang; Chun-Liang Lai; Ching-Han Hu; Hon Man Lee; Gene-Hsiang Lee; Shie-Ming Peng; Jui-Hsien Huang","Terminal Titanium-Ligand Multiple Bonds. Cleavages of CO and CS Double Bonds with Ti Imido Complexes","Inorganic Chemistry","2004","43","","6786","6792","10.1021/ic049474f","","","0.71073","MoKα","","0.1316","0.0819","","","0.2127","0.2453","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311775","10.2706","0.0006","12.5962","0.0008","14.3469","0.0009","71.125","0.001","88.106","0.001","71.686","0.001","1662.43","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 N2 O2 S Ti -","- C34 H48 N2 O2 S Ti -","- C68 H96 N4 O4 S2 Ti2 -","2","1","","Shih-Hsien Hsu; Jr-Chiuan Chang; Chun-Liang Lai; Ching-Han Hu; Hon Man Lee; Gene-Hsiang Lee; Shie-Ming Peng; Jui-Hsien Huang","Terminal Titanium-Ligand Multiple Bonds. Cleavages of CO and CS Double Bonds with Ti Imido Complexes","Inorganic Chemistry","2004","43","","6786","6792","10.1021/ic049474f","","","0.71073","MoKα","","0.0604","0.0413","","","0.1099","0.1262","","","","","","0.983","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311776","13.2331","0.0002","14.9156","0.0002","18.9913","0.0003","88.9675","0.0007","80.9697","0.0007","86.5625","0.0007","3695.23","0.1","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54.5 N3.5 O4 Ti -","- C38 H54.5 N3.5 O4 Ti -","- C152 H218 N14 O16 Ti4 -","4","2","","Shih-Hsien Hsu; Jr-Chiuan Chang; Chun-Liang Lai; Ching-Han Hu; Hon Man Lee; Gene-Hsiang Lee; Shie-Ming Peng; Jui-Hsien Huang","Terminal Titanium-Ligand Multiple Bonds. Cleavages of CO and CS Double Bonds with Ti Imido Complexes","Inorganic Chemistry","2004","43","","6786","6792","10.1021/ic049474f","","","0.71073","MoKα","","0.0948","0.0534","","","0.1364","0.1692","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311777","17.598","0.007","13.394","0.005","17.272","0.007","90","","107.512","0.012","90","","3882","3","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 B2 F8 N3 P2 Pd -","- C36 H35 B2 F8 N3 P2 Pd -","- C144 H140 B8 F32 N12 P8 Pd4 -","4","0.5","","Hon Man Lee; Jing Yao Zeng; Ching-Han Hu; Ming-Tsung Lee","A New Tridentate Pincer Phosphine/N-Heterocyclic Carbene Ligand: Palladium Complexes, Their Structures, and Catalytic Activities","Inorganic Chemistry","2004","43","","6822","6829","10.1021/ic049492x","","x-ray","0.71073","MoKα","","0.0591","0.0494","","","0.1412","0.1509","","","","","","1.042","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311778","50.48","0.016","11.333","0.003","24.738","0.007","90","","114.119","0.011","90","","12917","7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 Cl4 N4 P4 Pd2 -","- C62 H60 Cl4 N4 P4 Pd2 -","- C496 H480 Cl32 N32 P32 Pd16 -","8","1","","Hon Man Lee; Jing Yao Zeng; Ching-Han Hu; Ming-Tsung Lee","A New Tridentate Pincer Phosphine/N-Heterocyclic Carbene Ligand: Palladium Complexes, Their Structures, and Catalytic Activities","Inorganic Chemistry","2004","43","","6822","6829","10.1021/ic049492x","","x-ray","0.71073","MoKα","","0.1211","0.0648","","","0.1931","0.2293","","","","","","1.027","","","","has coordinates,has disorder","179156","2020-10-21","18:00:00",""
"4311779","13.749","0.003","12.538","0.002","20.682","0.004","90","","96.412","0.004","90","","3543","1.2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 B2 F8 N3 P2 Pd -","- C33 H33 B2 F8 N3 P2 Pd -","- C132 H132 B8 F32 N12 P8 Pd4 -","4","1","","Hon Man Lee; Jing Yao Zeng; Ching-Han Hu; Ming-Tsung Lee","A New Tridentate Pincer Phosphine/N-Heterocyclic Carbene Ligand: Palladium Complexes, Their Structures, and Catalytic Activities","Inorganic Chemistry","2004","43","","6822","6829","10.1021/ic049492x","","x-ray","0.71073","MoKα","","0.0799","0.0445","","","0.1093","0.1232","","","","","","0.95","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311780","16.253","0.002","13.756","0.002","17.874","0.002","90","","111.165","0.009","90","","3726.6","0.9","296.2","","296.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl F6 N6 O2 P Ru -","- C40 H32 Cl F6 N6 O2 P Ru -","- C160 H128 Cl4 F24 N24 O8 P4 Ru4 -","4","1","","Takahiko Kojima; Ken-ichi Hayashi; Yoshihisa Matsuda","Structures and Properties of Ruthenium(II) Complexes of Pyridylamine Ligands with Oxygen-Bound Amide Moieties: Regulation of Structures and Proton-Coupled Electron Transfer","Inorganic Chemistry","2004","43","","6793","6804","10.1021/ic0495665","","","0.7107","MoKα","","0","0","","","0","0.064","","","","","","2.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311781","28.9965","0.0001","11.7893","0.0002","29.0517","0.0001","90","","162.654","0.0004","90","","2960.94","0.08","133.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl F6 N6 O2 P Ru -","- C26 H32 Cl F6 N6 O2 P Ru -","- C104 H128 Cl4 F24 N24 O8 P4 Ru4 -","4","1","","Takahiko Kojima; Ken-ichi Hayashi; Yoshihisa Matsuda","Structures and Properties of Ruthenium(II) Complexes of Pyridylamine Ligands with Oxygen-Bound Amide Moieties: Regulation of Structures and Proton-Coupled Electron Transfer","Inorganic Chemistry","2004","43","","6793","6804","10.1021/ic0495665","","","0.7107","MoKα","","","0.0382","","","","0.0997","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311782","13.3675","0.0005","14.3432","0.0007","10.0746","0.0006","98.118","0.002","93.159","0.003","92.832","0.002","1906.17","0.16","103.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H33 Cl F6 N6 O4 P Ru -","- C40 H33 Cl F6 N6 O4 P Ru -","- C80 H66 Cl2 F12 N12 O8 P2 Ru2 -","2","1","","Takahiko Kojima; Ken-ichi Hayashi; Yoshihisa Matsuda","Structures and Properties of Ruthenium(II) Complexes of Pyridylamine Ligands with Oxygen-Bound Amide Moieties: Regulation of Structures and Proton-Coupled Electron Transfer","Inorganic Chemistry","2004","43","","6793","6804","10.1021/ic0495665","","","0.7107","MoKα","","","0.0414","","","","0.1282","","","","","","0.887","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311783","11.973","0.002","16.12","0.003","8.594","0.002","90","","90","","90","","1658.7","0.6","293","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Se18 Sn4 Sr8 -","- Se18 Sn4 Sr8 -","- Se36 Sn8 Sr16 -","2","0.25","","Regina Pocha; Dirk Johrendt","Crystal Structures of Sr4Sn2Se9 and Sr4Sn2Se10 and the Oxidation State of Tin in an Unusual Geometry","Inorganic Chemistry","2004","43","","6830","6837","10.1021/ic049663y","","","0.71073","MoKα","","0.0817","0.065","","","0.1488","0.1547","","","","","","1.27","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311784","12.028","0.002","16.541","0.003","8.611","0.002","90","","90","","90","","1713.2","0.6","293","2","200","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- Se10 Sn2 Sr4 -","- Se10 Sn2 Sr4 -","- Se40 Sn8 Sr16 -","4","1","","Regina Pocha; Dirk Johrendt","Crystal Structures of Sr4Sn2Se9 and Sr4Sn2Se10 and the Oxidation State of Tin in an Unusual Geometry","Inorganic Chemistry","2004","43","","6830","6837","10.1021/ic049663y","","","0.71073","MoKα","","0.0573","0.0464","","","0.1083","0.1141","","","","","","1.05","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311785","12.8179","0.0015","9.1246","0.0011","11.0332","0.0008","90","","90.993","0.007","90","","1290.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 S2 -","- C13 H10 N2 O2 S2 -","- C52 H40 N8 O8 S8 -","4","1","","R. Cejudo-Marín; G. Alzuet; S. Ferrer; J. Borrás; A. Castiñeiras; E. Monzani; L. Casella","Functional Superoxide Dismutase Mimics. Structural Characterization and Magnetic Exchange Interactions of Copper(II)-N-Substituted Sulfonamide Dimer Complexes","Inorganic Chemistry","2004","43","","6805","6814","10.1021/ic049718w","","","1.54184","CuKα","","0.0435","0.0348","","","0.0971","0.1039","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311786","27.174","0.003","10.1931","0.001","20.025","0.002","90","","122.025","0.002","90","","4702.6","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cu2 N8 O8 S8 -","- C40 H36 Cu2 N8 O8 S8 -","- C160 H144 Cu8 N32 O32 S32 -","4","0.5","","R. Cejudo-Marín; G. Alzuet; S. Ferrer; J. Borrás; A. Castiñeiras; E. Monzani; L. Casella","Functional Superoxide Dismutase Mimics. Structural Characterization and Magnetic Exchange Interactions of Copper(II)-N-Substituted Sulfonamide Dimer Complexes","Inorganic Chemistry","2004","43","","6805","6814","10.1021/ic049718w","","","0.71073","MoKα","","0.196","0.0505","","","0.0662","0.0884","","","","","","0.711","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311787","12.8308","0.0008","14.964","0.002","15.048","0.003","66.679","0.015","82.525","0.011","83.314","0.009","2623.9","0.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H36 Cu2 N8 O8 S8 -","- C52 H36 Cu2 N8 O8 S8 -","- C104 H72 Cu4 N16 O16 S16 -","2","1","","R. Cejudo-Marín; G. Alzuet; S. Ferrer; J. Borrás; A. Castiñeiras; E. Monzani; L. Casella","Functional Superoxide Dismutase Mimics. Structural Characterization and Magnetic Exchange Interactions of Copper(II)-N-Substituted Sulfonamide Dimer Complexes","Inorganic Chemistry","2004","43","","6805","6814","10.1021/ic049718w","","","1.54184","CuKα","","0.1028","0.0487","","","0.1042","0.1224","","","","","","1.02","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311788","13.2132","0.00007","6.5384","0.0003","13.6825","0.00005","90","","110.135","0.002","90","","1109.83","0.05","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 N2 O2 S2 -","- C10 H10 N2 O2 S2 -","- C40 H40 N8 O8 S8 -","4","1","","R. Cejudo-Marín; G. Alzuet; S. Ferrer; J. Borrás; A. Castiñeiras; E. Monzani; L. Casella","Functional Superoxide Dismutase Mimics. Structural Characterization and Magnetic Exchange Interactions of Copper(II)-N-Substituted Sulfonamide Dimer Complexes","Inorganic Chemistry","2004","43","","6805","6814","10.1021/ic049718w","","","1.5418","CuKα","","0.0518","0.0463","","","0.1598","0.1982","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311789","8.5648","0.0009","12.8938","0.0013","19.012","0.0015","90","","97.088","0.006","90","","2083.5","0.3","293","","293","","","","","","","","?","7","I 1 2/m 1","-I 2y","12","","","","- C10 H40 Cl6 Co2 Hg5 N22 O2 -","- C10 H48 Cl6 Co2 Hg5 N22 O2 -","- C20 H96 Cl12 Co4 Hg10 N44 O4 -","2","0.25","","Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff","Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries","Inorganic Chemistry","2004","43","","6557","6567","10.1021/ic049792e","","","0.7093","MoKα","","0.0632","0.0318","","0.0465","0.043","0.043","","","","","","1.2122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311790","10.949","0.002","12.761","0.003","25.921","0.006","90","","90.414","0.017","90","","3621.6","1.4","293","","293","","","","","","","","?","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl Hg N3 O P2 -","- C38 H32 Cl Hg N3 O P2 -","- C152 H128 Cl4 Hg4 N12 O4 P8 -","4","1","","Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff","Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries","Inorganic Chemistry","2004","43","","6557","6567","10.1021/ic049792e","","","0.7093","MoKα","","0.1231","0.0384","","0.0507","0.0434","0.0434","","","","","","1.2505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311791","12.58","0.002","14.71","0.004","13.075","0.002","90","","94.189","0.014","90","","2413.1","0.8","293","","293","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H37 Cl Hg N3 O0.5 -","- C18 H37 Cl Hg N3 O0.5 -","- C72 H148 Cl4 Hg4 N12 O2 -","4","1","","Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff","Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries","Inorganic Chemistry","2004","43","","6557","6567","10.1021/ic049792e","","","0.71073","MoKα","","0.1188","0.0339","","0.0409","0.0362","0.0362","","","","","","1.5475","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311792","8.84","0.002","12.509","0.003","17.779","0.004","92.488","0.019","91.35","0.02","110.442","0.019","1838.9","0.8","293","","293","","","","","","","","?","6","P -1","-P 1","2","","","","- C34 H22 Cl2 Hg2 N10 Ni -","- C34 H22 Cl2 Hg2 N10 Ni -","- C68 H44 Cl4 Hg4 N20 Ni2 -","2","1","","Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff","Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries","Inorganic Chemistry","2004","43","","6557","6567","10.1021/ic049792e","","","0.7093","MoKα","","0.0985","0.0341","","0.0394","0.0345","0.0345","","","","","","1.2692","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311793","6.3063","0.0013","8.132","0.003","9.9615","0.0018","70.43","0.02","85.675","0.017","72.63","0.02","459.2","0.2","293","","293","","","","","","","","?","6","P -1","-P 1","2","","","","- C8 H16 Cl2 Cu Hg2 N8 -","- C8 H16 Cl2 Cu Hg2 N8 -","- C8 H16 Cl2 Cu Hg2 N8 -","1","0.5","","Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff","Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries","Inorganic Chemistry","2004","43","","6557","6567","10.1021/ic049792e","","","0.7093","MoKα","","0.0389","0.0271","","0.0307","0.0301","0.0301","","","","","","1.8352","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311794","8.393","0.001","11.853","0.003","13.838","0.003","100.12","0.02","91.51","0.02","105.94","0.02","1299.1","0.5","293","","293","","","","","","","","?","6","P -1","-P 1","2","","","","- C12 H24 Cl3 Co Hg3 N12 -","- C12 H24 Cl3 Co Hg3 N12 -","- C24 H48 Cl6 Co2 Hg6 N24 -","2","1","","Neil D. Draper; Raymond J. Batchelor; Pedro M. Aguiar; Scott Kroeker; Daniel B. Leznoff","Factors Affecting the Solid-State Structure and Dimensionality of Mercury Cyanide/Chloride Double Salts, and NMR Characterization of Coordination Geometries","Inorganic Chemistry","2004","43","","6557","6567","10.1021/ic049792e","","","0.7093","MoKα","","0.0798","0.0404","","0.048","0.0456","0.0456","","","","","","1.6611","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311795","8.157","0.001","10.002","0.001","13.97","0.001","78","0.01","85.86","0.01","87.16","0.01","1111.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Cl4 Cu2 N3 S2 -","- C15 H23 Cl4 Cu2 N3 S2 -","- C30 H46 Cl8 Cu4 N6 S4 -","2","1","","Ramesh Kapoor; Ashok Kataria; Paloth Venugopalan; Pratibha Kapoor; Montserrat Corbella; Montserrat Rodríguez; Isabel Romero; Antoni Llobet","New Tetranuclear Cu(II) Complexes: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2004","43","","6699","6706","10.1021/ic049882j","","","0.71073","MoKα","","0.0283","0.0255","","","0.0636","0.0654","","","","","","1.027","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311796","8.295","0.001","12.713","0.001","13.025","0.001","72.21","0.01","89.11","0.01","87.21","0.01","1306.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H29 Cl4 Cu2 N3 O S2 -","- C17 H29 Cl4 Cu2 N3 O S2 -","- C34 H58 Cl8 Cu4 N6 O2 S4 -","2","1","","Ramesh Kapoor; Ashok Kataria; Paloth Venugopalan; Pratibha Kapoor; Montserrat Corbella; Montserrat Rodríguez; Isabel Romero; Antoni Llobet","New Tetranuclear Cu(II) Complexes: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2004","43","","6699","6706","10.1021/ic049882j","","","0.71073","MoKα","","0.0298","0.0268","","","0.0691","0.0704","","","","","","1.075","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311797","8.4908","0.0004","14.1916","0.0005","8.4937","0.0004","90","","113.513","0.004","90","","938.49","0.08","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H25 Cl2 Co N6 O11 S -","- C7 H25 Cl2 Co N6 O11 S -","- C14 H50 Cl4 Co2 N12 O22 S2 -","2","1","","Margaret J. Sisley; Robert McDonald; Robert B. Jordan","Linkage Isomerism, Structure, and Reactivity Studies of Sulfenamide Complexes of Cobalt(III)","Inorganic Chemistry","2004","43","","5339","5350","10.1021/ic0350584","","","1.54178","CuKa","","0.0428","0.0415","","0.1148","0.1135","","","","1.038","1.043","1.043","","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311798","16.552","0.004","11.927","0.003","12.639","0.003","90","","114.011","0.004","90","","2279.2","1","193","2","193","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C13 H30 Br Co N4 O6 S2 -","- C13 H30 Br Co N4 O6 S2 -","- C52 H120 Br4 Co4 N16 O24 S8 -","4","1","","Margaret J. Sisley; Robert McDonald; Robert B. Jordan","Linkage Isomerism, Structure, and Reactivity Studies of Sulfenamide Complexes of Cobalt(III)","Inorganic Chemistry","2004","43","","5339","5350","10.1021/ic0350584","","","0.71073","MoKα","","0.091","0.0627","","","0.1394","0.1537","","","","","","1.02","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311799","8.4431","0.0014","8.9608","0.0015","15.652","0.003","84.216","0.004","77.067","0.003","64.888","0.003","1045","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H29 Co N6 O11.5 S4 -","- C6 H29 Co N6 O11.5 S4 -","- C12 H58 Co2 N12 O23 S8 -","2","1","","Margaret J. Sisley; Robert McDonald; Robert B. Jordan","Linkage Isomerism, Structure, and Reactivity Studies of Sulfenamide Complexes of Cobalt(III)","Inorganic Chemistry","2004","43","","5339","5350","10.1021/ic0350584","","","0.71073","MoKα","","0.1106","0.079","","","0.2123","0.2376","","","","","","1.026","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311800","12.7945","0.0002","9.0831","0.0002","14.96","0.0003","90","","97.022","0.001","90","","1725.52","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N6 S2 Zn -","- C16 H14 N6 S2 Zn -","- C64 H56 N24 S8 Zn4 -","4","1","","Elena López-Torres; M Antonia Mendiola; César J. Pastor; Beatriz Souto Pérez","Versatile Chelating Behavior of Benzil Bis(thiosemicarbazone) in Zinc, Cadmium, and Nickel Complexes","Inorganic Chemistry","2004","43","","5222","5230","10.1021/ic035461a","","","1.54178","CuKα","","0.0384","0.0323","","","0.0847","0.0886","","","","","","1.051","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311801","19.7587","0.0003","12.3227","0.0001","22.4943","0.0003","90","","101.619","0.001","90","","5364.69","0.12","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cd N8 O2 S2 -","- C22 H28 Cd N8 O2 S2 -","- C176 H224 Cd8 N64 O16 S16 -","8","1","","Elena López-Torres; M Antonia Mendiola; César J. Pastor; Beatriz Souto Pérez","Versatile Chelating Behavior of Benzil Bis(thiosemicarbazone) in Zinc, Cadmium, and Nickel Complexes","Inorganic Chemistry","2004","43","","5222","5230","10.1021/ic035461a","","","1.54178","CuKα","","0.0428","0.041","","","0.12","0.1222","","","","","","1.05","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311802","10.2602","0.0004","10.5285","0.0005","11.2091","0.0005","98.07","0.003","108.113","0.003","105.883","0.003","1072.72","0.09","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 N7 Ni O S2 -","- C19 H21 N7 Ni O S2 -","- C38 H42 N14 Ni2 O2 S4 -","2","1","","Elena López-Torres; M Antonia Mendiola; César J. Pastor; Beatriz Souto Pérez","Versatile Chelating Behavior of Benzil Bis(thiosemicarbazone) in Zinc, Cadmium, and Nickel Complexes","Inorganic Chemistry","2004","43","","5222","5230","10.1021/ic035461a","","","1.54178","CuKα","","0.0455","0.0354","","","0.0904","0.097","","","","","","1.011","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311803","9.6364","0.0004","9.9275","0.0004","10.2686","0.0005","86.179","0.003","70.671","0.003","71.795","0.002","879.84","0.07","570","2","570","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N6 S2 -","- C16 H16 N6 S2 -","- C32 H32 N12 S4 -","2","1","","Elena López-Torres; M Antonia Mendiola; César J. Pastor; Beatriz Souto Pérez","Versatile Chelating Behavior of Benzil Bis(thiosemicarbazone) in Zinc, Cadmium, and Nickel Complexes","Inorganic Chemistry","2004","43","","5222","5230","10.1021/ic035461a","","","1.54178","CuKα","","0.0633","0.0427","","","0.1108","0.1229","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311804","14.4975","0.0008","13.1068","0.0007","15.827","0.0008","90","","90","","90","","3007.4","0.3","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H40 N2 Se6 Te3 -","- C17 H40 N2 Se6 Te3 -","- C68 H160 N8 Se24 Te12 -","4","0.5","","Perumal Sekar; James A. Ibers","Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-","Inorganic Chemistry","2004","43","","5436","5441","10.1021/ic040026h","","","0.71073","MoKα","","0.0335","0.0236","","","0.0564","0.0601","","","","","","1.274","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311805","14.811","0.005","12.795","0.004","32.802","0.011","90","","90","","90","","6216","4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H40 N2 Se7 Te3 -","- C16 H40 N2 Se7 Te3 -","- C128 H320 N16 Se56 Te24 -","8","1","","Perumal Sekar; James A. Ibers","Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-","Inorganic Chemistry","2004","43","","5436","5441","10.1021/ic040026h","","","0.71073","MoKα","","0.1722","0.0651","","","0.1517","0.208","","","","","","1.006","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311806","11.054","0.0008","18.4274","0.0014","17.8437","0.0013","90","","95.441","0.001","90","","3618.3","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 N2 P4 Se10 Te -","- C72 H60 N2 P4 Se10 Te -","- C144 H120 N4 P8 Se20 Te2 -","2","0.5","","Perumal Sekar; James A. Ibers","Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-","Inorganic Chemistry","2004","43","","5436","5441","10.1021/ic040026h","","","0.71073","MoKα","","0.1126","0.0587","","","0.1648","0.1993","","","","","","1.183","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311807","11.3455","0.0014","19.42","0.002","20","0.003","89.402","0.002","76.282","0.002","88.457","0.002","4279.3","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 P4 Se4 Te4 -","- C96 H80 P4 Se4 Te4 -","- C192 H160 P8 Se8 Te8 -","2","1","","Perumal Sekar; James A. Ibers","Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-","Inorganic Chemistry","2004","43","","5436","5441","10.1021/ic040026h","","","0.71073","MoKα","","0.131","0.0858","","","0.2315","0.2544","","","","","","1.496","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311808","15.6014","0.001","11.7941","0.0008","11.8795","0.0008","90","","107.992","0.001","90","","2079","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H31 N3 O Se3 Te -","- C11 H31 N3 O Se3 Te -","- C44 H124 N12 O4 Se12 Te4 -","4","1","","Perumal Sekar; James A. Ibers","Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-","Inorganic Chemistry","2004","43","","5436","5441","10.1021/ic040026h","","","0.71073","MoKα","","0.0467","0.0293","","","0.0638","0.0706","","","","","","1.242","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311809","8.5056","0.0007","13.4674","0.0011","20.889","0.0017","90","","97.097","0.001","90","","2374.5","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N2 Se3 Te -","- C16 H40 N2 Se3 Te -","- C64 H160 N8 Se12 Te4 -","4","1","","Perumal Sekar; James A. Ibers","Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-","Inorganic Chemistry","2004","43","","5436","5441","10.1021/ic040026h","","","0.71073","MoKα","","0.0301","0.0258","","","0.0683","0.0697","","","","","","1.316","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311810","9.8811","0.0012","14.0423","0.0016","18.57","0.002","90","","103.052","0.002","90","","2510.1","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 P2 Se10 Te -","- C48 H40 P2 Se10 Te -","- C96 H80 P4 Se20 Te2 -","2","0.5","","Perumal Sekar; James A. Ibers","Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-","Inorganic Chemistry","2004","43","","5436","5441","10.1021/ic040026h","","","0.71073","MoKα","","0.0997","0.0736","","","0.1989","0.219","","","","","","1.044","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311811","26.485","0.004","12.714","0.002","31.189","0.005","90","","111.006","0.006","90","","9804","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H53 Cl3 Cu3 N6 O6 -","- C49.5 H53 Cl3 Cu3 N6 O6 -","- C396 H424 Cl24 Cu24 N48 O48 -","8","1","","Thorsten Glaser; Maik Heidemeier; Stefan Grimme; Eckhard Bill","Targeted Ferromagnetic Coupling in a Trinuclear Copper(II) Complex: Analysis of the St=3/2 Spin Ground State","Inorganic Chemistry","2004","43","","5192","5194","10.1021/ic049252h","","","0.71073","MoKα","","0.0712","0.0458","","0.1266","0.1088","","","","1.022","1.093","1.093","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311812","8.8607","0.0002","16.7448","0.0004","20.6625","0.0005","90","","90","","90","","3065.71","0.13","293","2","293","2","","","","","","","Synthesis. Crystallization from a dichloromethane/acetone/diethyl eter solution at room temperature by slow liquid-liquid difussion.","5","P c 21 b","P -2bc -2c","29","","","","- C22 H8 N2 O16 Ru6 -","- C22 H8 N2 O16 Ru6 -","- C88 H32 N8 O64 Ru24 -","4","1","","Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Daniel Miguel; Víctor Riera","Hexaruthenium Carbonyl Cluster Complexes with Basal Edge-Bridged Square Pyramidal Metallic Skeleton: Efficient Synthesis of 2-Imidopyridine Derivatives and Determination of Their Reactive Sites in Carbonyl Substitution Reactions","Inorganic Chemistry","2004","43","","5450","5458","10.1021/ic0492789","","","1.5418","CuKα","","0.0659","0.0642","","","0.1238","0.125","","","","","","1.095","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311813","18.4425","0.0018","13.3512","0.0013","19.6015","0.0019","90","","104.417","0.006","90","","4674.5","0.8","293","2","293","2","","","","","","","Synthesis. Crystallization from a dichloromethane/hexanes solution at room temperature by slow liquid-liquid difussion.","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H23 N2 O17 P Ru6 -","- C39 H23 N2 O17 P Ru6 -","- C156 H92 N8 O68 P4 Ru24 -","4","1","","Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Daniel Miguel; Víctor Riera","Hexaruthenium Carbonyl Cluster Complexes with Basal Edge-Bridged Square Pyramidal Metallic Skeleton: Efficient Synthesis of 2-Imidopyridine Derivatives and Determination of Their Reactive Sites in Carbonyl Substitution Reactions","Inorganic Chemistry","2004","43","","5450","5458","10.1021/ic0492789","","","1.5418","CuKα","","0.1669","0.0644","","","0.1237","0.1556","","","","","","0.86","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311814","13.4886","0.0004","14.8157","0.0004","18.3555","0.0005","69.068","0.002","74.458","0.002","63.29","0.002","3035.1","0.16","200","2","120","2","","","","","","","Synthesis. Crystallization from a THF/hexanes solution at room temperature by slow liquid-liquid difussion.","6","P -1","-P 1","2","","","","- C56 H38 N2 O14 P2 Ru6 -","- C56 H38 N2 O14 P2 Ru6 -","- C112 H76 N4 O28 P4 Ru12 -","2","1","","Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Daniel Miguel; Víctor Riera","Hexaruthenium Carbonyl Cluster Complexes with Basal Edge-Bridged Square Pyramidal Metallic Skeleton: Efficient Synthesis of 2-Imidopyridine Derivatives and Determination of Their Reactive Sites in Carbonyl Substitution Reactions","Inorganic Chemistry","2004","43","","5450","5458","10.1021/ic0492789","","","1.5418","CuKα","","0.0742","0.0648","","","0.189","0.206","","","","","","1.006","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311815","11.998","0.013","12.108","0.013","16.396","0.018","84.826","0.018","77.902","0.018","68.341","0.018","2164","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H23 N2 O15 P Ru6 -","- C39 H23 N2 O15 P Ru6 -","- C78 H46 N4 O30 P2 Ru12 -","2","1","","Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Daniel Miguel; Víctor Riera","Hexaruthenium Carbonyl Cluster Complexes with Basal Edge-Bridged Square Pyramidal Metallic Skeleton: Efficient Synthesis of 2-Imidopyridine Derivatives and Determination of Their Reactive Sites in Carbonyl Substitution Reactions","Inorganic Chemistry","2004","43","","5450","5458","10.1021/ic0492789","","","0.71073","MoKα","","0.0398","0.0356","","","0.0764","0.0802","","","","","","1.232","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311816","13.9447","0.0006","15.1141","0.0006","18.9417","0.0008","90.276","0.003","95.087","0.003","104.99","0.003","3839.5","0.3","150","2","150","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~ / hexanes solution at room temperature by slow liquid-liquid difussion.","7","P -1","-P 1","2","","","","- C74 H55 Cl2 N2 O13 P3 Ru6 -","- C74 H55 Cl2 N2 O13 P3 Ru6 -","- C148 H110 Cl4 N4 O26 P6 Ru12 -","2","1","","Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Daniel Miguel; Víctor Riera","Hexaruthenium Carbonyl Cluster Complexes with Basal Edge-Bridged Square Pyramidal Metallic Skeleton: Efficient Synthesis of 2-Imidopyridine Derivatives and Determination of Their Reactive Sites in Carbonyl Substitution Reactions","Inorganic Chemistry","2004","43","","5450","5458","10.1021/ic0492789","","","1.5418","CuKα","","0.0915","0.0764","","","0.2321","0.2642","","","","","","1.001","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311817","11.354","0.003","23.584","0.006","20.941","0.005","90","","95.471","0.005","90","","5582","2","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H34 N2 O14 P2 Ru6 -","- C48.5 H34 N2 O14 P2 Ru6 -","- C194 H136 N8 O56 P8 Ru24 -","4","1","","Javier A. Cabeza; Ignacio del Río; Pablo García-Álvarez; Daniel Miguel; Víctor Riera","Hexaruthenium Carbonyl Cluster Complexes with Basal Edge-Bridged Square Pyramidal Metallic Skeleton: Efficient Synthesis of 2-Imidopyridine Derivatives and Determination of Their Reactive Sites in Carbonyl Substitution Reactions","Inorganic Chemistry","2004","43","","5450","5458","10.1021/ic0492789","","","0.71073","MoKα","","0.0997","0.0729","","","0.1494","0.165","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311818","13.9683","0.0009","17.4489","0.0011","13.7737","0.0009","90","","99.124","0.001","90","","3314.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 Ni O5 -","- C18 H14 N2 Ni O5 -","- C144 H112 N16 Ni8 O40 -","8","2","","YongBok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","A Chain of Changes: Influence of Noncovalent Interactions on the One-Dimensional Structures of Nickel(II) Dicarboxylate Coordination Polymers with Chelating Aromatic Amine Ligands","Inorganic Chemistry","2004","43","","5360","5367","10.1021/ic049341u","","","0.71073","MoKα","","0.0404","0.0291","","","0.0747","0.0798","","","","","","1.044","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311819","9.5589","0.0006","12.6776","0.0008","13.5121","0.0009","90","","95.437","0.001","90","","1630.08","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N2 Ni O4 -","- C20 H12 N2 Ni O4 -","- C80 H48 N8 Ni4 O16 -","4","1","","YongBok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","A Chain of Changes: Influence of Noncovalent Interactions on the One-Dimensional Structures of Nickel(II) Dicarboxylate Coordination Polymers with Chelating Aromatic Amine Ligands","Inorganic Chemistry","2004","43","","5360","5367","10.1021/ic049341u","","","0.71073","MoKα","","0.0403","0.0289","","","0.07","0.0744","","","","","","1.005","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311820","20.532","0.003","21.505","0.003","18.872","0.003","90","","93.862","0.003","90","","8314","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 N4 Ni2 O14 -","- C48 H30 N4 Ni2 O14 -","- C384 H240 N32 Ni16 O112 -","8","2","","YongBok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","A Chain of Changes: Influence of Noncovalent Interactions on the One-Dimensional Structures of Nickel(II) Dicarboxylate Coordination Polymers with Chelating Aromatic Amine Ligands","Inorganic Chemistry","2004","43","","5360","5367","10.1021/ic049341u","","","0.71073","MoKα","","0.2134","0.0573","","","0.1032","0.1465","","","","","","0.948","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311821","8.618","0.003","10.058","0.004","11.353","0.004","115.312","0.006","92.331","0.007","94.025","0.007","884.7","0.6","526","2","526","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 Ni O5 -","- C20 H14 N2 Ni O5 -","- C40 H28 N4 Ni2 O10 -","2","1","","YongBok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","A Chain of Changes: Influence of Noncovalent Interactions on the One-Dimensional Structures of Nickel(II) Dicarboxylate Coordination Polymers with Chelating Aromatic Amine Ligands","Inorganic Chemistry","2004","43","","5360","5367","10.1021/ic049341u","","","0.71073","MoKα","","0.0699","0.0454","","","0.0984","0.1072","","","","","","1.026","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311822","9.7682","0.0012","10.649","0.0013","11.2468","0.0014","76.685","0.002","65.309","0.002","85.612","0.002","1034.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N2 Ni O7 -","- C24 H17 N2 Ni O7 -","- C48 H34 N4 Ni2 O14 -","2","1","","YongBok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","A Chain of Changes: Influence of Noncovalent Interactions on the One-Dimensional Structures of Nickel(II) Dicarboxylate Coordination Polymers with Chelating Aromatic Amine Ligands","Inorganic Chemistry","2004","43","","5360","5367","10.1021/ic049341u","","","0.71073","MoKα","","0.0349","0.0306","","","0.079","0.0817","","","","","","1.039","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311823","14.956","0.007","23.671","0.009","9.026","0.004","90","","90","","90","","3195","2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H16 Cl2 Fe2 N2 O11 -","- C6 Cl2 Fe2 N2 O11 -","- C48 Cl16 Fe16 N16 O88 -","8","0.5","","Donatella Armentano; Giovanni De Munno; Teresa F. Mastropietro; Davide M. Proserpio; Miguel Julve; Francesc Lloret","The Cation as a Tool to Get Spin-Canted Three-Dimensional Iron(III) Networks","Inorganic Chemistry","2004","43","","5177","5179","10.1021/ic049345z","","","0.71073","MoKα","","0.0749","0.0611","","","0.1582","0.1648","","","","","","1.168","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311824","14.963","0.005","23.345","0.008","9.317","0.003","90","","90","","90","","3254.5","1.9","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H20 Cl2 Fe2 N2 O11 -","- C4 Cl2 Fe2 O9 -","- C32 Cl16 Fe16 O72 -","8","0.5","","Donatella Armentano; Giovanni De Munno; Teresa F. Mastropietro; Davide M. Proserpio; Miguel Julve; Francesc Lloret","The Cation as a Tool to Get Spin-Canted Three-Dimensional Iron(III) Networks","Inorganic Chemistry","2004","43","","5177","5179","10.1021/ic049345z","","","0.71073","MoKα","","0.113","0.0767","","0.1917","0.175","","","","0.909","","","","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311825","14.779","0.0007","23.754","0.0011","9.1747","0.0004","90","","90","","90","","3220.9","0.3","293","2","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H20 Cl2 Fe2 N2 O11 -","- C8 Cl2 Fe2 N2 O11 -","- C64 Cl16 Fe16 N16 O88 -","8","0.5","","Donatella Armentano; Giovanni De Munno; Teresa F. Mastropietro; Davide M. Proserpio; Miguel Julve; Francesc Lloret","The Cation as a Tool to Get Spin-Canted Three-Dimensional Iron(III) Networks","Inorganic Chemistry","2004","43","","5177","5179","10.1021/ic049345z","","","","MoKα","","0.0331","0.0297","","","0.0844","0.0861","","","","","","1.06","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311826","16.474","0.002","16.474","0.002","20.244","0.004","90","","90","","120","","4758","1.2","293","2","293","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C81 H81 Cl3 Cu3 Mn3 N15 O32 -","- C81 H81 Cl3 Cu3 Mn3 N15 O32 -","- C162 H162 Cl6 Cu6 Mn6 N30 O64 -","2","0.166667","","Mirela Pascu; Francesc Lloret; Narcis Avarvari; Miguel Julve; Marius Andruh","Ferromagnetic Coupling through Spin Polarization in the Hexanuclear [MnII3CuII3] Complex","Inorganic Chemistry","2004","43","","5189","5191","10.1021/ic0493651","","","0.71073","MoKα","","0.1468","0.0546","","","0.0899","0.113","","","","","","0.808","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311827","8.1012","0.0005","5.31093","0.00031","29.2595","0.0016","90","","90","","90","","1258.89","0.13","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 Cu2 O7 P2 -","- C12 Cu2 O7 P2 -","- C48 Cu8 O28 P8 -","4","0.5","","M. Mar Gómez-Alcántara; Aurelio Cabeza; María Martínez-Lara; Miguel A. G. Aranda; Rafael Suau; Nattamai Bhuvanesh; Abraham Clearfield","Synthesis and Characterization of a New Bisphosphonic Acid and Several Metal Hybrids Derivatives","Inorganic Chemistry","2004","43","","5283","5293","10.1021/ic049453l","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0645","","1.76","","","","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311828","7.822","0.003","5.821","0.002","28.982","0.009","90","","90","","90","","1319.6","0.8","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H12 O7 P2 -","- C12 H12 O7 P2 -","- C48 H48 O28 P8 -","4","0.5","","M. Mar Gómez-Alcántara; Aurelio Cabeza; María Martínez-Lara; Miguel A. G. Aranda; Rafael Suau; Nattamai Bhuvanesh; Abraham Clearfield","Synthesis and Characterization of a New Bisphosphonic Acid and Several Metal Hybrids Derivatives","Inorganic Chemistry","2004","43","","5283","5293","10.1021/ic049453l","","","1.54178","CuKα","","0.163","0.0614","","","0.1036","0.1306","","","","","","1.007","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311829","9.4993","0.0009","5.0445","0.0005","29.1309","0.0023","90","","90","","91.946","0.007","1395.1","0.2","","","","","","","","","","","","4","P 1 1 21","P 2c","4","","","","- C12 O7 P2 Zn -","- C12 O7 P2 Zn -","- C48 O28 P8 Zn4 -","4","2","","M. Mar Gómez-Alcántara; Aurelio Cabeza; María Martínez-Lara; Miguel A. G. Aranda; Rafael Suau; Nattamai Bhuvanesh; Abraham Clearfield","Synthesis and Characterization of a New Bisphosphonic Acid and Several Metal Hybrids Derivatives","Inorganic Chemistry","2004","43","","5283","5293","10.1021/ic049453l","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.10155","","4.85","","","","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311830","18.367","0.002","24.646","0.003","25.691","0.003","90","","92.973","0.003","90","","11614","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H106 Fe4 N24 Ni4 O21 -","- C100 H72 Fe4 N24 Ni4 O20.95 -","- C400 H288 Fe16 N96 Ni16 O83.8 -","4","1","","Mingxue Li; Ping Cai; Chunying Duan; Feng Lu; Jin Xie; Qingjin Meng","Octanuclear Metallocyclic Ni4Fc4 Compound: Synthesis, Crystal Structure, and Electrochemical Sensing for Mg2+","Inorganic Chemistry","2004","43","","5174","5176","10.1021/ic049530c","","","0.71073","MoKα","","0.3289","0.0767","","","0.1142","0.1517","","","","","","0.837","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311831","14.581","0.005","11.191","0.003","15.101","0.003","90","","99.267","0.019","90","","2432","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaqua-(2,2':6',2'':6'',2'''-quaterpyridine)-zinc diperchlorate","","- C20 H14 Cl2 N4 O10 Zn -","- C20 H14 Cl2 N4 O10 Zn -","- C80 H56 Cl8 N16 O40 Zn4 -","4","0.5","","Belli Dell'Amico, Daniela; Fausto Calderazzo; Matteo Curiardi; Luca Labella; Fabio Marchetti","Bis-qtpy (qtpy = 2,2':6',2'':6'',2'''-quaterpyridine) Metal Complexes, [M(qtpy)~2~]^2+^","Inorganic Chemistry","2004","43","","5459","5465","10.1021/ic049595f","","","0.71073","MoKα","","0.0531","0.0428","","","0.1169","0.1248","","","","","","1.082","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311832","24.353","0.008","8.1","0.0016","22.624","0.006","90","","108.49","0.03","90","","4232","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis-(2,2':6',2'':6'',2'''-quaterpyridine)-nickel diperchlorate tetrahydrate","","- C40 H36 Cl2 N8 Ni O12 -","- C40 H28 Cl2 N8 Ni O12 -","- C160 H112 Cl8 N32 Ni4 O48 -","4","0.5","","Belli Dell'Amico, Daniela; Fausto Calderazzo; Matteo Curiardi; Luca Labella; Fabio Marchetti","Bis-qtpy (qtpy = 2,2':6',2'':6'',2'''-quaterpyridine) Metal Complexes, [M(qtpy)~2~]^2+^","Inorganic Chemistry","2004","43","","5459","5465","10.1021/ic049595f","","","0.71073","MoKα","","0.0931","0.0912","","","0.2699","0.2784","","","","","","1.429","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311833","24.233","0.006","8.0247","0.0003","22.856","0.004","90","","107.54","0.02","90","","4238","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis-(2,2':6',2'':6'',2'''-quaterpyridine)-zinc diperchlorate tetraihydrate","","- C40 H36 Cl2 N8 O12 Zn -","- C40 H32 Cl2 N8 O12 Zn -","- C160 H128 Cl8 N32 O48 Zn4 -","4","0.5","","Belli Dell'Amico, Daniela; Fausto Calderazzo; Matteo Curiardi; Luca Labella; Fabio Marchetti","Bis-qtpy (qtpy = 2,2':6',2'':6'',2'''-quaterpyridine) Metal Complexes, [M(qtpy)~2~]^2+^","Inorganic Chemistry","2004","43","","5459","5465","10.1021/ic049595f","","","0.71073","MoKα","","0.0752","0.0717","","","0.2012","0.2069","","","","","","1.056","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311834","7.3718","0.001","13.515","0.002","13.036","0.002","90","","100.24","0.01","90","","1278.1","0.3","293","2","293","2","8140000","","8140000","","","","","3","P 1 21/n 1","-P 2yn","14","triruthenium dodecacarbonyl","triruthenium dodecacarbonyl","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley","High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy","Inorganic Chemistry","2004","43","","5245","5252","10.1021/ic049617y","","x-ray","","MoKα","","0.0723","0.0622","","","0.1394","0.1445","","","","","","1.306","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311835","8.0796","0.0016","14.794","0.003","14.542","0.003","90","","100.61","0.03","90","","1708.5","0.6","293","2","293","2","100","","100","","","","","3","P 1 21/n 1","-P 2yn","14","triruthenium dodecacarbonyl","triruthenium dodecacarbonyl","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley","High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy","Inorganic Chemistry","2004","43","","5245","5252","10.1021/ic049617y","","x-ray","0.71073","MoKα","","0.0349","0.0346","","","0.0969","0.0972","","","","","","1.137","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311836","8.0847","0.001","14.798","0.002","14.559","0.002","90","","100.616","0.01","90","","1712","0.4","293","2","293","2","100","","","","","","","3","P 1 21/n 1","-P 2yn","14","triruthenium dodecacarbonyl","triruthenium dodecacarbonyl","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley","High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy","Inorganic Chemistry","2004","43","","5245","5252","10.1021/ic049617y","","x-ray","0.71073","MoKα","","0.0506","0.0503","","","0.134","0.1341","","","","","","1.251","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311837","7.8785","0.001","14.354","0.002","14.138","0.002","90","","100.473","0.01","90","","1572.2","0.4","293","2","293","2","960000","","960000","","","","","3","P 1 21/n 1","-P 2yn","14","triruthenium dodecacarbonyl","triruthenium dodecacarbonyl","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley","High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy","Inorganic Chemistry","2004","43","","5245","5252","10.1021/ic049617y","","x-ray","0.71073","MoKα","","0.0513","0.0498","","","0.127","0.1271","","","","","","1.344","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311838","7.7435","0.001","14.141","0.002","13.83","0.002","90","","100.195","0.01","90","","1490.5","0.4","293","2","293","2","1800000","","1800000","","","","","3","P 1 21/n 1","-P 2yn","14","triruthenium dodecacarbonyl","triruthenium dodecacarbonyl","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley","High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy","Inorganic Chemistry","2004","43","","5245","5252","10.1021/ic049617y","","x-ray","0.71073","MoKα","","0.0511","0.0507","","","0.1256","0.1256","","","","","","1.339","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311839","7.5883","0.001","13.896","0.002","13.541","0.002","90","","100.336","0.01","90","","1404.7","0.3","293","2","293","2","3430000","","3430000","","","","","3","P 1 21/n 1","-P 2yn","14","triruthenium dodecacarbonyl","triruthenium dodecacarbonyl","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley","High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy","Inorganic Chemistry","2004","43","","5245","5252","10.1021/ic049617y","","x-ray","","MoKα","","0.0469","0.0459","","","0.1117","0.1121","","","","","","1.318","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311840","7.509","0.001","13.741","0.002","13.337","0.002","90","","100.15","0.01","90","","1354.6","0.3","293","2","293","2","4630000","","","","","","","3","P 1 21/n 1","-P 2yn","14","triruthenium dodecacarbonyl","triruthenium dodecacarbonyl","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley","High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy","Inorganic Chemistry","2004","43","","5245","5252","10.1021/ic049617y","","x-ray","","MoKα","","0.0491","0.0438","","","0.1024","0.1042","","","","","","1.308","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311841","7.4412","0.001","13.628","0.002","13.183","0.002","90","","100.132","0.01","90","","1316","0.3","293","2","293","2","5800000","","5800000","","","","","3","P 1 21/n 1","-P 2yn","14","triruthenium dodecacarbonyl","triruthenium dodecacarbonyl","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley","High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy","Inorganic Chemistry","2004","43","","5245","5252","10.1021/ic049617y","","x-ray","","MoKα","","0.0487","0.0441","","","0.1128","0.1148","","","","","","1.278","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311842","7.3892","0.001","13.553","0.002","13.079","0.002","90","","100.244","0.01","90","","1288.9","0.3","293","2","293","2","7120000","","7120000","","","","","3","P 1 21/n 1","-P 2yn","14","triruthenium dodecacarbonyl","triruthenium dodecacarbonyl","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley","High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy","Inorganic Chemistry","2004","43","","5245","5252","10.1021/ic049617y","","x-ray","","MoKα","","0.0548","0.0453","","","0.0977","0.1142","","","","","","1.314","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311843","10.347","0.004","10.39","0.004","21.833","0.008","77.937","0.005","88.261","0.005","72.257","0.005","2184.8","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33 Cd2 Cl0 N6 O15 -","- C44 H33 Cd2 N6 O15 -","- C88 H66 Cd4 N12 O30 -","2","1","","Ru-Qiang Zou; Xian-He Bu; Ruo-Hua Zhang","Novel Eclipsed 2D Cadmium(II) Coordination Polymers with Open-Channel Structure Constructed from Terephthalate and 3-(2-Pyridyl)pyrazole: Crystal Structures, Emission Properties, and Inclusion of Guest Molecules","Inorganic Chemistry","2004","43","","5382","5386","10.1021/ic049625e","","","0.71073","MoKα","","0.0436","0.0278","","","0.0612","0.0671","","","","","","1.041","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311844","10.329","0.004","10.354","0.004","12.222","0.005","113.765","0.006","92.672","0.007","108.919","0.006","1107.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N6 O6 -","- C24 H11 Cd N6 O6 -","- C48 H22 Cd2 N12 O12 -","2","1","","Ru-Qiang Zou; Xian-He Bu; Ruo-Hua Zhang","Novel Eclipsed 2D Cadmium(II) Coordination Polymers with Open-Channel Structure Constructed from Terephthalate and 3-(2-Pyridyl)pyrazole: Crystal Structures, Emission Properties, and Inclusion of Guest Molecules","Inorganic Chemistry","2004","43","","5382","5386","10.1021/ic049625e","","","0.71073","MoKα","","0.1033","0.0712","","","0.1949","0.2166","","","","","","1.103","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311845","10.325","0.003","10.372","0.003","12.344","0.003","67.148","0.004","72.038","0.004","74.932","0.005","1143.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.25 H18.25 Cd N3 O5 -","- C20.25 H14 Cd N3 O5 -","- C40.5 H28 Cd2 N6 O10 -","2","1","","Ru-Qiang Zou; Xian-He Bu; Ruo-Hua Zhang","Novel Eclipsed 2D Cadmium(II) Coordination Polymers with Open-Channel Structure Constructed from Terephthalate and 3-(2-Pyridyl)pyrazole: Crystal Structures, Emission Properties, and Inclusion of Guest Molecules","Inorganic Chemistry","2004","43","","5382","5386","10.1021/ic049625e","","","0.71073","MoKα","","0.0919","0.0586","","","0.1302","0.1412","","","","","","1.224","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311846","10.347","0.005","20.5","0.009","23.426","0.01","102.858","0.007","95.683","0.007","103.896","0.007","4641","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H93 Cd4 N12 O16 -","- C99 H93 Cd4 N12 O16 -","- C198 H186 Cd8 N24 O32 -","2","1","","Ru-Qiang Zou; Xian-He Bu; Ruo-Hua Zhang","Novel Eclipsed 2D Cadmium(II) Coordination Polymers with Open-Channel Structure Constructed from Terephthalate and 3-(2-Pyridyl)pyrazole: Crystal Structures, Emission Properties, and Inclusion of Guest Molecules","Inorganic Chemistry","2004","43","","5382","5386","10.1021/ic049625e","","","0.71073","MoKα","","0.1156","0.046","","","0.0736","0.092","","","","","","0.955","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311847","10.352","0.003","10.373","0.004","12.158","0.004","94.659","0.005","114.699","0.005","105.995","0.005","1111","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Cd N3 O4 -","- C21 H15 Cd N3 O4 -","- C42 H30 Cd2 N6 O8 -","2","1","","Ru-Qiang Zou; Xian-He Bu; Ruo-Hua Zhang","Novel Eclipsed 2D Cadmium(II) Coordination Polymers with Open-Channel Structure Constructed from Terephthalate and 3-(2-Pyridyl)pyrazole: Crystal Structures, Emission Properties, and Inclusion of Guest Molecules","Inorganic Chemistry","2004","43","","5382","5386","10.1021/ic049625e","","","0.71073","MoKα","","0.0571","0.0428","","","0.1055","0.1123","","","","","","1.057","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311848","10.351","0.004","10.383","0.004","11.932","0.004","93.405","0.005","113.883","0.006","107.786","0.006","1091.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N6 O6 -","- C16 H11 Cd N3 O4 -","- C32 H22 Cd2 N6 O8 -","2","1","","Ru-Qiang Zou; Xian-He Bu; Ruo-Hua Zhang","Novel Eclipsed 2D Cadmium(II) Coordination Polymers with Open-Channel Structure Constructed from Terephthalate and 3-(2-Pyridyl)pyrazole: Crystal Structures, Emission Properties, and Inclusion of Guest Molecules","Inorganic Chemistry","2004","43","","5382","5386","10.1021/ic049625e","","","0.71073","MoKα","","0.0855","0.0437","","","0.0862","0.096","","","","","","0.84","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311849","15.219","0.003","19.752","0.004","21.337","0.004","116.18","0.03","105.44","0.03","90.63","0.03","5487","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H114 Cl8 Fe2 N6 O12 S2 -","- C120 H114 Cl8 Fe2 N6 O12 S2 -","- C240 H228 Cl16 Fe4 N12 O24 S4 -","2","1","","Scott A. Hilderbrand; Stephen J. Lippard","Nitric Oxide Reactivity of Fluorophore Coordinated Carboxylate-Bridged Diiron(II) and Dicobalt(II) Complexes","Inorganic Chemistry","2004","43","","5294","5301","10.1021/ic049649l","","","0.71073","MoKα","","0.1266","0.0743","","","0.158","0.1836","","","","","","1.026","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311850","15.191","0.007","19.66","0.009","21.298","0.013","115.974","0.007","105.369","0.011","90.353","0.008","5459","5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H112 Cl8 Co2 N6 O12 S2 -","- C119.8 H111 Cl7.8 Co2 N6 O12 S2 -","- C239.6 H222 Cl15.6 Co4 N12 O24 S4 -","2","1","","Scott A. Hilderbrand; Stephen J. Lippard","Nitric Oxide Reactivity of Fluorophore Coordinated Carboxylate-Bridged Diiron(II) and Dicobalt(II) Complexes","Inorganic Chemistry","2004","43","","5294","5301","10.1021/ic049649l","","","0.71073","MoKα","","0.1055","0.0696","","","0.1791","0.2017","","","","","","1.04","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311851","12.582","0.003","13.76","0.004","16.521","0.003","100.985","0.01","106.601","0.011","103.58","0.02","2560.5","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H110 Co2 N6 O13 S2 -","- C120 H110 Co2 N6 O13 S2 -","- C120 H110 Co2 N6 O13 S2 -","1","0.5","","Scott A. Hilderbrand; Stephen J. Lippard","Nitric Oxide Reactivity of Fluorophore Coordinated Carboxylate-Bridged Diiron(II) and Dicobalt(II) Complexes","Inorganic Chemistry","2004","43","","5294","5301","10.1021/ic049649l","","","0.71073","MoKα","","0.0862","0.0673","","","0.1687","0.1827","","","","","","1.104","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311852","11.9834","0.0018","12.9073","0.0019","14.474","0.002","71.121","0.002","76.355","0.002","77.119","0.002","2032.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl Co2 N4 O8 -","- C42.5 H34 Cl Co2 N4 O8 -","- C85 H68 Cl2 Co4 N8 O16 -","2","1","","Scott A. Hilderbrand; Stephen J. Lippard","Nitric Oxide Reactivity of Fluorophore Coordinated Carboxylate-Bridged Diiron(II) and Dicobalt(II) Complexes","Inorganic Chemistry","2004","43","","5294","5301","10.1021/ic049649l","","","0.71073","MoKα","","0.049","0.0402","","","0.1042","0.113","","","","","","1.079","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311853","28.32","0.013","6.594","0.003","19.966","0.009","90","","117.454","0.007","90","","3309","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 N16 O12 S4 -","- C64 H80 N16 O12 S4 -","- C128 H160 N32 O24 S8 -","2","0.25","","Scott A. Hilderbrand; Stephen J. Lippard","Nitric Oxide Reactivity of Fluorophore Coordinated Carboxylate-Bridged Diiron(II) and Dicobalt(II) Complexes","Inorganic Chemistry","2004","43","","5294","5301","10.1021/ic049649l","","","0.71073","MoKα","","0.0865","0.06","","","0.1215","0.1317","","","","","","1.109","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311854","16.251","0.003","18.415","0.004","19.481","0.004","114.62","0.03","110.55","0.03","95.69","0.03","4752","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H210 Cl10 Cu24 N12 O167 Sm6 -","- C48 Cl10 Cu24 N12 O167 Sm6 -","- C48 Cl10 Cu24 N12 O167 Sm6 -","1","0.5","","Jian-Jun Zhang; Tian-Lu Sheng; Sheng-Qin Xia; Guido Leibeling; Franc Meyer; Sheng-Min Hu; Rui-Biao Fu; Sheng-Chang Xiang; Xin-Tao Wu","Syntheses and Characterizations of a Series of Novel Ln6Cu24 Clusters with Amino Acids as Ligands","Inorganic Chemistry","2004","43","","5472","5478","10.1021/ic0497073","","","0.71073","MoKα","","0.0482","0.0456","","","0.1218","0.1234","","","","","","1.057","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311855","18.791","0.0002","18.8588","0.0003","19.8593","0.0001","101.12","","103.046","0.001","119.744","0.001","5552.65","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H219 Cl11 Cu24 N12 O163 Tb6 -","- C48 Cl11 Cu24 N12 O163 Tb6 -","- C48 Cl11 Cu24 N12 O163 Tb6 -","1","0.5","","Jian-Jun Zhang; Tian-Lu Sheng; Sheng-Qin Xia; Guido Leibeling; Franc Meyer; Sheng-Min Hu; Rui-Biao Fu; Sheng-Chang Xiang; Xin-Tao Wu","Syntheses and Characterizations of a Series of Novel Ln6Cu24 Clusters with Amino Acids as Ligands","Inorganic Chemistry","2004","43","","5472","5478","10.1021/ic0497073","","","0.71073","MoKα","","","0.0693","","","0.183","0.2049","","","","","","1.153","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311856","8.905","0.003","11.137","0.004","17.484","0.002","82.342","0.006","81.312","0.003","82.361","0.004","1687.5","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu2 N4 O14 -","- C30 H34 Cu2 N4 O14 -","- C60 H68 Cu4 N8 O28 -","2","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Puckered-Boat Conformation Hexameric Water Clusters Stabilized in a 2D Metal-Organic Framework Structure Built from Cu(II) and 1,2,4,5-Benzenetetracarboxylic Acid","Inorganic Chemistry","2004","43","","5180","5182","10.1021/ic049739q","","","0.71069","MoKα","","0.0372","0.0331","","","0.0888","0.0914","","","","","","1.067","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311857","11.0103","0.0004","11.7826","0.0004","12.0065","0.0004","64.441","0.001","76.394","0.001","83.704","0.001","1365.68","0.08","153","2","153","2","","","","","","","","7","P -1","-P 1","2","[Ru(1,10-phenantroline)(pyridine)(1,4,7-trithiacyclononane](ClO4)2","","","- C23 H27 Cl2 N3 O9 Ru S3 -","- C23 H27 Cl2 N3 O9 Ru S3 -","- C46 H54 Cl4 N6 O18 Ru2 S6 -","2","1","","Xavier Sala; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Gabriel González; Manuel Martínez; Jordi Benet-Buchholz","Synthesis, Structure, and Substitution Mechanism of New Ru(II) Complexes Containing 1,4,7-Trithiacyclononane and 1,10-Phenanthroline Ligands","Inorganic Chemistry","2004","43","","5403","5409","10.1021/ic0497533","","","0.71073","MoKα","","0.0462","0.0436","","","0.1189","0.1221","","","","","","1.049","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4311858","14.3977","0.001","33.495","0.003","21.2512","0.0016","90","","95.88","0.003","90","","10194.5","1.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Ru(1,10-phenantroline)(acetonitrile)(1,4,7-trithiacyclononane)](PF6)2","","","- C80 H92 Cl8 N12 O32 Ru4 S12 -","- C80 H92 Cl8 N12 O32 Ru4 S12 -","- C320 H368 Cl32 N48 O128 Ru16 S48 -","4","1","","Xavier Sala; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Gabriel González; Manuel Martínez; Jordi Benet-Buchholz","Synthesis, Structure, and Substitution Mechanism of New Ru(II) Complexes Containing 1,4,7-Trithiacyclononane and 1,10-Phenanthroline Ligands","Inorganic Chemistry","2004","43","","5403","5409","10.1021/ic0497533","","","0.71073","MoKα","","0.1405","0.0762","","","0.1847","0.2124","","","","","","1.013","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4311859","24.3735","0.0013","21.8576","0.0013","18.0034","0.0009","90","","119.775","0.001","90","","8325","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H84 F24 N4 P8 Pd2 -","- C76 H84 F24 N4 P8 Pd2 -","- C304 H336 F96 N16 P32 Pd8 -","4","0.5","","Stéphanie Sicard; Jean-François Bérubé; Dalila Samar; Abdelhalim Messaoudi; Daniel Fortin; Frédéric Lebrun; Jean-François Fortin; Andreas Decken; Pierre D. Harvey","Mixed-Ligand Organometallic Polymers Containing the ""Pd2(dmb)22+"" Fragment: Properties of the {Pd2(dmb)2(diphos)2+}n Polymers/Oligomers in Solution and in the Solid State","Inorganic Chemistry","2004","43","","5321","5334","10.1021/ic049923b","","","0.71073","MoKα","","0.0731","0.0598","","","0.1718","0.1811","","","","","","1.091","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311860","9.885","0.001","26.997","0.003","9.929","0.001","90","","113.03","0.01","90","","2438.5","0.5","273.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 Cs3 N2 O18 V2 -","- C11 H13 Cs3 N2 O18 V2 -","- C44 H52 Cs12 N8 O72 V8 -","4","1","","Kan Kanamori; Kazuya Nishida; Nanako Miyata; Toshiyuki Shimoyama; Kaori Hata; Chie Mihara; Ken-ichi Okamoto; Yuriko Abe; Shingo Hayakawa; Seiichi Matsugo","Mononuclear and Dinuclear Monoperoxovanadium(V) Complexes with a Hetero Ligand. 1.1 Self-Decomposition Reaction, Detection of Reactive Oxygen Species, and Oxidizing Ability","Inorganic Chemistry","2004","43","","7127","7140","10.1021/ic030292f","","","0.7107","MoKα","","","0.0559","","","","0.1574","","","","","","1.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311861","9.7376","0.0008","6.5471","0.0005","12.8178","0.0011","90","","94.104","0.001","90","","815.08","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","uranylbromide-trihydrate","dioxouraniumdibromide-trihydrate","","- Br2 H6 O5 U -","- Br2 H6 O5 U -","- Br8 H24 O20 U4 -","4","1","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter","Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides","Inorganic Chemistry","2004","43","","7120","7126","10.1021/ic0354926","","","0.71073","MoKα","","0.0555","0.047","","","0.1188","0.121","","","","","","1.062","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311862","10.6519","0.0003","10.6519","0.0003","24.0758","0.0006","90","","90","","90","","2731.71","0.13","200","2","202","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","diiodo-bis(hexamethylphosphoramide)dioxouranium(VI)","diiodo-bis(hexamethylphosphoramide)dioxouranium(VI)","","- C12 H36 I2 N6 O4 P2 U -","- C12 H36 I2 N6 O4 P2 U -","- C48 H144 I8 N24 O16 P8 U4 -","4","0.5","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter","Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides","Inorganic Chemistry","2004","43","","7120","7126","10.1021/ic0354926","","","0.71073","MoKα","","0.05","0.0464","","","0.1374","0.1405","","","","","","1.11","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311863","9.5834","0.0003","18.9208","0.0007","10.8624","0.0005","90","","115.041","0.0016","90","","1784.49","0.12","200","2","202","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I1.01 N0.98 O6.96 P2 U -","- C36 H30 I1.014 N0.98 O6.958 P2 U -","- C72 H60 I2.028 N1.96 O13.916 P4 U2 -","2","0.5","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter","Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides","Inorganic Chemistry","2004","43","","7120","7126","10.1021/ic0354926","","","0.71073","MoKα","","0.1003","0.0611","","","0.1196","0.1297","","","","","","1.163","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311864","6.0568","0.0007","10.5117","0.0009","10.3623","0.0012","90","","99.616","0.014","90","","650.47","0.12","200","2","202","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br4 H8 O8 U2 -","- Br4 H8 O8 U2 -","- Br8 H16 O16 U4 -","2","0.5","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter","Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides","Inorganic Chemistry","2004","43","","7120","7126","10.1021/ic0354926","","","0.71073","MoKα","","0.0375","0.0265","","","0.532","0.0551","","","","","","0.932","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311865","10.4645","0.0001","10.4645","0.0001","23.7805","0.0003","90","","90","","90","","2604.1","0.05","200","2","202","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C12 H36 Br2 N6 O4 P2 U -","- C12 H36 Br2 N6 O4 P2 U -","- C48 H144 Br8 N24 O16 P8 U4 -","4","0.5","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter","Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides","Inorganic Chemistry","2004","43","","7120","7126","10.1021/ic0354926","","","0.71073","MoKα","","0.0487","0.0392","","","0.0942","0.0986","","","","","","1.097","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311866","9.5643","0.0001","18.8968","0.0003","10.9042","0.0002","90","","115.213","0.0005","90","","1783.01","0.05","200","2","202","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I2 O4 P2 U -","- C36 H30 I2 O4 P2 U -","- C72 H60 I4 O8 P4 U2 -","2","0.5","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter","Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides","Inorganic Chemistry","2004","43","","7120","7126","10.1021/ic0354926","","","0.71073","MoKα","","0.0483","0.0366","","","0.086","0.0903","","","","","","1.081","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311867","11.824","0.002","8.4342","0.0018","12.088","0.002","90","","97.783","0.006","90","","1194.4","0.4","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cl F17 Sb2 -","- Cl F17 Sb2 -","- Cl4 F68 Sb8 -","4","1","","John F. Lehmann; Gary J. Schrobilgen; Karl O. Christe; Andreas Kornath; Reijo J. Suontamo","X-ray Crystal Structures of [XF6][Sb2F11] (X = Cl, Br, I); 35,37Cl, 79,81Br, and 127I NMR Studies and Electronic Structure Calculations of the XF6+ Cations","Inorganic Chemistry","2004","43","","6905","6921","10.1021/ic040015o","","","0.71073","MoKα","","0.081","0.0488","","","0.0991","0.107","","","","","","1.07","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311868","11.93","0.002","8.4918","0.0015","12.103","0.002","90","","97.558","0.004","90","","1215.5","0.4","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Br2 F17 Sb2 -","- Br F17 Sb2 -","- Br4 F68 Sb8 -","4","1","","John F. Lehmann; Gary J. Schrobilgen; Karl O. Christe; Andreas Kornath; Reijo J. Suontamo","X-ray Crystal Structures of [XF6][Sb2F11] (X = Cl, Br, I); 35,37Cl, 79,81Br, and 127I NMR Studies and Electronic Structure Calculations of the XF6+ Cations","Inorganic Chemistry","2004","43","","6905","6921","10.1021/ic040015o","","","0.71073","MoKα","","0.1171","0.0707","","","0.1462","0.1577","","","","","","1.142","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311869","11.844","0.0013","8.617","0.0011","11.979","0.002","90","","98.915","0.002","90","","1207.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- F17 I Sb2 -","- F17 I Sb2 -","- F68 I4 Sb8 -","4","1","","John F. Lehmann; Gary J. Schrobilgen; Karl O. Christe; Andreas Kornath; Reijo J. Suontamo","X-ray Crystal Structures of [XF6][Sb2F11] (X = Cl, Br, I); 35,37Cl, 79,81Br, and 127I NMR Studies and Electronic Structure Calculations of the XF6+ Cations","Inorganic Chemistry","2004","43","","6905","6921","10.1021/ic040015o","","","0.71073","MoKα","","0.0519","0.0217","","","0.0508","0.0601","","","","","","0.961","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311870","8.904","0.003","10.056","0.004","19.464","0.01","78.32","0.04","83.15","0.03","69.71","0.03","1598.5","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H41 Cu1.5 Mo N14 O2.5 -","- C23 H30 Cu1.5 Mo N14 O2.5 -","- C46 H60 Cu3 Mo2 N28 O5 -","2","1","","Young Sin You; Dohyeon Kim; Youngkyu Do; Sang Jun Oh; Chang Seop Hong","One-Dimensional Octacyanomolybdate-Based Cu(II)-Mo(V) Bimetallic Assembly with a Novel Rope-Ladder Chain Structure","Inorganic Chemistry","2004","43","","6899","6901","10.1021/ic048856i","","","0.71073","MoKα","","0.0565","0.042","","","0.1057","0.1132","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311871","7.2455","0.0002","16.2229","0.0005","14.593","0.0003","90","","94.2371","0.0015","90","","1710.62","0.08","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H10 Co Fe I4 -","- C10 H10 Co Fe I4 -","- C40 H40 Co4 Fe4 I16 -","4","1","","Jesse M. Migliori; William M. Reiff; Atta M. Arif; Joel S. Miller","Observation of Hysteretic Bistability in [CoIIICp2]+[FeIIII4]-","Inorganic Chemistry","2004","43","","6875","6877","10.1021/ic049000g","","","0.71073","MoKα","","0.0381","0.0323","","","0.0773","0.0801","","","","","","1.122","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311872","21.536","0.008","8.172","0.003","15.408","0.003","90","","99.02","0.02","90","","2678.2","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cl Cu N6 O8 -","- C28 H22 Cl Cu N6 O8 -","- C112 H88 Cl4 Cu4 N24 O32 -","4","0.5","","Sandip Banthia; Anunay Samanta","In Situ Reduction of Copper(II) Forming an Unusually Air Stable Linear Complex of Copper(I) with a Fluorescent Tag","Inorganic Chemistry","2004","43","","6890","6892","10.1021/ic0490019","","","0.71073","MoKα","","0.137","0.0744","","","0.1626","0.2022","","","","","","1.033","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311873","12.2809","0.0006","16.36","0.0007","19.0208","0.0009","90","","101.817","0.001","90","","3740.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 O12 P Pt Ru5 -","- C31 H33 O12 P Pt Ru5 -","- C124 H132 O48 P4 Pt4 Ru20 -","4","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Lei Zhu","Addition of Pt(PBut3) Groups to Ru5(CO)12(η6-C6H6)(μ5-C). Synthesis, Structures, and Dynamical Activity","Inorganic Chemistry","2004","43","","7243","7249","10.1021/ic049004l","","","0.71073","MoKα","","0.0277","0.0222","","","0.0479","0.0499","","","","","","1.025","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311874","10.2939","0.0011","19.369","0.002","11.1354","0.0012","90","","105.122","0.002","90","","2143.3","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H39 O12 P Pt Ru5 -","- C37 H39 O12 P Pt Ru5 -","- C74 H78 O24 P2 Pt2 Ru10 -","2","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Lei Zhu","Addition of Pt(PBut3) Groups to Ru5(CO)12(η6-C6H6)(μ5-C). Synthesis, Structures, and Dynamical Activity","Inorganic Chemistry","2004","43","","7243","7249","10.1021/ic049004l","","","0.71073","MoKα","","0.0472","0.037","","","0.0753","0.0798","","","","","","1.003","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311875","12.2868","0.0003","25.0945","0.0006","35.1135","0.0008","90","","90","","90","","10826.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H63 O12 P2 Pt2 Ru5 -","- C46 H63 O12 P2 Pt2 Ru5 -","- C368 H504 O96 P16 Pt16 Ru40 -","8","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Lei Zhu","Addition of Pt(PBut3) Groups to Ru5(CO)12(η6-C6H6)(μ5-C). Synthesis, Structures, and Dynamical Activity","Inorganic Chemistry","2004","43","","7243","7249","10.1021/ic049004l","","","0.71073","MoKα","","0.0607","0.0482","","","0.0985","0.1072","","","","","","1.228","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311876","9.9622","0.0006","18.5553","0.0011","21.1612","0.0013","90","","98.719","0.002","90","","3866.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 O11 P Pt Ru5 -","- C30 H35 O11 P Pt Ru5 -","- C120 H140 O44 P4 Pt4 Ru20 -","4","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Lei Zhu","Addition of Pt(PBut3) Groups to Ru5(CO)12(η6-C6H6)(μ5-C). Synthesis, Structures, and Dynamical Activity","Inorganic Chemistry","2004","43","","7243","7249","10.1021/ic049004l","","","0.71073","MoKα","","0.0625","0.0445","","","0.0804","0.0862","","","","","","1.072","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311877","9.771","0.003","33.042","0.008","12.751","0.003","90","","124.894","0.015","90","","3376.6","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tantalum amide silyl","","- C28 H55 N4 Si3 Ta -","- C28 H55 N4 Si3 Ta -","- C112 H220 N16 Si12 Ta4 -","4","1","","Xianghua Yu; Siwei Bi; Ilia A. Guzei; Zhenyang Lin; Zi-Ling Xue","Zirconium, Hafnium, and Tantalum Amide Silyl Complexes: Their Preparation and Conversion to Metallaheterocyclic Complexes via γ-Hydrogen Abstraction by Silyl Ligands","Inorganic Chemistry","2004","43","","7111","7119","10.1021/ic049023v","","","0.71073","MoKα","","0.0302","0.0261","","","0.056","0.0572","","","","","","1.198","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311878","10.172","0.006","14.421","0.009","18.947","0.012","105.425","0.01","99.529","0.01","105.11","0.01","2503","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Zirconium","Zirconium Cyclic Amide","","- C28 H82 N6 Si8 Zr2 -","- C28 H82 N6 Si8 Zr2 -","- C56 H164 N12 Si16 Zr4 -","2","1","","Xianghua Yu; Siwei Bi; Ilia A. Guzei; Zhenyang Lin; Zi-Ling Xue","Zirconium, Hafnium, and Tantalum Amide Silyl Complexes: Their Preparation and Conversion to Metallaheterocyclic Complexes via γ-Hydrogen Abstraction by Silyl Ligands","Inorganic Chemistry","2004","43","","7111","7119","10.1021/ic049023v","","","0.71073","MoKα","","0.0647","0.0346","","","0.0775","0.0926","","","","","","0.967","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311879","10.151","0.004","14.368","0.005","18.921","0.007","105.33","0.006","99.331","0.006","105.157","0.006","2488.3","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Hafnium amide cyclic complex","","- C28 H82 Hf2 N6 Si8 -","- C28 H78 Hf2 N6 Si8 -","- C56 H156 Hf4 N12 Si16 -","2","1","","Xianghua Yu; Siwei Bi; Ilia A. Guzei; Zhenyang Lin; Zi-Ling Xue","Zirconium, Hafnium, and Tantalum Amide Silyl Complexes: Their Preparation and Conversion to Metallaheterocyclic Complexes via γ-Hydrogen Abstraction by Silyl Ligands","Inorganic Chemistry","2004","43","","7111","7119","10.1021/ic049023v","","","0.71073","MoKα","","0.0508","0.0331","","","0.0789","0.0921","","","","","","0.848","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311880","10.229","0.003","29.358","0.008","18.166","0.005","90","","105.498","0.005","90","","5257","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Zirconium Amide","","- C14 H42 Cl N3 Si4 Zr -","- C14 H42 Cl N3 Si4 Zr -","- C112 H336 Cl8 N24 Si32 Zr8 -","8","2","","Xianghua Yu; Siwei Bi; Ilia A. Guzei; Zhenyang Lin; Zi-Ling Xue","Zirconium, Hafnium, and Tantalum Amide Silyl Complexes: Their Preparation and Conversion to Metallaheterocyclic Complexes via γ-Hydrogen Abstraction by Silyl Ligands","Inorganic Chemistry","2004","43","","7111","7119","10.1021/ic049023v","","","0.71073","MoKα","","0.1118","0.0535","","","0.116","0.1366","","","","","","1.022","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311881","18.9475","0.0001","27.4414","0.0001","17.4546","0.0001","90","","116.4","0.0003","90","","8128.99","0.07","115","2","115","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H85 I Mo7 N4 O26 P2 -","- C70 H76 I Mo7 N4 O26 P2 -","- C280 H304 I4 Mo28 N16 O104 P8 -","4","1","","Daisuke Honda; Tomoji Ozeki; Atsushi Yagasaki","[(IMo7O26)2]6-: A Missing Link between Molecular and Solid Oxides","Inorganic Chemistry","2004","43","","6893","6895","10.1021/ic0490425","","","0.689","synchrotron","","0.0289","0.0228","","","0.0726","0.0814","","","","","","1.197","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311882","8.5118","0.0016","10.931","0.002","14.329","0.003","90","","103.923","0.003","90","","1294","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 N8 O6 P2 U -","- C14 H36 N8 O6 P2 U -","- C28 H72 N16 O12 P4 U2 -","2","0.5","","Margaret-Jane Crawford; Peter Mayer; Heinrich Nöth; Max Suter","First Structurally Characterized Actinide Isocyanates","Inorganic Chemistry","2004","43","","6860","6862","10.1021/ic049078x","","","0.71073","MoKα","","0.0308","0.0247","","","0.0656","0.0689","","","","","","1.028","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311883","17.2787","0.0002","15.561","0.0001","32.7619","0.0004","90","","94.0849","0.0005","90","","8786.44","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H128 N18 O21 U4 -","- C62 H126 N18 O21 U4 -","- C248 H504 N72 O84 U16 -","4","1","","Margaret-Jane Crawford; Peter Mayer; Heinrich Nöth; Max Suter","First Structurally Characterized Actinide Isocyanates","Inorganic Chemistry","2004","43","","6860","6862","10.1021/ic049078x","","","0.71073","MoKα","","0.1041","0.0581","","","0.1078","0.1245","","","","","","1.026","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311884","12.638","0.0006","16.7017","0.0008","26.4479","0.0013","90","","94.008","0.001","90","","5568.9","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Cu2.5 N11 O21 -","- C48 H59 Cu2.5 N11 O21 -","- C192 H236 Cu10 N44 O84 -","4","1","","Sujit K. Ghosh; Parimal K. Bharadwaj","Structure of a Discrete Hexadecameric Water Cluster in a Metal-Organic Framework Structure","Inorganic Chemistry","2004","43","","6887","6889","10.1021/ic049111f","","","0.71073","MoKα","","0.0408","0.035","","","0.0944","0.0977","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311885","7.9426","0.0012","14.724","0.002","7.2916","0.0011","90","","109.526","0.002","90","","803.7","0.2","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(3,5-dichlorophenyl)-formamide","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.0464","0.0427","","","0.1171","0.1216","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311886","12.924","0.003","15.897","0.004","16.704","0.004","69.945","0.004","74.968","0.005","87.891","0.005","3108.3","1.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","W2(DAniF)4(mu-CO)2.CH2Cl2","","","- C63 H62 Cl2 N8 O10 W2 -","- C63 H62 Cl2 N8 O10 W2 -","- C126 H124 Cl4 N16 O20 W4 -","2","1","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.0905","0.0645","","","0.1697","0.1906","","","","","","1.037","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4311887","12.6573","0.0011","13.2668","0.0012","17.925","0.0015","90","","105.802","0.002","90","","2896.2","0.4","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","(DAniF)3(CH2DAniF)W2(mu-CO)2","","","- C63 H62 N8 O10 W2 -","- C63 H62 N8 O10 W2 -","- C126 H124 N16 O20 W4 -","2","1","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.1036","0.072","","","0.1349","0.1509","","","","","","1.04","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311888","28.691","0.014","12.844","0.005","18.647","0.008","90","","90.093","0.011","90","","6872","5","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","(DAniF)4W2(mu-CO)(mu-CNC6H4OCH3),C6H14","","","- C75 H81 N9 O10 W2 -","- C75 H67 N9 O10 W2 -","- C300 H268 N36 O40 W8 -","4","1","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.091","0.0544","","","0.1191","0.1374","","","","","","0.999","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00",""
"4311889","10.272","0.002","10.38","0.002","13.952","0.003","80.42","0.03","75.61","0.03","81.69","0.03","1412.5","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","W2(DAniF)4","","","- C60 H60 N8 O8 W2 -","- C60 H60 N8 O8 W2 -","- C60 H60 N8 O8 W2 -","1","0.5","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.0236","0.0216","","","0.0521","0.0532","","","","","","1.069","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311890","9.8234","0.0011","11.7146","0.0013","14.3771","0.0016","97.897","0.002","104.285","0.002","113.53","0.002","1417.2","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","W2(D(Cl)PhF)4","Ditungsten(II) tetra(N,N'-3,5-dichlorophenyl)formamidinate","","- C52 H28 Cl16 N8 W2 -","- C52 H28 Cl16 N8 W2 -","- C52 H28 Cl16 N8 W2 -","1","0.5","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.0553","0.0386","","","0.0799","0.0864","","","","","","1.006","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311891","12.708","0.003","13.846","0.004","21.235","0.006","72.053","0.005","75.449","0.004","71.703","0.005","3325.1","1.6","213","2","213","2","","","","","","","","6","P -1","-P 1","2","W2(D(Cl)PhF)4(mu-o)(mu-N-C6H3Cl2)","","","- C58 H31 Cl18 N9 O W2 -","- C58 H31 Cl18 N9 O W2 -","- C116 H62 Cl36 N18 O2 W4 -","2","1","","F. Albert Cotton; James P. Donahue; Michael B. Hall; Carlos A. Murillo; Dino Villagrán","Reaction Products of W(CO)6 with Formamidines; Electronic Structure of a W2(μ-CO)2 Core with Unsymmetric Bridging Carbonyls","Inorganic Chemistry","2004","43","","6954","6964","10.1021/ic049116c","","","0.71073","MoKα","","0.0873","0.051","","","0.1122","0.1299","","","","","","1.041","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311892","5.833576","0.000004","5.833576","0.000004","8.283003","0.000002","90","","90","","120","","244.111","0.0002","","","","","","","","","","","","4","P -3","-P 3","147","","","","- Cr2 Li14 N8 O -","- Cr2 Li14.0001 N8.00006 O1.00003 -","- Cr2 Li14.0001 N8.00006 O1.00003 -","1","0.166667","","Jordi Cabana; Christopher D. Ling; Judith Oró-Solé; Damien Gautier; Gerard Tobías; Stefan Adams; Enric Canadell; M. Rosa Palacín","Antifluorite-Type Lithium Chromium Oxide Nitrides: Synthesis, Structure, Order, and Electrochemical Properties","Inorganic Chemistry","2004","43","","7050","7060","10.1021/ic049138z","powder diffraction","neutron","2.41782","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.1191","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311893","3.67679","0.00003","3.67679","0.00003","3.88047","0.00003","90","","90","","120","","45.431","0.0006","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Li3 N -","- Li3 N -","- Li3 N -","1","0.0416667","","Jordi Cabana; Christopher D. Ling; Judith Oró-Solé; Damien Gautier; Gerard Tobías; Stefan Adams; Enric Canadell; M. Rosa Palacín","Antifluorite-Type Lithium Chromium Oxide Nitrides: Synthesis, Structure, Order, and Electrochemical Properties","Inorganic Chemistry","2004","43","","7050","7060","10.1021/ic049138z","powder diffraction","neutron","2.41782","ConstantWavelengthNeutronDiffraction","","","","","","","","","10.1581","","","","","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311894","4.81103","0.00004","4.81103","0.00004","4.47738","0.00005","90","","90","","120","","89.7492","0.0015","","","","","","","","","","","","2","P -3 1 m","-P 3 2","162","","","","- Cr2 N -","- Cr2 N -","- Cr6 N3 -","3","0.25","","Jordi Cabana; Christopher D. Ling; Judith Oró-Solé; Damien Gautier; Gerard Tobías; Stefan Adams; Enric Canadell; M. Rosa Palacín","Antifluorite-Type Lithium Chromium Oxide Nitrides: Synthesis, Structure, Order, and Electrochemical Properties","Inorganic Chemistry","2004","43","","7050","7060","10.1021/ic049138z","powder diffraction","neutron","2.41782","ConstantWavelengthNeutronDiffraction","","","","","","","","","16.4675","","","","","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311895","4.627","0.003","4.627","0.003","4.627","0.003","90","","90","","90","","99.06","0.11","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Jordi Cabana; Christopher D. Ling; Judith Oró-Solé; Damien Gautier; Gerard Tobías; Stefan Adams; Enric Canadell; M. Rosa Palacín","Antifluorite-Type Lithium Chromium Oxide Nitrides: Synthesis, Structure, Order, and Electrochemical Properties","Inorganic Chemistry","2004","43","","7050","7060","10.1021/ic049138z","powder diffraction","neutron","2.41782","ConstantWavelengthNeutronDiffraction","","","","","","","","","22.4827","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311896","11.7984","0.0005","14.7047","0.0006","16.5434","0.0007","90.168","0.001","104.665","0.001","98.719","0.001","2742","0.2","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C138 H106 Co3 N22 O4 -","- C138 H90 Co3 N22 O4 -","- C138 H90 Co3 N22 O4 -","1","0.5","","Long Pan; Xiaoying Huang; Hoa-Loan N. Phan; T. J. Emge; Jing Li; Xiaotai Wang","1-D Infinite Array of Metalloporphyrin Cages","Inorganic Chemistry","2004","43","","6878","6880","10.1021/ic049141i","","","0.71073","MoKα","","0.0936","0.0629","","","0.124","0.1348","","","","","","1.042","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311897","8.7782","0.0005","12.8637","0.0006","15.0745","0.0009","90","","94.322","0.004","90","","1697.37","0.16","198.2","","198.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 N O4 V -","- C12 H24 Cl2 N O4 V -","- C48 H96 Cl8 N4 O16 V4 -","4","1","","Trevor W. Hayton; Brian O. Patrick; Peter Legzdins","New Details Concerning the Reactions of Nitric Oxide with Vanadium Tetrachloride","Inorganic Chemistry","2004","43","","7227","7233","10.1021/ic0491534","","","0.7107","MoKα","","0.0606","0.036","","0.1076","","0.1076","","","1.379","","","1.379","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311898","9.057","0.0012","9.2441","0.0013","13.1457","0.0015","107.333","0.003","93.278","0.003","114.325","0.004","936.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Cl5 N V0.5 -","- C14 H24 Cl5 N V0.5 -","- C28 H48 Cl10 N2 V -","2","1","","Trevor W. Hayton; Brian O. Patrick; Peter Legzdins","New Details Concerning the Reactions of Nitric Oxide with Vanadium Tetrachloride","Inorganic Chemistry","2004","43","","7227","7233","10.1021/ic0491534","","","0.71073","MoKα","","0.0409","0.0363","","","0.1031","0.1055","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311899","8.2923","0.0012","11.872","0.0017","15.0289","0.0019","90","","90","","90","","1479.5","0.4","173","2","173","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C8 H12 Cl2 N5 O V -","- C8 H12 Cl2 N5 O V -","- C32 H48 Cl8 N20 O4 V4 -","4","0.5","","Trevor W. Hayton; Brian O. Patrick; Peter Legzdins","New Details Concerning the Reactions of Nitric Oxide with Vanadium Tetrachloride","Inorganic Chemistry","2004","43","","7227","7233","10.1021/ic0491534","","","0.71073","MoKα","","0.0454","0.0278","","","0.0565","0.06","","","","","","0.906","","","","has coordinates,has disorder","179157","2020-10-21","18:00:00",""
"4311900","13.771","0.005","13.441","0.003","9.545","0.002","90","","90","","90","","1766.7","0.8","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H10 Cl2 O3.5 V -","- C4 H10 Cl2 O3.5 V -","- C32 H80 Cl16 O28 V8 -","8","1","","Trevor W. Hayton; Brian O. Patrick; Peter Legzdins","New Details Concerning the Reactions of Nitric Oxide with Vanadium Tetrachloride","Inorganic Chemistry","2004","43","","7227","7233","10.1021/ic0491534","","","0.71073","MoKα","","0.0276","0.021","","","0.0491","0.0506","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311901","11.4745","0.0009","14.5719","0.0012","17.1003","0.0013","100.277","0.001","95.159","0.002","90.172","0.001","2801.5","0.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 N2 Si2 Sn -","- C24 H40 N2 Si2 Sn -","- C96 H160 N8 Si8 Sn4 -","4","2","","Yongjun Tang; Ana M. Felix; Lev N. Zakharov; Arnold L. Rheingold; Richard A. Kemp","Syntheses and Structural Characterization of a Monomeric Tin(II) Diamide and a Novel Chlorotin(II) Amide Trimer","Inorganic Chemistry","2004","43","","7239","7242","10.1021/ic049154w","","","0.71073","MoKα","","0.058","0.0458","","","0.1166","0.125","","","","","","1.021","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311902","17.3324","0.0011","13.6799","0.0009","19.6416","0.0012","90","","90.522","0.001","90","","4656.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Cl3 N3 Si3 Sn3 -","- C36 H60 Cl3 N3 Si3 Sn3 -","- C144 H240 Cl12 N12 Si12 Sn12 -","4","1","","Yongjun Tang; Ana M. Felix; Lev N. Zakharov; Arnold L. Rheingold; Richard A. Kemp","Syntheses and Structural Characterization of a Monomeric Tin(II) Diamide and a Novel Chlorotin(II) Amide Trimer","Inorganic Chemistry","2004","43","","7239","7242","10.1021/ic049154w","","","0.71073","MoKα","","0.0305","0.0252","","","0.0592","0.0614","","","","","","1.047","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311903","16.479","0.002","16.479","0.002","53.626","0.011","90","","90","","120","","12612","3","150","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","tris(isonicotinoyl)cyclotriguaiacylene","","","- C42 H33 N3 O9 -","- C42 H33 N3 O9 -","- C504 H396 N36 O108 -","12","0.333333","","Michaele J. Hardie; Christopher J. Sumby","Interwoven 2-D Coordination Network Prepared from the Molecular Host Tris(isonicotinoyl)cyclotriguaiacylene and Silver(I) Cobalt(III) Bis(dicarbollide)","Inorganic Chemistry","2004","43","","6872","6874","10.1021/ic049160s","","","0.71073","MoKα","","0.0952","0.0854","","","0.2365","0.2491","","","","","","1.131","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311904","12.254","0.003","15.449","0.003","33.084","0.007","92.35","0.03","92.62","0.03","112.93","0.03","5750","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","bis{tris(isonicotinoyl)cyclotriguaiacylene}silver(I) cobalt(III) bis(dicarbollide) acetonitrile clathrate","","","- C106 H115 Ag B18 Co N15 O18 -","- C106 H115 Ag B18 Co N15 O18 -","- C212 H230 Ag2 B36 Co2 N30 O36 -","2","1","","Michaele J. Hardie; Christopher J. Sumby","Interwoven 2-D Coordination Network Prepared from the Molecular Host Tris(isonicotinoyl)cyclotriguaiacylene and Silver(I) Cobalt(III) Bis(dicarbollide)","Inorganic Chemistry","2004","43","","6872","6874","10.1021/ic049160s","","","0.71073","MoKα","","0.118","0.0856","","","0.1963","0.2128","","","","","","1.134","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311905","13.6242","0.0007","4.1976","0.0002","31.498","0.002","90","","99.722","0.004","90","","1775.47","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cu4 I4 N2 -","- C10 H8 Cu4 I4 N2 -","- C40 H32 Cu16 I16 N8 -","4","1","","Guanghua Li; Zhan Shi; Xiaomin Liu; Zhimin Dai; Shouhua Feng","Low-Dimensional Hybrid Copper Halides with Novel D6R Cu6I6 Cores","Inorganic Chemistry","2004","43","","6884","6886","10.1021/ic049164x","","","0.71073","MoKα","","0.0851","0.0455","","","0.094","0.1073","","","","","","0.954","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311906","35.666","0.007","41.898","0.008","4.1881","0.0008","90","","90","","90","","6258","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H8 Cu3 I3 N2 -","- C10 H8 Cu3 I3 N2 -","- C160 H128 Cu48 I48 N32 -","16","1","","Guanghua Li; Zhan Shi; Xiaomin Liu; Zhimin Dai; Shouhua Feng","Low-Dimensional Hybrid Copper Halides with Novel D6R Cu6I6 Cores","Inorganic Chemistry","2004","43","","6884","6886","10.1021/ic049164x","","","0.71073","MoKα","","0.0466","0.0329","","","0.0714","0.0764","","","","","","0.953","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311907","16.765","0.003","8.822","0.0018","14.048","0.003","90","","120.64","0.03","90","","1787.6","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Aqua Lanthanum citrate","","- C6 H7 La O8 -","- C6 H7 La O8 -","- C48 H56 La8 O64 -","8","1","","Ricardo Baggio; Mireille Perec","Isolation and Characterization of a Polymeric Lanthanum Citrate","Inorganic Chemistry","2004","43","","6965","6968","10.1021/ic049165p","","","0.71073","MoKα","","0.0297","0.0182","","","0.043","0.0459","","","","","","0.981","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311908","9.6676","0.0005","11.0988","0.0005","11.5999","0.0006","70.135","0.001","75.46","0.001","70.887","0.001","1092.29","0.09","91","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H12 Mo3 N3 Ni O15 P2 -","- C13 H12 Mo3 N3 Ni O15 P2 -","- C26 H24 Mo6 N6 Ni2 O30 P4 -","2","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0269","0.0236","","","0.0563","0.058","","","","","","1.037","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311909","9.6137","0.0006","11.3905","0.0007","11.5527","0.0007","70.774","0.001","74.806","0.001","70.495","0.001","1109.4","0.12","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H12 Cu Mo3 N3 O15 P2 -","- C13 H12 Cu Mo3 N3 O15 P2 -","- C26 H24 Cu2 Mo6 N6 O30 P4 -","2","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0316","0.0278","","","0.0652","0.0671","","","","","","1.03","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311910","24.6741","0.0013","15.4148","0.0008","30.8125","0.0016","90","","90","","90","","11719.4","1.1","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H51 Mo5 N9 Ni2 O32.5 P2 -","- C38 H28 Mo5 N9 Ni2 O32.4 P2 -","- C304 H224 Mo40 N72 Ni16 O259.2 P16 -","8","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","","0.71073","MoKα","","0.0849","0.072","","","0.1078","0.1179","","","","","","1.117","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311911","8.704","0.0017","10.769","0.002","22.068","0.004","88.9","0.03","86.66","0.03","80.23","0.03","2035","0.7","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Mo5 N6 Ni2 O25 P2 -","- C27 H22 Mo5 N6 Ni2 O25 P2 -","- C54 H44 Mo10 N12 Ni4 O50 P4 -","2","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0898","0.0637","","","0.1278","0.1405","","","","","","1.247","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311912","16.1269","0.0007","36.9971","0.0015","25.3324","0.001","90","","96.716","0.001","90","","15010.8","1.1","92","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C108 H120.25 F4 Mo14 N24 Ni6 O78.25 P8 -","- C108 H88 F4 Mo14 N24 Ni6 O78.15 P8 -","- C432 H352 F16 Mo56 N96 Ni24 O312.6 P32 -","4","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0692","0.0549","","","0.1127","0.127","","","","","","1.028","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311913","16.2142","0.0006","16.8347","0.0006","23.799","0.0009","90","","104.605","0.001","90","","6286.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H53.3 Mo5 N12 Ni2 O27.65 P2 -","- C52 H40 Mo5 N12 Ni2 O27.65 P2 -","- C208 H160 Mo20 N48 Ni8 O110.6 P8 -","4","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0548","0.0396","","","0.0893","0.0987","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311914","12.4451","0.0006","12.9157","0.0007","13.4289","0.0007","96.827","0.001","99.047","0.001","92.302","0.001","2112.74","0.19","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32.5 Mo5 N6 Ni2 O25.5 P2 -","- C28 H32 Mo5 N6 Ni2 O25.25 P2 -","- C56 H64 Mo10 N12 Ni4 O50.5 P4 -","2","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0327","0.0304","","","0.0753","0.0764","","","","","","1.165","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311915","16.075","0.0012","17.3256","0.0013","23.2488","0.0017","90","","103.316","0.001","90","","6300.9","0.8","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H49.5 Mo5 N12 Ni2 O24.75 P2 -","- C53 H42 Mo5 N12 Ni2 O24.75 P2 -","- C212 H168 Mo20 N48 Ni8 O99 P8 -","4","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0686","0.0609","","","0.1244","0.1495","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311916","11.8055","0.0014","24.057","0.003","22.381","0.003","90","","99.901","0.002","90","","6261.6","1.4","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C49 H41 Mo7 N12 Ni2 O30.5 P2 -","- C49 H34 Mo7 N12 Ni2 O30.5 P2 -","- C196 H136 Mo28 N48 Ni8 O122 P8 -","4","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0766","0.0508","","","0.1001","0.1113","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311917","24.8493","0.0009","13.2818","0.0005","21.6657","0.0008","90","","90","","90","","7150.6","0.5","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H56.75 Mo6 N12 Ni2 O31.5 P2 -","- C60 H42 Mo6 N12 Ni2 O31.4 P2 -","- C240 H168 Mo24 N48 Ni8 O125.6 P8 -","4","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","x-ray","0.71073","MoKα","","0.0803","0.0647","","","0.1116","0.1217","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311918","22.8586","0.0011","15.5878","0.0007","17.6793","0.0009","90","","118.701","0.001","90","","5525.4","0.5","150","0.2","150","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H56 Bi3 Cl2 I11 N4 -","- C26 H56 Bi3 Cl2 I11 N4 -","- C104 H224 Bi12 Cl8 I44 N16 -","4","1","","Goforth, Andrea M.; Smith, Mark D.; Peterson, Jr, LeRoy; zur Loye, Hans-Conrad","Preparation and Characterization of Novel Inorganic-Organic Hybrid Materials Containing Rare, Mixed-Halide Anions of Bismuth(III)","Inorganic Chemistry","2004","43","22","7042","7049","10.1021/ic049212d","","","0.71073","MoKα","","0.0367","0.0328","","","0.0687","0.0696","","","","","","0.989","","","","has coordinates","133739","2020-10-21","18:00:00",""
"4311919","8.5346","0.0005","14.941","0.0009","17.9284","0.001","90","","90","","90","","2286.1","0.2","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Bi Br3.3 I1.7 N2 -","- C13 H28 Bi Br3.304 I1.696 N2 -","- C52 H112 Bi4 Br13.216 I6.784 N8 -","4","1","","Goforth, Andrea M.; Smith, Mark D.; Peterson, Jr, LeRoy; zur Loye, Hans-Conrad","Preparation and Characterization of Novel Inorganic-Organic Hybrid Materials Containing Rare, Mixed-Halide Anions of Bismuth(III)","Inorganic Chemistry","2004","43","22","7042","7049","10.1021/ic049212d","","","0.71073","MoKα","","0.0377","0.0328","","","0.0731","0.075","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4311920","8.5189","0.0005","14.8988","0.0009","17.9984","0.0011","90","","90","","90","","2284.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Bi Br4.01 I0.99 N2 -","- C13 H28 Bi Br4.01 I0.99 N2 -","- C52 H112 Bi4 Br16.04 I3.96 N8 -","4","1","","Goforth, Andrea M.; Smith, Mark D.; Peterson, Jr, LeRoy; zur Loye, Hans-Conrad","Preparation and Characterization of Novel Inorganic-Organic Hybrid Materials Containing Rare, Mixed-Halide Anions of Bismuth(III)","Inorganic Chemistry","2004","43","22","7042","7049","10.1021/ic049212d","","","0.71073","MoKα","","0.027","0.0248","","","0.0577","0.0587","","","","","","1.023","","","","has coordinates","133739","2020-10-21","18:00:00",""
"4311921","14.9471","0.0007","12.7622","0.0006","13.3381","0.0007","90","","116.103","0.001","90","","2284.84","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H56 Bi2 Cl6.17 I3.83 N4 -","- C26 H56 Bi2 Cl6.17 I3.83 N4 -","- C52 H112 Bi4 Cl12.34 I7.66 N8 -","2","0.5","","Goforth, Andrea M.; Smith, Mark D.; Peterson, Jr, LeRoy; zur Loye, Hans-Conrad","Preparation and Characterization of Novel Inorganic-Organic Hybrid Materials Containing Rare, Mixed-Halide Anions of Bismuth(III)","Inorganic Chemistry","2004","43","22","7042","7049","10.1021/ic049212d","","","0.71073","MoKα","","0.0621","0.0421","","","0.1008","0.1094","","","","","","1.023","","","","has coordinates","133739","2020-10-21","18:00:00",""
"4311922","8.7494","0.0008","9.4132","0.0008","10.2955","0.0009","105.3","0.001","101.326","0.002","107.627","0.001","743.44","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Co0.5 N5 O5 -","- C12 H16 Co0.5 N5 O5 -","- C24 H32 Co N10 O10 -","2","1","","Bao-Hui Ye; Bing-Bing Ding; Yan-Qin Weng; Xiao-Ming Chen","Formation of One-Dimensional Metal-Water Chain Containing Cyclic Water Hexamers","Inorganic Chemistry","2004","43","","6866","6868","10.1021/ic049232f","","","0.71073","MoKα","","0.0321","0.0306","","","0.0855","0.0871","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311923","8.757","0.004","9.427","0.004","10.313","0.005","104.909","0.008","101.03","0.007","107.872","0.007","748.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N5 O5 Zn0.5 -","- C12 H16 N5 O5 Zn0.5 -","- C24 H32 N10 O10 Zn -","2","1","","Bao-Hui Ye; Bing-Bing Ding; Yan-Qin Weng; Xiao-Ming Chen","Formation of One-Dimensional Metal-Water Chain Containing Cyclic Water Hexamers","Inorganic Chemistry","2004","43","","6866","6868","10.1021/ic049232f","","","0.71073","MoKα","","0.036","0.0333","","","0.0849","0.0865","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311924","18.708","0.005","13.535","0.005","19.687","0.005","90","","95.71","0.005","90","","4960","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl0 N3 O2 Pd -","- C26 H33 N3 O2 Pd -","- C208 H264 N24 O16 Pd8 -","8","2","","Jean-Philippe Taquet; Olivier Siri; Pierre Braunstein; Richard Welter","Stepwise Synthesis, Structures, and Reactivity of Mono-, Di-, and Trimetallic Metal Complexes with a 6π + 6π Quinonoid Zwitterion","Inorganic Chemistry","2004","43","","6944","6953","10.1021/ic049263a","","","0.71069","MoKα","","0.1207","0.064","","","0.1122","0.1434","","","","","","1.106","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311925","12.859","0.001","10.529","0.001","24.102","0.002","90","","90","","90","","3263.2","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Cl N2 O2 P Pd -","- C34 H40 Cl N2 O2 P Pd -","- C136 H160 Cl4 N8 O8 P4 Pd4 -","4","1","","Jean-Philippe Taquet; Olivier Siri; Pierre Braunstein; Richard Welter","Stepwise Synthesis, Structures, and Reactivity of Mono-, Di-, and Trimetallic Metal Complexes with a 6π + 6π Quinonoid Zwitterion","Inorganic Chemistry","2004","43","","6944","6953","10.1021/ic049263a","","","0.71069","MoKα","","0.0775","0.0476","","","0.0872","0.1136","","","","","","1.047","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311926","15.612","0.002","12.394","0.002","22.147","0.002","90","","107.84","0.05","90","","4079.3","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 N4 O4 Pd2 -","- C44 H56 N4 O4 Pd2 -","- C176 H224 N16 O16 Pd8 -","4","0.5","","Jean-Philippe Taquet; Olivier Siri; Pierre Braunstein; Richard Welter","Stepwise Synthesis, Structures, and Reactivity of Mono-, Di-, and Trimetallic Metal Complexes with a 6π + 6π Quinonoid Zwitterion","Inorganic Chemistry","2004","43","","6944","6953","10.1021/ic049263a","","","0.71073","MoKα","","0.0786","0.0456","","","0.1101","0.1384","","","","","","1.084","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311927","11.213","0.002","19.493","0.004","20.205","0.004","90","","90.52","0.03","90","","4416.1","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 B2 Cl2 F8 N4 Rh2 -","- C45 H52 B2 Cl2 F8 N4 Rh2 -","- C180 H208 B8 Cl8 F32 N16 Rh8 -","4","1","","Reto Dorta; Romano Dorta; Linda J. W. Shimon; David Milstein","New Ligand Systems Incorporating Two and Three 4,4'-Bipyridine Units. Characterization of Bi- and Trimetallic Rhodium and Iridium Complexes","Inorganic Chemistry","2004","43","","7180","7186","10.1021/ic049285x","","","0.71073","MoKα","","0.0691","0.0506","","","0.1291","0.1424","","","","","","1.006","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311928","37.115","0.007","8.313","0.002","31.477","0.006","90","","120.64","0.03","90","","8356","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 B2 F8 N4 Rh2 -","- C46 H46 B2 F8 N4 Rh2 -","- C368 H368 B16 F64 N32 Rh16 -","8","1","","Reto Dorta; Romano Dorta; Linda J. W. Shimon; David Milstein","New Ligand Systems Incorporating Two and Three 4,4'-Bipyridine Units. Characterization of Bi- and Trimetallic Rhodium and Iridium Complexes","Inorganic Chemistry","2004","43","","7180","7186","10.1021/ic049285x","","","0.71073","MoKα","","0.0311","0.0255","","","0.063","0.0658","","","","","","1.031","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311929","12.237","0.002","16.728","0.003","25.783","0.005","90","","98.96","0.03","90","","5213.4","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H53 B2 F8 N5 O2 Rh2 -","- C60 H53 B2 F8 N5 O2 Rh2 -","- C240 H212 B8 F32 N20 O8 Rh8 -","4","1","","Reto Dorta; Romano Dorta; Linda J. W. Shimon; David Milstein","New Ligand Systems Incorporating Two and Three 4,4'-Bipyridine Units. Characterization of Bi- and Trimetallic Rhodium and Iridium Complexes","Inorganic Chemistry","2004","43","","7180","7186","10.1021/ic049285x","","","0.71073","MoKα","","0.0664","0.0489","","","0.1141","0.1235","","","","","","1.02","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311930","10.4044","0.0007","10.5516","0.0007","14.9791","0.001","90.943","0.001","102.284","0.001","104.343","0.001","1552.56","0.18","170","2","170","2","","","","","","","","5","P -1","-P 1","2","2-(Diphenylmethyl)-4,6-tert-butylphenoxytitanatrane","","","- C33 H43 N O4 Ti -","- C33 H43 N O4 Ti -","- C66 H86 N2 O8 Ti2 -","2","1","","Aaron G. Maestri; Seth N. Brown","Titanatranes Derailed: Static and Dynamic Triethanolamine Slippage Induced by Polyphenoxide Chelation","Inorganic Chemistry","2004","43","","6995","7004","10.1021/ic0492901","","","0.71073","MoKα","","0.0652","0.05","","0.139","0.127","","","","0.984","1.034","1.034","","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311931","10.9755","0.0011","11.3514","0.0011","16.73","0.002","80.299","0.002","74.07","0.002","79.102","0.002","1953.1","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","2-(α-(2-hydroxy-3,5-di-tert-butylphenyl)benzyl)- 4,6-di-tert-butylphenoxytitanatrane","","","- C41 H59 N O5 Ti -","- C41 H59 N O5 Ti -","- C82 H118 N2 O10 Ti2 -","2","1","","Aaron G. Maestri; Seth N. Brown","Titanatranes Derailed: Static and Dynamic Triethanolamine Slippage Induced by Polyphenoxide Chelation","Inorganic Chemistry","2004","43","","6995","7004","10.1021/ic0492901","","","0.71073","MoKα","","0.0715","0.0605","","0.1835","0.1702","","","","0.998","1.024","1.024","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4311932","27.581","0.002","30.981","0.002","28.825","0.002","90","","95.741","0.001","90","","24507","3","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","Bis(nitrilotriethoxy)-benzylidenedi-3,5-di-tert-butyl-2-phenoxy)dititanium(IV) tetramer dipentane octasesqui(dichloromethane) solvate","","","- C206.5 H321 Cl17 N8 O32 Ti8 -","- C206.5 H321 Cl17 N8 O32 Ti8 -","- C826 H1284 Cl68 N32 O128 Ti32 -","4","0.5","","Aaron G. Maestri; Seth N. Brown","Titanatranes Derailed: Static and Dynamic Triethanolamine Slippage Induced by Polyphenoxide Chelation","Inorganic Chemistry","2004","43","","6995","7004","10.1021/ic0492901","","","0.71073","MoKα","","0.1171","0.0759","","0.2639","0.233","","","","1","1.135","1.135","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311933","12.2337","0.0006","6.9982","0.0004","14.5637","0.001","90","","90","","90","","1246.85","0.13","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Br3 H17 N6 O2 Ru -","- Br3 H14 N6 O2 Ru -","- Br12 H56 N24 O8 Ru4 -","4","0.5","","Florian Paulat; Torben Kuschel; Christian Näther; V. K. K. Praneeth; Ole Sander; Nicolai Lehnert","Spectroscopic Properties and Electronic Structure of Pentammineruthenium(II) Dinitrogen Oxide and Corresponding Nitrosyl Complexes: Binding Mode of N2O and Reactivity","Inorganic Chemistry","2004","43","","6979","6994","10.1021/ic049302i","","","0.71073","MoKα","","0.0548","0.0292","","","0.0757","0.0842","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311934","11.6307","0.0007","14.659","0.001","14.613","0.001","90","","90.763","0.005","90","","2491.2","0.3","296","2","296","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Co Fe N9 O2 S2 -","- C17 H29 Co Fe N9 O2 S2 -","- C68 H116 Co4 Fe4 N36 O8 S8 -","4","1","","Paul V. Bernhardt; Fernando Bozoglian; Brendan P. Macpherson; Manuel Martínez; André E. Merbach; Gabriel González; Beatriz Sienra","Oxidation of Mixed-Valence CoIII/FeII Complexes Reversed at High pH: A Kinetico-Mechanistic Study of Water Oxidation","Inorganic Chemistry","2004","43","","7187","7195","10.1021/ic0493191","","x-ray","0.71073","MoKα","","0.0524","0.0335","","","0.0889","0.0982","","","","","","0.991","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311935","7.7771","0.0012","8.1565","0.0013","8.9099","0.0014","74.492","0.002","73.952","0.002","76.299","0.002","515.22","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Cl2 Cu N4 O10 -","- C16 H20 Cl2 Cu N4 O10 -","- C16 H20 Cl2 Cu N4 O10 -","1","0.5","","Arunendu Mondal; Yang Li; Masood A. Khan; Joseph H. Ross,; Robert P. Houser","Supramolecular Copper Hydroxide Tennis Balls: Self-Assembly, Structures, and Magnetic Properties of Octanuclear [Cu8L8(OH)4]4+ Clusters (HL =N-(2-Pyridylmethyl)acetamide)","Inorganic Chemistry","2004","43","","7075","7082","10.1021/ic0493292","","","0.71073","MoKα","","0.0265","0.0255","","","0.0675","0.068","","","","","","1.068","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311936","15.385","0.006","16.236","0.006","23.227","0.009","71.041","0.006","75.739","0.006","63.633","0.006","4881","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H94 Cl4 Cu8 N22 O28 -","- C76 H94 Cl4 Cu8 N22 O28 -","- C152 H188 Cl8 Cu16 N44 O56 -","2","1","","Arunendu Mondal; Yang Li; Masood A. Khan; Joseph H. Ross,; Robert P. Houser","Supramolecular Copper Hydroxide Tennis Balls: Self-Assembly, Structures, and Magnetic Properties of Octanuclear [Cu8L8(OH)4]4+ Clusters (HL =N-(2-Pyridylmethyl)acetamide)","Inorganic Chemistry","2004","43","","7075","7082","10.1021/ic0493292","","","0.71073","MoKα","","0.0764","0.0479","","","0.1142","0.129","","","","","","0.947","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311937","15.1881","0.0009","15.1881","0.0009","38.671","0.005","90","","90","","90","","8920.6","1.4","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C72 H82 Cu8 F12 N18 O24 S4 -","- C72 H82 Cu8 F12 N18 O24 S4 -","- C288 H328 Cu32 F48 N72 O96 S16 -","4","1","","Arunendu Mondal; Yang Li; Masood A. Khan; Joseph H. Ross,; Robert P. Houser","Supramolecular Copper Hydroxide Tennis Balls: Self-Assembly, Structures, and Magnetic Properties of Octanuclear [Cu8L8(OH)4]4+ Clusters (HL =N-(2-Pyridylmethyl)acetamide)","Inorganic Chemistry","2004","43","","7075","7082","10.1021/ic0493292","","","0.71073","MoKα","","0.0194","0.019","","","0.0499","0.05","","","","","","1.046","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311938","11.2585","0.0014","35.284","0.004","11.9514","0.0015","90","","91.191","0.002","90","","4746.6","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl3 Fe2 N11 O14 -","- C36 H52 Cl3 Fe2 N11 O14 -","- C144 H208 Cl12 Fe8 N44 O56 -","4","1","","Sonia Taktak; Sergey V. Kryatov; Elena V. Rybak-Akimova","Reactivity of a (μ-Oxo)(μ-hydroxo)diiron(III) Diamond Core with Water, Urea, Substituted Ureas, and Acetamide","Inorganic Chemistry","2004","43","","7196","7209","10.1021/ic049371x","","","0.71073","MoKα","","0.1485","0.0839","","","0.2062","0.2352","","","","","","1.091","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311939","21.4327","0.0012","25.3791","0.0014","15.8574","0.0008","90","","110.476","0.001","90","","8080.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 Cl3 Fe2 N8 O14 -","- C32 H45 Cl3 Fe2 N8 O14 -","- C256 H360 Cl24 Fe16 N64 O112 -","8","2","","Sonia Taktak; Sergey V. Kryatov; Elena V. Rybak-Akimova","Reactivity of a (μ-Oxo)(μ-hydroxo)diiron(III) Diamond Core with Water, Urea, Substituted Ureas, and Acetamide","Inorganic Chemistry","2004","43","","7196","7209","10.1021/ic049371x","","","0.71073","MoKα","","0.1762","0.0722","","","0.1851","0.2189","","","","","","0.969","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311940","10.145","0.004","24.028","0.01","10.798","0.004","90","","98.049","0.008","90","","2606.2","1.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 Cl2 Fe N6 O10 -","- C19 H31 Cl2 Fe N6 O10 -","- C76 H124 Cl8 Fe4 N24 O40 -","4","1","","Sonia Taktak; Sergey V. Kryatov; Elena V. Rybak-Akimova","Reactivity of a (μ-Oxo)(μ-hydroxo)diiron(III) Diamond Core with Water, Urea, Substituted Ureas, and Acetamide","Inorganic Chemistry","2004","43","","7196","7209","10.1021/ic049371x","","","0.71073","MoKα","","0.0593","0.0489","","","0.14","0.1753","","","","","","1.163","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311941","12.952","0.0011","16.2382","0.0015","20.5194","0.0019","90","","90","","90","","4315.6","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl3 Fe2 N10 O15 -","- C33 H49 Cl3 Fe2 N10 O15 -","- C132 H196 Cl12 Fe8 N40 O60 -","4","1","","Sonia Taktak; Sergey V. Kryatov; Elena V. Rybak-Akimova","Reactivity of a (μ-Oxo)(μ-hydroxo)diiron(III) Diamond Core with Water, Urea, Substituted Ureas, and Acetamide","Inorganic Chemistry","2004","43","","7196","7209","10.1021/ic049371x","","","0.71073","MoKα","","0.2101","0.0878","","","0.2","0.2399","","","","","","0.936","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311942","13.2844","0.0011","21.8735","0.0016","27.1159","0.0018","90","","96.923","0.003","90","","7821.8","1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H38 Au4 F30 Fe P2 Se2 -","- C82 H38 Au4 F30 Fe P2 Se2 -","- C328 H152 Au16 F120 Fe4 P8 Se8 -","4","1","","Silvia Canales; Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna","Selenolate Gold Complexes with Aurophilic Au(I)-Au(I) and Au(I)-Au(III) Interactions","Inorganic Chemistry","2004","43","","7234","7238","10.1021/ic0493806","","","0.71073","MoKα","","0.0497","0.0269","","","0.0468","0.0503","","","","","","0.9","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311943","12.16","0.001","13.051","0.001","13.235","0.001","110.745","0.001","109.683","0.001","97.014","0.001","1778.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H46 Cl2 Cu4 N4 O18 -","- C18 H40 Cl2 Cu4 N4 O18 -","- C36 H80 Cl4 Cu8 N8 O36 -","2","1","","M. Salah El Fallah; Albert Escuer; Ramon Vicente; Fatima Badyine; Xavier Solans; Merce Font-Bardia","Syntheses and Magneto-Structural Study of Several Polynuclear Copper(II) Complexes Derived from 1,3-Bis(dimethylamino)-2-propanolato","Inorganic Chemistry","2004","43","","7218","7226","10.1021/ic049408d","","","0.71069","MoKα","","0.0839","0.0617","","","0.1969","0.2164","","","","","","1.141","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311944","26.609","0.001","14.496","0.001","16.652","0.001","90","0.001","97.814","0.001","90","0.001","6363.4","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H88 Cl2 Cu8 N14 O27 -","- C34 H66 Cl2 Cu8 N14 O27 -","- C136 H264 Cl8 Cu32 N56 O108 -","4","0.5","","M. Salah El Fallah; Albert Escuer; Ramon Vicente; Fatima Badyine; Xavier Solans; Merce Font-Bardia","Syntheses and Magneto-Structural Study of Several Polynuclear Copper(II) Complexes Derived from 1,3-Bis(dimethylamino)-2-propanolato","Inorganic Chemistry","2004","43","","7218","7226","10.1021/ic049408d","","","0.71069","MoKα","","0.0633","0.0417","","","0.1222","0.1355","","","","","","1.039","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311945","24.104","0.001","13.542","0.001","24.355","0.001","90","","109.98","","90","","7471.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H88 Cl2 Cu9 N16 O32 -","- C36 H68 Cl2 Cu9 N16 O34 -","- C144 H272 Cl8 Cu36 N64 O136 -","4","0.5","","M. Salah El Fallah; Albert Escuer; Ramon Vicente; Fatima Badyine; Xavier Solans; Merce Font-Bardia","Syntheses and Magneto-Structural Study of Several Polynuclear Copper(II) Complexes Derived from 1,3-Bis(dimethylamino)-2-propanolato","Inorganic Chemistry","2004","43","","7218","7226","10.1021/ic049408d","","","0.71069","MoKα","","0.0996","0.0466","","","0.1334","0.1506","","","","","","1.005","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311946","10.619","0.002","8.691","0.002","22.667","0.005","90","","103","0.03","90","","2038.3","0.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Indazolium trans-tetrachlorodimethylsulfoxide(indazole)ruthenate(III)","","- C16 H19 Cl4 N4 O Ru S -","- C16 H19 Cl4 N4 O Ru S -","- C64 H76 Cl16 N16 O4 Ru4 S4 -","4","1","","Erwin Reisner; Vladimir B. Arion; M. Fátima C. Guedes da Silva; Roman Lichtenecker; Anna Eichinger; Bernhard K. Keppler; Vadim Yu. Kukushkin; Armando J.L. Pombeiro","Tuning of Redox Potentials for the Design of Ruthenium Anticancer Drugs - an Electrochemical Study of [trans-RuCl4L(DMSO)]- and [trans-RuCl4L2]- Complexes, where L = Imidazole, 1,2,4-Triazole, Indazole","Inorganic Chemistry","2004","43","","7083","7093","10.1021/ic049479c","","","0.71073","MoKα","","0.0426","0.0296","","","0.0659","0.0709","","","","","","1.026","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311947","9.599","0.002","12.68","0.003","14.476","0.003","112.15","0.03","109.16","0.03","90.9","0.03","1521.8","0.8","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","Benzyltriphenylphosphonium trans-tetrachlorodimethyl- sulfoxidetriazoleruthenate(III)","","- C29 H31 Cl4 N3 O P Ru S -","- C29 H31 Cl4 N3 O P Ru S -","- C58 H62 Cl8 N6 O2 P2 Ru2 S2 -","2","1","","Erwin Reisner; Vladimir B. Arion; M. Fátima C. Guedes da Silva; Roman Lichtenecker; Anna Eichinger; Bernhard K. Keppler; Vadim Yu. Kukushkin; Armando J.L. Pombeiro","Tuning of Redox Potentials for the Design of Ruthenium Anticancer Drugs - an Electrochemical Study of [trans-RuCl4L(DMSO)]- and [trans-RuCl4L2]- Complexes, where L = Imidazole, 1,2,4-Triazole, Indazole","Inorganic Chemistry","2004","43","","7083","7093","10.1021/ic049479c","","","0.71073","MoKα","","0.0355","0.0304","","","0.0754","0.078","","","","","","1.068","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311948","17.029","0.003","16.428","0.003","14.653","0.003","90","","103.32","0.03","90","","3988.9","1.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis(triphenylphosphoranylidene)ammonium trans-tetrachloro- dimethylsulfoxidetriazoleruthenate(III)","","- C40 H39 Cl4 N4 O P2 Ru S -","- C40 H39 Cl4 N4 O P2 Ru S -","- C160 H156 Cl16 N16 O4 P8 Ru4 S4 -","4","1","","Erwin Reisner; Vladimir B. Arion; M. Fátima C. Guedes da Silva; Roman Lichtenecker; Anna Eichinger; Bernhard K. Keppler; Vadim Yu. Kukushkin; Armando J.L. Pombeiro","Tuning of Redox Potentials for the Design of Ruthenium Anticancer Drugs - an Electrochemical Study of [trans-RuCl4L(DMSO)]- and [trans-RuCl4L2]- Complexes, where L = Imidazole, 1,2,4-Triazole, Indazole","Inorganic Chemistry","2004","43","","7083","7093","10.1021/ic049479c","","","0.71073","MoKα","","0.0331","0.0261","","","0.0671","0.0705","","","","","","1.017","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311949","6.602","0.001","9.962","0.002","11.671","0.002","92.78","0.03","102.57","0.03","104.75","0.03","720.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Indazolindazolium trans-tetrachloro(indazole)ruthenate(III)","","- C14 H12.5 Cl2 N4 Ru0.5 -","- C14 H12.5 Cl2 N4 Ru0.5 -","- C28 H25 Cl4 N8 Ru -","2","1","","Erwin Reisner; Vladimir B. Arion; M. Fátima C. Guedes da Silva; Roman Lichtenecker; Anna Eichinger; Bernhard K. Keppler; Vadim Yu. Kukushkin; Armando J.L. Pombeiro","Tuning of Redox Potentials for the Design of Ruthenium Anticancer Drugs - an Electrochemical Study of [trans-RuCl4L(DMSO)]- and [trans-RuCl4L2]- Complexes, where L = Imidazole, 1,2,4-Triazole, Indazole","Inorganic Chemistry","2004","43","","7083","7093","10.1021/ic049479c","","","0.71073","MoKα","","0.0501","0.0355","","","0.0752","0.0817","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311950","18.2725","0.0012","18.1471","0.0012","19.0418","0.0012","90","","101.538","0.001","90","","6186.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H66 B2 N10 Ru -","- C74 H66 B2 N10 Ru -","- C296 H264 B8 N40 Ru4 -","4","1","","Seung Uk Son; Kang Hyun Park; Young-Shin Lee; Bo Yun Kim; Cheol Ho Choi; Myoung Soo Lah; Yun Hee Jang; Du-Jeon Jang; Young Keun Chung","Synthesis of Ru(II) Complexes of N-Heterocyclic Carbenes and Their Promising Photoluminescence Properties in Water","Inorganic Chemistry","2004","43","","6896","6898","10.1021/ic049514f","","","0.71073","MoKα","","0.0532","0.035","","","0.085","0.0969","","","","","","1.02","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311951","11.5267","0.0002","14.1193","0.0004","12.0357","0.0003","90","","103.626","0.001","90","","1903.67","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,7,10,13,16-hexaazoniacyclooctadecane-hexakis-dihydrogenphosphato -di-phosphoric acid","","- C12 H54 N6 O32 P8 -","- C12 H54 N6 O32 P8 -","- C24 H108 N12 O64 P16 -","2","0.5","","Andrew C. Warden; Mark Warren; Milton T. W. Hearn; Leone Spiccia","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Effect of the Degree of Protonation on Supramolecular Assemblies Formed by Phosphate and [18]aneN6","Inorganic Chemistry","2004","43","","6936","6943","10.1021/ic049633v","","","0.71073","MoKα","","0.0814","0.0431","","","0.0921","0.1036","","","","","","0.966","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311952","8.4826","0.0001","8.8353","0.0002","11.9115","0.0003","105.894","0.001","105.484","0.001","97.444","0.001","807.41","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1,4,7,10,13,16-hexaazoniacyclooctadecane-hexa-dihydrogen phosphate","","- C12 H48 N6 O24 P6 -","- C12 H48 N6 O24 P6 -","- C12 H48 N6 O24 P6 -","1","0.5","","Andrew C. Warden; Mark Warren; Milton T. W. Hearn; Leone Spiccia","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Effect of the Degree of Protonation on Supramolecular Assemblies Formed by Phosphate and [18]aneN6","Inorganic Chemistry","2004","43","","6936","6943","10.1021/ic049633v","","","0.71073","MoKα","","0.0617","0.0421","","","0.0954","0.1041","","","","","","1.03","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311953","8.5026","0.0002","13.4929","0.0004","11.5923","0.0003","90","","97.592","0.001","90","","1318.27","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,10,13-tetraazonia-7,16-diazacyclooctadecane-tetra-dihydrogenphosphate","","- C12 H42 N6 O16 P4 -","- C12 H42 N6 O16 P4 -","- C24 H84 N12 O32 P8 -","2","0.5","","Andrew C. Warden; Mark Warren; Milton T. W. Hearn; Leone Spiccia","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Effect of the Degree of Protonation on Supramolecular Assemblies Formed by Phosphate and [18]aneN6","Inorganic Chemistry","2004","43","","6936","6943","10.1021/ic049633v","","","0.71073","MoKα","","0.074","0.0411","","","0.0806","0.0888","","","","","","1.006","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311954","8.7901","0.0003","16.1913","0.0005","10.2531","0.0004","90","","98.324","0.002","90","","1443.88","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,10,13-tetraazonia-7,16-diazacyclooctadecane-tetrakis- dihydrogenphosphato-dihydrate","","- C12 H46 N6 O18 P4 -","- C12 H46 N6 O18 P4 -","- C24 H92 N12 O36 P8 -","2","0.5","","Andrew C. Warden; Mark Warren; Milton T. W. Hearn; Leone Spiccia","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Effect of the Degree of Protonation on Supramolecular Assemblies Formed by Phosphate and [18]aneN6","Inorganic Chemistry","2004","43","","6936","6943","10.1021/ic049633v","","","0.71073","MoKα","","0.1011","0.0458","","","0.0873","0.1014","","","","","","0.932","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311955","9.4687","0.0001","10.3232","0.0002","14.1338","0.0003","91.481","0.001","90.298","0.001","106.597","0.001","1323.43","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1,4,10,13-tetraazonia-7,16-diazacyclooctadecane-bis-monohydrogenphosphato- heptahydrate","","- C24 H100 N12 O30 P4 -","- C24 H100 N12 O30 P4 -","- C24 H100 N12 O30 P4 -","1","0.5","","Andrew C. Warden; Mark Warren; Milton T. W. Hearn; Leone Spiccia","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Effect of the Degree of Protonation on Supramolecular Assemblies Formed by Phosphate and [18]aneN6","Inorganic Chemistry","2004","43","","6936","6943","10.1021/ic049633v","","","0.71073","MoKα","","0.0539","0.0384","","","0.0912","0.099","","","","","","1.032","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311956","14.125","0.003","14.833","0.003","15.718","0.003","63.54","0.008","68.387","0.008","76.382","0.009","2730.8","1","173.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H49 Cl4 F6 N6 O P Pt -","- C54 H49 Cl4 F6 N6 O P Pt -","- C108 H98 Cl8 F12 N12 O2 P2 Pt2 -","2","1","","Rei Okamura; Tohru Wada; Katsuji Aikawa; Toshi Nagata; Koji Tanaka","A Platinum-Ruthenium Dinuclear Complex Bridged by Bis(terpyridyl)xanthene","Inorganic Chemistry","2004","43","","7210","7217","10.1021/ic049680n","","","0.7107","MoKα","","","0.0631","","","","0.1858","","","","","","2.328","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311957","13.841","0.007","14.377","0.007","19.442","0.01","95.226","0.007","100.167","0.005","110.974","0.007","3505","3","173.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H66 Cl2 F12 N12 O P2 Pt2 -","- C65 H66 Cl2 F12 N12 O P2 Pt2 -","- C130 H132 Cl4 F24 N24 O2 P4 Pt4 -","2","1","","Rei Okamura; Tohru Wada; Katsuji Aikawa; Toshi Nagata; Koji Tanaka","A Platinum-Ruthenium Dinuclear Complex Bridged by Bis(terpyridyl)xanthene","Inorganic Chemistry","2004","43","","7210","7217","10.1021/ic049680n","","","0.7107","MoKα","","","0.0649","","","","0.1553","","","","","","1.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311958","8.972","0.004","12.609","0.005","15.791","0.006","70.94","0.01","73.23","0.01","82.1","0.02","1614.8","1.1","173.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H37 F6 N3 O3 P Ru S -","- C31 H37 F6 N3 O3 P Ru S -","- C62 H74 F12 N6 O6 P2 Ru2 S2 -","2","1","","Rei Okamura; Tohru Wada; Katsuji Aikawa; Toshi Nagata; Koji Tanaka","A Platinum-Ruthenium Dinuclear Complex Bridged by Bis(terpyridyl)xanthene","Inorganic Chemistry","2004","43","","7210","7217","10.1021/ic049680n","","","0.7107","MoKα","","","0.0702","","","","0.1384","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311959","8.459","0.004","21.184","0.004","23.314","0.014","90","","99.03","0.05","90","","4126","3","571","2","571","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[ReO(OMe)(tetramethylimidazolydene)4][PF6]2","Methoxytetrakis(1,3,4,5-tetramethylimidazol-2-ylidene)oxorhenium bis(hexafluorophosphate)","","- C29 H51 F12 N8 O2 P2 Re -","- C29 H51 F12 N8 O2 P2 Re -","- C116 H204 F48 N32 O8 P8 Re4 -","4","1","","Theresa I. Kückmann; Ulrich Abram","Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes","Inorganic Chemistry","2004","43","","7068","7074","10.1021/ic0497578","","","0.71073","MoKα","","0.1988","0.0649","","","0.1074","0.145","","","","","","0.902","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311960","17.098","0.002","17.098","0.002","9.673","0.002","90","","90","","90","","2827.8","0.7","193","2","193","2","","","","","","","","9","I 4","I 4","79","","Chlorotetrakis(3,4-dimethyl-2,5-diethylimidazolylidene)oxorhenium(V)- bis(hexafluorophosphate) x 2 KPF6","","- C36 H64 Cl F24 K2 N8 O P4 Re -","- C36 H64 Cl F24 K2 N8 O P4 Re -","- C72 H128 Cl2 F48 K4 N16 O2 P8 Re2 -","2","0.25","","Theresa I. Kückmann; Ulrich Abram","Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes","Inorganic Chemistry","2004","43","","7068","7074","10.1021/ic0497578","","","0.71073","MoKα","","0.0629","0.0491","","","0.0978","0.1053","","","","","","0.977","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311961","10.309","0.002","20.142","0.003","18.763","0.003","90","","95.63","0.02","90","","3877.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 F3.3 N8 O5.8 P0.55 Re1.45 -","- C28 H48 F3.3 N8 O5.8 P0.55 Re1.45 -","- C112 H192 F13.2 N32 O23.2 P2.2 Re5.8 -","4","1","","Theresa I. Kückmann; Ulrich Abram","Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes","Inorganic Chemistry","2004","43","","7068","7074","10.1021/ic0497578","","","0.71073","MoKα","","0.1058","0.055","","","0.1417","0.177","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311962","12.311","0.005","16.525","0.005","16.743","0.005","100.403","0.005","97.834","0.005","106.272","0.005","3152.4","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","ReO2Carben","Tetrakis(1,3-diisopropyl-4,5-dimethylimidazole-2-yliden)dioxorheniumperrhenat x 1.5 THF","","- C50 H92 N8 O7.5 Re2 -","- C50 H92 N8 O7.5 Re2 -","- C100 H184 N16 O15 Re4 -","2","1","","Theresa I. Kückmann; Ulrich Abram","Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes","Inorganic Chemistry","2004","43","","7068","7074","10.1021/ic0497578","","","0.71069","MoKα","","0.0483","0.037","","","0.1117","0.1187","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311963","12.425","0.003","12.914","0.004","16.605","0.005","103.84","0.01","104.02","0.01","93.62","0.01","2489.1","1.2","153","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)dioxorhenium(V) hexafluorophosphate","","- C44 H80 F6 N8 O2 P Re -","- C44 H80 F6 N8 O2 P Re -","- C88 H160 F12 N16 O4 P2 Re2 -","2","1","","Theresa I. Kückmann; Ulrich Abram","Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes","Inorganic Chemistry","2004","43","","7068","7074","10.1021/ic0497578","","","0.71073","MoKα","","0.0529","0.045","","","0.1262","0.1325","","","","","","1.03","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311964","16.209","0.003","6.788","0.003","20.634","0.003","90","","111.8","0.02","90","","2107.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-methyl-1-alphaketoglutaric acid thiosemicarbazone","","- C14 H24 N6 O9 S2 -","- C14 H18 N6 O9 S2 -","- C56 H72 N24 O36 S8 -","4","1","","Monica Baldini; Marisa Belicchi-Ferrari; Franco Bisceglie; Pier Paolo Dall'Aglio; Giorgio Pelosi; Silvana Pinelli; Pieralberto Tarasconi","Copper(II) Complexes with Substituted Thiosemicarbazones of α-Ketoglutaric Acid: Synthesis, X-ray Structures, DNA Binding Studies, and Nuclease and Biological Activity","Inorganic Chemistry","2004","43","","7170","7179","10.1021/ic049883b","","","1.54184","CuKα","","0.0628","0.0587","","","0.1579","0.1629","","","","","","1.126","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311965","13.227","0.003","5.269","0.001","18.927","0.003","90","0","91.86","0.02","90","0","1318.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-allyl-1-alphaketoglutaric acid thiosemicarbazone","","- C9 H13 N3 O4 S -","- C9 H10 N3 O4 S -","- C36 H40 N12 O16 S4 -","4","1","","Monica Baldini; Marisa Belicchi-Ferrari; Franco Bisceglie; Pier Paolo Dall'Aglio; Giorgio Pelosi; Silvana Pinelli; Pieralberto Tarasconi","Copper(II) Complexes with Substituted Thiosemicarbazones of α-Ketoglutaric Acid: Synthesis, X-ray Structures, DNA Binding Studies, and Nuclease and Biological Activity","Inorganic Chemistry","2004","43","","7170","7179","10.1021/ic049883b","","","0.71069","MoKα","","0.2096","0.0442","","","0.0991","0.1412","","","","","","0.749","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311966","8.993","0.002","9.749","0.003","8.919","0.003","111","0.02","118.68","0.02","71.49","0.02","630.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-[1-(mu!2$alphaketoglutarato-O,O')-4-methylthiosemicarbazoneaqua] copper(II) dihydrate","","- C7 H15 Cu N3 O7 S -","- C7 H11 Cu N3 O7 S -","- C14 H22 Cu2 N6 O14 S2 -","2","1","","Monica Baldini; Marisa Belicchi-Ferrari; Franco Bisceglie; Pier Paolo Dall'Aglio; Giorgio Pelosi; Silvana Pinelli; Pieralberto Tarasconi","Copper(II) Complexes with Substituted Thiosemicarbazones of α-Ketoglutaric Acid: Synthesis, X-ray Structures, DNA Binding Studies, and Nuclease and Biological Activity","Inorganic Chemistry","2004","43","","7170","7179","10.1021/ic049883b","","","0.71069","MoKα","","0.0716","0.0485","","","0.1406","0.1464","","","","","","1.412","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311967","19.686","0.0012","15.448","0.0012","18.1817","0.0012","90","","90","","90","","5529.2","0.7","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C56 H80 O4 S2 V -","- C56 H80 O4 S2 V -","- C224 H320 O16 S8 V4 -","4","0.5","","Tapan K. Paine; Thomas Weyhermüller; Leonardo D. Slep; Frank Neese; Eckhard Bill; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri","Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO)","Inorganic Chemistry","2004","43","","7324","7338","10.1021/ic040052f","","","0.71073","MoKα","","0.0826","0.0506","","0.1483","0.1207","","","","1.024","1.088","1.088","","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311968","19.4267","0.0011","15.3404","0.0009","18.8858","0.0011","90","","90","","90","","5628.2","0.6","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C56 H80 O4 Se2 V -","- C56 H80 O4 Se2 V -","- C224 H320 O16 Se8 V4 -","4","0.5","","Tapan K. Paine; Thomas Weyhermüller; Leonardo D. Slep; Frank Neese; Eckhard Bill; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri","Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO)","Inorganic Chemistry","2004","43","","7324","7338","10.1021/ic040052f","","","0.71073","MoKα","","0.1107","0.057","","0.1155","0.1003","","","","1.024","1.147","1.147","","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311969","20.282","0.006","18.965","0.006","36.913","0.011","90","","99.57","0.04","90","","14001","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H90 O4 P2 V -","- C68 H90 O4 P2 V -","- C544 H720 O32 P16 V8 -","8","1","","Tapan K. Paine; Thomas Weyhermüller; Leonardo D. Slep; Frank Neese; Eckhard Bill; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri","Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO)","Inorganic Chemistry","2004","43","","7324","7338","10.1021/ic040052f","","","0.71073","MoKα","","0.2306","0.1185","","","0.2643","0.3202","","","","","","1.037","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311970","17.3782","0.0008","20.5903","0.0008","22.8046","0.001","75.47","0.01","70.57","0.01","74.3","0.01","7290.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74.5 H99.75 N3.25 O6 P2 V -","- C74.5 H99 N3.25 O6 P2 V -","- C298 H396 N13 O24 P8 V4 -","4","2","","Tapan K. Paine; Thomas Weyhermüller; Leonardo D. Slep; Frank Neese; Eckhard Bill; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri","Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO)","Inorganic Chemistry","2004","43","","7324","7338","10.1021/ic040052f","","","0.71073","MoKα","","0.0769","0.0516","","","0.1149","0.1271","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311971","14.5723","0.0009","15.9764","0.0012","18.0224","0.0014","83.66","0.02","73.39","0.02","65.61","0.02","3661.8","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H96 Cl2 N O7 P2 V -","- C71 H96 Cl2 N O7 P2 V -","- C142 H192 Cl4 N2 O14 P4 V2 -","2","1","","Tapan K. Paine; Thomas Weyhermüller; Leonardo D. Slep; Frank Neese; Eckhard Bill; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri","Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO)","Inorganic Chemistry","2004","43","","7324","7338","10.1021/ic040052f","","","0.71073","MoKα","","0.1134","0.0744","","0.2571","0.2341","","","","1.084","1.25","1.25","","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311972","17.625","0.002","9.6819","0.0009","20.108","0.002","90","","95.31","0.01","90","","3416.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H94 N4 O8 Se2 V2 -","- C64 H94 N4 O8 Se2 V2 -","- C128 H188 N8 O16 Se4 V4 -","2","0.5","","Tapan K. Paine; Thomas Weyhermüller; Leonardo D. Slep; Frank Neese; Eckhard Bill; Eberhard Bothe; Karl Wieghardt; Phalguni Chaudhuri","Nonoxovanadium(IV) and Oxovanadium(V) Complexes with Mixed O, X, O-Donor Ligands (X = S, Se, P, or PO)","Inorganic Chemistry","2004","43","","7324","7338","10.1021/ic040052f","","","0.71073","MoKα","","0.0915","0.0496","","0.1287","0.112","","","","1.026","1.117","1.117","","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311973","21.5524","0.0014","6.7015","0.0005","18.6491","0.0012","90","","90.366","0.001","90","","2693.5","0.3","383","2","383","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H40 N4 Ni2 O18 P4 -","- C12 H40 N4 Ni2 O18 P4 -","- C48 H160 N16 Ni8 O72 P16 -","4","0.5","","Kong; Dmitri G. Medvedev; Abraham Clearfield","DOTP-Manganese and -Nickel Complexes: from a Tetrahedral Network with 12-Membered Rings to an Ionic Phosphonate","Inorganic Chemistry","2004","43","","7308","7314","10.1021/ic040076m","","","0.71073","MoKα","","0.0397","0.0371","","","0.0934","0.0957","","","","","","1.115","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311974","12.349","0.002","12.349","0.002","14.066","0.004","90","","90","","90","","2145","0.8","383","2","383","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H32 Mn N4 O12 P4 -","- C12 H32 Mn N4 O12 P4 -","- C48 H128 Mn4 N16 O48 P16 -","4","0.25","","Kong; Dmitri G. Medvedev; Abraham Clearfield","DOTP-Manganese and -Nickel Complexes: from a Tetrahedral Network with 12-Membered Rings to an Ionic Phosphonate","Inorganic Chemistry","2004","43","","7308","7314","10.1021/ic040076m","","","0.71073","MoKα","","0.0448","0.0443","","","0.1298","0.1304","","","","","","1.193","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311975","30.5141","0.0019","33.783","0.002","29.9408","0.0019","90","","92.216","0.001","90","","30842","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[di(μ8-bromo)octabromohexatrikonta(μ3-hydroxy)tetra(μ-hydroxy) dodekakis-{N,N-bis-(2-carboxyethyl)-3-aminopropanoato}-octaeikosi(aquo) tetratetrakontacopper(II)] dibromide 81(water)","","- C108 H402 Br12 Cu44 N12 O221 -","- C108 H180 Br12 Cu44 N12 O221 -","- C432 H720 Br48 Cu176 N48 O884 -","4","0.5","","Muralee Murugesu; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell","Structure and Magnetic Properties of a Giant Cu44II Aggregate Which Packs with a Zeotypic Superstructure","Inorganic Chemistry","2004","43","","7269","7271","10.1021/ic0487171","","","0.71073","MoKα","","0.1892","0.0687","","","0.1726","0.2217","","","","","","0.948","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311976","11.0459","0.0003","18.73","0.0006","22.9226","0.0007","90","","90","","90","","4742.4","0.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 Br6 N12 O9 Re2 -","- C26 H42 Br6 N12 O9 Re2 -","- C104 H168 Br24 N48 O36 Re8 -","4","1","","Christian Tessier; Fernande D. Rochon; André L. Beauchamp","Binding of the Oxo-Rhenium(V) Core to Methionine and to N-Terminal Histidine Dipeptides","Inorganic Chemistry","2004","43","","7463","7473","10.1021/ic048776e","","","1.54178","CuKα","","0.1016","0.0541","","","0.0758","0.086","","","","","","0.877","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4311977","9.5943","0.0012","9.9229","0.0013","17.52","0.002","79.821","0.002","79.823","0.002","82.704","0.002","1608","0.3","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H56 B Fe P3 -","- C28 H56 B Fe P3 -","- C56 H112 B2 Fe2 P6 -","2","1","","Erin J. Daida; Jonas C. Peters","Considering FeII/IV Redox Processes as Mechanistically Relevant to the Catalytic Hydrogenation of Olefins by [PhBPiPr3]Fe-Hx Species","Inorganic Chemistry","2004","43","","7474","7485","10.1021/ic0488583","","","0.71073","MoKα","","0.1181","0.0552","","","0.0806","0.09","","","","","","1.136","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311978","9.4372","0.0004","11.7832","0.0004","16.7231","0.0006","90","","105.476","0.001","90","","1792.19","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H60 B Fe P3 -","- C34 H60 B Fe P3 -","- C68 H120 B2 Fe2 P6 -","2","1","","Erin J. Daida; Jonas C. Peters","Considering FeII/IV Redox Processes as Mechanistically Relevant to the Catalytic Hydrogenation of Olefins by [PhBPiPr3]Fe-Hx Species","Inorganic Chemistry","2004","43","","7474","7485","10.1021/ic0488583","","","0.71073","MoKα","","0.0667","0.0479","","","0.0814","0.0839","","","","","","1.473","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311979","9.593","0.0005","21.5351","0.0013","17.0091","0.001","90","","93.022","0.002","90","","3509","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H65 B Fe P4 -","- C30 H65 B Fe P4 -","- C120 H260 B4 Fe4 P16 -","4","1","","Erin J. Daida; Jonas C. Peters","Considering FeII/IV Redox Processes as Mechanistically Relevant to the Catalytic Hydrogenation of Olefins by [PhBPiPr3]Fe-Hx Species","Inorganic Chemistry","2004","43","","7474","7485","10.1021/ic0488583","","","0.71073","MoKα","","0.0774","0.0476","","","0.0937","0.0997","","","","","","1.59","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311980","9.7111","0.0003","21.5823","0.0007","17.0048","0.0006","90","","93.855","0.002","90","","3555.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 B Fe P4 -","- C30 H62 B Fe P4 -","- C120 H248 B4 Fe4 P16 -","4","1","","Erin J. Daida; Jonas C. Peters","Considering FeII/IV Redox Processes as Mechanistically Relevant to the Catalytic Hydrogenation of Olefins by [PhBPiPr3]Fe-Hx Species","Inorganic Chemistry","2004","43","","7474","7485","10.1021/ic0488583","","","0.71073","MoKα","","0.107","0.0582","","","0.0943","0.0991","","","","","","1.423","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311981","10.7025","0.0004","11.3184","0.0004","17.4476","0.0006","89.106","0.002","85.292","0.001","74.31","0.001","2027.85","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H67 B Fe P4 -","- C40 H67 B Fe P4 -","- C80 H134 B2 Fe2 P8 -","2","1","","Erin J. Daida; Jonas C. Peters","Considering FeII/IV Redox Processes as Mechanistically Relevant to the Catalytic Hydrogenation of Olefins by [PhBPiPr3]Fe-Hx Species","Inorganic Chemistry","2004","43","","7474","7485","10.1021/ic0488583","","","0.71073","MoKα","","0.0764","0.0446","","","0.0786","0.083","","","","","","1.246","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311982","10.7746","0.0003","11.2759","0.0003","17.5884","0.0005","88.703","0.001","85.689","0.001","74.118","0.001","2049.48","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H66 B Fe P4 -","- C40 H66 B Fe P4 -","- C80 H132 B2 Fe2 P8 -","2","1","","Erin J. Daida; Jonas C. Peters","Considering FeII/IV Redox Processes as Mechanistically Relevant to the Catalytic Hydrogenation of Olefins by [PhBPiPr3]Fe-Hx Species","Inorganic Chemistry","2004","43","","7474","7485","10.1021/ic0488583","","","0.71073","MoKα","","0.0633","0.04","","","0.0762","0.0795","","","","","","1.381","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311983","9.7306","0.0005","21.4172","0.001","16.9869","0.0008","90","","93.211","0.001","90","","3534.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H63 B Fe P4 -","- C30 H63 B Fe P4 -","- C120 H252 B4 Fe4 P16 -","4","1","","Erin J. Daida; Jonas C. Peters","Considering FeII/IV Redox Processes as Mechanistically Relevant to the Catalytic Hydrogenation of Olefins by [PhBPiPr3]Fe-Hx Species","Inorganic Chemistry","2004","43","","7474","7485","10.1021/ic0488583","","","0.71073","MoKα","","0.0677","0.0444","","","0.0762","0.0787","","","","","","1.608","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311984","32.2566","0.0018","20.1227","0.0011","27.864","0.0016","90","","116.13","0.002","90","","16237.8","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C145.25 H174.25 Mn16 O65 -","- C147.36 H148 Mn16 O62.01 -","- C589.44 H592 Mn64 O248.04 -","4","0.5","","Philippa King; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","A Family of Mn16 Single-Molecule Magnets from a Reductive Aggregation Route","Inorganic Chemistry","2004","43","","7315","7323","10.1021/ic048906j","","","0.71073","MoKα","","0.088","0.0509","","","0.1445","0.1638","","","","","","1.05","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311985","11.3723","0.0012","8.4284","0.0009","19.977","0.002","90","","93.289","0.002","90","","1911.6","0.3","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C30 H44 Cl2 N6 O2 Pd2 S6 -","- C30 H44 Cl2 N6 O2 Pd2 S6 -","- C60 H88 Cl4 N12 O4 Pd4 S12 -","2","0.5","","Md. Alamgir Hossain; Simone Lucarini; Douglas Powell; Kristin Bowman-James","Ditopic Double Pincer Palladacycle Catalyst for C-C Coupling","Inorganic Chemistry","2004","43","","7275","7277","10.1021/ic0489645","","","0.71073","MoKα","","0.0378","0.0345","","","0.1013","0.104","","","","","","1.04","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311986","17.8474","0.0004","17.8474","0.0004","18.0638","0.0004","90","","90","","120","","4982.99","0.19","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","Compound gc461y","","","- C42 H114 Fe6 N6 Na12 O81 -","- C42 H24 Fe6 N6 Na6 O87.01 -","- C84 H48 Fe12 N12 Na12 O174.02 -","2","0.166667","","Geoffrey J. T. Cooper; Hamera Abbas; Paul Kögerler; De-Liang Long; Leroy Cronin","Pentadecadentate Chelating Ligands as Building Blocks for a {Fe6} Cage with 12 Exo-Coordinated Sodium Cations","Inorganic Chemistry","2004","43","","7266","7268","10.1021/ic049068w","","","0.71073","MoKα","","0.0764","0.0633","","","0.1718","0.1807","","","","","","1.082","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311987","17.772","0.003","19.956","0.004","16.459","0.003","90","","91.52","0.03","90","","5835.3","1.9","301","2","301","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H84 Au2 O10 P2 S2 -","- C53 H84 Au2 O10 P2 S2 -","- C212 H336 Au8 O40 P8 S8 -","4","1","","Chi-Kwan Li; Xiao-Xia Lu; Keith Man-Chung Wong; Chui-Ling Chan; Nianyong Zhu; Vivian Wing-Wah Yam","Molecular Design of Luminescence Ion Probes for Various Cations Based on Weak Gold(I)...Gold(I) Interactions in Dinuclear Gold(I) Complexes","Inorganic Chemistry","2004","43","","7421","7430","10.1021/ic049094u","","","0.71069","MoKα","","0.1406","0.0396","","","0.1136","0.153","","","","","","0.973","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311988","18.934","0.004","20.287","0.004","16.638","0.003","90","","91.51","0.03","90","","6389","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H90 Au2 O12 P2 S2 -","- C57 H76 Au2 O12 P2 S2 -","- C228 H304 Au8 O48 P8 S8 -","4","1","","Chi-Kwan Li; Xiao-Xia Lu; Keith Man-Chung Wong; Chui-Ling Chan; Nianyong Zhu; Vivian Wing-Wah Yam","Molecular Design of Luminescence Ion Probes for Various Cations Based on Weak Gold(I)...Gold(I) Interactions in Dinuclear Gold(I) Complexes","Inorganic Chemistry","2004","43","","7421","7430","10.1021/ic049094u","","","0.71069","MoKα","","0.1","0.0475","","","0.1223","0.144","","","","","","0.877","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311989","19.0913","0.0004","16.3501","0.0003","27.994","","90","","91.429","0.001","90","","8735.5","0.2","293","2","293","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C42 H39 Cl Cu F0 N2 O5 P2 Pt0.5 S -","- C40.5 H32 Cl Cu N2 O5 P2 Pt0.5 S -","- C324 H256 Cl8 Cu8 N16 O40 P16 Pt4 S8 -","8","1","","Yan-Dan Chen; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Syntheses, Characterization, and Luminescence of PtII-MI (M = Cu, Ag, Au) Heterometallic Complexes by Incorporating Pt(diimine)(dithiolate) with [M2(dppm)2]2+ (dppm = Bis(diphenylphosphino)methane)","Inorganic Chemistry","2004","43","","7493","7501","10.1021/ic049104r","","","0.71073","MoKα","","0.1265","0.0887","","","0.2129","0.2485","","","","","","1.194","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311990","12.7116","0.0005","18.9579","0.0007","16.217","0.0007","90","","94.227","0.001","90","","3897.4","0.3","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Ag Cl0 F6 O1.5 P2 Pt S2 Sb -","- C31 H36 Ag F6 O1.5 P2 Pt S2 Sb -","- C124 H144 Ag4 F24 O6 P8 Pt4 S8 Sb4 -","4","1","","Yan-Dan Chen; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Syntheses, Characterization, and Luminescence of PtII-MI (M = Cu, Ag, Au) Heterometallic Complexes by Incorporating Pt(diimine)(dithiolate) with [M2(dppm)2]2+ (dppm = Bis(diphenylphosphino)methane)","Inorganic Chemistry","2004","43","","7493","7501","10.1021/ic049104r","","","0.71073","MoKα","","0.104","0.0721","","","0.1585","0.1844","","","","","","1.207","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311991","12.6868","0.0008","19.1881","0.0012","16.2437","0.001","90","","91.151","0.002","90","","3953.5","0.4","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Ag F6 O1.5 P2 Pt S2 Sb -","- C32 H28 Ag F6 O1.5 P2 Pt S2 Sb -","- C128 H112 Ag4 F24 O6 P8 Pt4 S8 Sb4 -","4","1","","Yan-Dan Chen; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen","Syntheses, Characterization, and Luminescence of PtII-MI (M = Cu, Ag, Au) Heterometallic Complexes by Incorporating Pt(diimine)(dithiolate) with [M2(dppm)2]2+ (dppm = Bis(diphenylphosphino)methane)","Inorganic Chemistry","2004","43","","7493","7501","10.1021/ic049104r","","","0.71073","MoKα","","0.147","0.0803","","","0.1288","0.1553","","","","","","1.172","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311992","18.4525","0.0008","12.0836","0.0005","16.6622","0.0007","90","","90","","90","","3715.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","CH3CNAg[N{(C3F7)C(Dipp)N}2]","","","- C34 H37 Ag F14 N4 -","- C34 H37 Ag F14 N4 -","- C136 H148 Ag4 F56 N16 -","4","1","","H. V. Rasika Dias; Shreeyukta Singh","Silver(I) Complexes of a Sterically Demanding Fluorinated Triazapentadienyl Ligand [N{(C3F7)C(Dipp)N}2]- (Dipp = 2,6-Diisopropylphenyl)","Inorganic Chemistry","2004","43","","7396","7402","10.1021/ic0491231","","","0.71073","MoKα","","0.0231","0.0221","","","0.055","0.0556","","","","","","1.041","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311993","23.111","0.003","19.512","0.002","18.112","0.002","90","","90","","90","","8167.5","1.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","tBuNCAg[N{(C3F7)C(Dipp)N}2]","","","- C37 H43 Ag F14 N4 -","- C37 H43 Ag F14 N4 -","- C296 H344 Ag8 F112 N32 -","8","2","","H. V. Rasika Dias; Shreeyukta Singh","Silver(I) Complexes of a Sterically Demanding Fluorinated Triazapentadienyl Ligand [N{(C3F7)C(Dipp)N}2]- (Dipp = 2,6-Diisopropylphenyl)","Inorganic Chemistry","2004","43","","7396","7402","10.1021/ic0491231","","","0.71073","MoKα","","0.0543","0.0517","","","0.122","0.1247","","","","","","1.101","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311994","38.717","0.004","38.717","0.004","13.053","0.003","90","","90","","90","","19567","5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[N{(C3F7)C(Dipp)N}2]AgPPh3","","","- C50 H49 Ag F14 N3 P -","- C50 H49 Ag F14 N3 P -","- C800 H784 Ag16 F224 N48 P16 -","16","1","","H. V. Rasika Dias; Shreeyukta Singh","Silver(I) Complexes of a Sterically Demanding Fluorinated Triazapentadienyl Ligand [N{(C3F7)C(Dipp)N}2]- (Dipp = 2,6-Diisopropylphenyl)","Inorganic Chemistry","2004","43","","7396","7402","10.1021/ic0491231","","","0.71073","MoKα","","0.0568","0.0385","","","0.0904","0.1016","","","","","","1.02","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311995","6.956","0.0008","6.956","0.0008","21.791","0.005","90","","90","","120","","913.1","0.3","153","2","153","2","","","","","","","","7","P 31","P 31","144","","","","- C9 H12 Cl2 Cu N2 O S -","- C9 H12 Cl2 Cu N2 O S -","- C27 H36 Cl6 Cu3 N6 O3 S3 -","3","1","","Eric L. Klein; Masood A. Khan; Robert P. Houser","Synthesis, Characterization, and Reactivity of New Copper(II) Complexes of 2-Methylthio-N-(2-pyridylmethyl)acetamide","Inorganic Chemistry","2004","43","","7272","7274","10.1021/ic049136e","","","0.71073","MoKα","","0.0257","0.0251","","","0.0617","0.062","","","","","","1.023","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311996","7.3002","0.0003","8.2461","0.0004","10.843","0.0005","78.059","0.001","80.354","0.001","84.568","0.001","628.36","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H15 Cl Cu N2 O2 S -","- C10 H15 Cl Cu N2 O2 S -","- C20 H30 Cl2 Cu2 N4 O4 S2 -","2","1","","Eric L. Klein; Masood A. Khan; Robert P. Houser","Synthesis, Characterization, and Reactivity of New Copper(II) Complexes of 2-Methylthio-N-(2-pyridylmethyl)acetamide","Inorganic Chemistry","2004","43","","7272","7274","10.1021/ic049136e","","","0.71073","MoKα","","0.0199","0.0197","","","0.0506","0.0508","","","","","","1.051","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311997","13.3164","0.0018","14.1792","0.0018","14.6144","0.0018","90","","97.539","0.008","90","","2735.6","0.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Ar'PbBr)2","","","- C60 H74 Br2 Pb2 -","- C60 H74 Br2 Pb2 -","- C120 H148 Br4 Pb4 -","2","0.5","","Shirley Hino; Marilyn Olmstead; Andrew D. Phillips; Robert J. Wright; Philip P. Power","Terphenyl Ligand Stabilized Lead(II) Derivatives: Steric Effects and Lead-Lead Bonding in Diplumbenes","Inorganic Chemistry","2004","43","","7346","7352","10.1021/ic049174y","","","0.71073","MoKα","","0.0254","0.0209","","","0.0538","0.056","","","","","","1.039","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311998","14.23","0.002","14.791","0.003","20.433","0.004","100.245","0.007","94.306","0.006","97.848","0.007","4170.6","1.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","[Ar#PbBr]2.2toluene","","","- C90 H122 Br2 Pb2 -","- C90 H122 Br2 Pb2 -","- C180 H244 Br4 Pb4 -","2","1","","Shirley Hino; Marilyn Olmstead; Andrew D. Phillips; Robert J. Wright; Philip P. Power","Terphenyl Ligand Stabilized Lead(II) Derivatives: Steric Effects and Lead-Lead Bonding in Diplumbenes","Inorganic Chemistry","2004","43","","7346","7352","10.1021/ic049174y","","","0.71073","MoKα","","0.0651","0.0343","","","0.0747","0.0869","","","","","","0.992","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311999","15.668","0.002","17.285","0.002","20.011","0.003","90","","90","","90","","5419.4","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","[Ar'Pb(CH3)]2","","","- C62 H80 Pb2 -","- C62 H80 Pb2 -","- C248 H320 Pb8 -","4","0.5","","Shirley Hino; Marilyn Olmstead; Andrew D. Phillips; Robert J. Wright; Philip P. Power","Terphenyl Ligand Stabilized Lead(II) Derivatives: Steric Effects and Lead-Lead Bonding in Diplumbenes","Inorganic Chemistry","2004","43","","7346","7352","10.1021/ic049174y","","","0.71073","MoKα","","0.085","0.0321","","","0.0736","0.0987","","","","","","1.069","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4312000","13.477","0.003","16.148","0.003","19.017","0.004","105.856","0.003","106.89","0.003","101.503","0.003","3630.5","1.3","86","2","86","2","","","","","","","","3","P -1","-P 1","2","Ar'*Pb(p-t-BuPhenyl)0.25n-hexane","","","- C41.5 H53.5 Pb -","- C41.5 H53.5 Pb -","- C166 H214 Pb4 -","4","2","","Shirley Hino; Marilyn Olmstead; Andrew D. Phillips; Robert J. Wright; Philip P. Power","Terphenyl Ligand Stabilized Lead(II) Derivatives: Steric Effects and Lead-Lead Bonding in Diplumbenes","Inorganic Chemistry","2004","43","","7346","7352","10.1021/ic049174y","","","0.71073","MoKα","","0.0627","0.0385","","","0.0901","0.0997","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312001","9.666","0.002","9.567","0.002","32.913","0.007","90","","95.306","0.004","90","","3030.6","1.1","91","2","91","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Ar'*Pb(t-Bu)","","","- C34 H46 Pb -","- C34 H46 Pb -","- C136 H184 Pb4 -","4","1","","Shirley Hino; Marilyn Olmstead; Andrew D. Phillips; Robert J. Wright; Philip P. Power","Terphenyl Ligand Stabilized Lead(II) Derivatives: Steric Effects and Lead-Lead Bonding in Diplumbenes","Inorganic Chemistry","2004","43","","7346","7352","10.1021/ic049174y","","","0.71073","MoKα","","0.0735","0.0595","","","0.124","0.13","","","","","","1.163","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312002","8.0428","0.0005","18.6486","0.0012","27.0344","0.0019","90","","96.516","0.003","90","","4028.6","0.5","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Ar*Pb(p-isopropylbenzyl)","","","- C46 H62 Pb -","- C46 H62 Pb -","- C184 H248 Pb4 -","4","1","","Shirley Hino; Marilyn Olmstead; Andrew D. Phillips; Robert J. Wright; Philip P. Power","Terphenyl Ligand Stabilized Lead(II) Derivatives: Steric Effects and Lead-Lead Bonding in Diplumbenes","Inorganic Chemistry","2004","43","","7346","7352","10.1021/ic049174y","","","0.71073","MoKα","","0.0374","0.0267","","","0.0631","0.0677","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312003","19.6824","0.0012","15.91","0.0008","16.9291","0.001","90","","101.041","0.003","90","","5203.2","0.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ar*PbSi(SiMe3)3.0.5n-hexane","","","- C48 H83 Pb Si4 -","- C48 H83 Pb Si4 -","- C192 H332 Pb4 Si16 -","4","1","","Shirley Hino; Marilyn Olmstead; Andrew D. Phillips; Robert J. Wright; Philip P. Power","Terphenyl Ligand Stabilized Lead(II) Derivatives: Steric Effects and Lead-Lead Bonding in Diplumbenes","Inorganic Chemistry","2004","43","","7346","7352","10.1021/ic049174y","","","0.71073","MoKα","","0.0479","0.0331","","","0.0597","0.0644","","","","","","1.131","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312004","11.0167","0.0012","11.0796","0.0012","27.931","0.003","90","","112.096","0.002","90","","3158.9","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(C~8~H~15~N~6)]B(C~6~H~5~)~4~^.^CH~3~OH","","","- C33 H39 B N6 O Pt -","- C33 H39 B N6 O Pt -","- C132 H156 B4 N24 O4 Pt4 -","4","1","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Effects of Pt...Pt Bonding, Anions, Solvate Molecules, and Hydrogen Bonding on the Self-Association of Chugaev's Cation, a Platinum Complex with a Chelating Carbene Ligand","Inorganic Chemistry","2004","43","","7508","7515","10.1021/ic049226j","","","0.71073","MoKα","","0.0836","0.0387","","","0.0794","0.0992","","","","","","1.038","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312005","10.681","0.003","19.021","0.006","20.62","0.007","90","","90.446","0.007","90","","4189","2","90","2","90","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Chugaev's PF6 salt dichloromethane solvate","","","- C8.98 H16.95 Cl1.95 F6 N6 P Pt -","- C8.975 H16.95 Cl1.95 F6 N6 P Pt -","- C71.8 H135.6 Cl15.6 F48 N48 P8 Pt8 -","8","2","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Effects of Pt...Pt Bonding, Anions, Solvate Molecules, and Hydrogen Bonding on the Self-Association of Chugaev's Cation, a Platinum Complex with a Chelating Carbene Ligand","Inorganic Chemistry","2004","43","","7508","7515","10.1021/ic049226j","","","0.71073","MoKα","","0.0884","0.082","","","0.1882","0.1919","","","","","","1.219","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312006","6.6678","0.001","19.959","0.003","12.5422","0.0018","90","","93.115","0.003","90","","1666.7","0.4","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Pt(C~8~H~15~N~6~)]Cl^.^4H~2~O","","","- C8 H23 Cl N6 O4 Pt -","- C8 H23 Cl N6 O4 Pt -","- C32 H92 Cl4 N24 O16 Pt4 -","4","2","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Effects of Pt...Pt Bonding, Anions, Solvate Molecules, and Hydrogen Bonding on the Self-Association of Chugaev's Cation, a Platinum Complex with a Chelating Carbene Ligand","Inorganic Chemistry","2004","43","","7508","7515","10.1021/ic049226j","","","0.71073","MoKα","","0.023","0.0204","","","0.0435","0.044","","","","","","1.013","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312007","17.4705","0.0014","12.394","0.001","13.0137","0.001","90","","113.715","0.001","90","","2579.9","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Pt(C~8~H~15~N~6~)]Cl^.^0.1H~2~O","","","- C8 H15 Cl N6 O0.1 Pt -","- C8 H15 Cl N6 O0.1 Pt -","- C64 H120 Cl8 N48 O0.8 Pt8 -","8","1","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Effects of Pt...Pt Bonding, Anions, Solvate Molecules, and Hydrogen Bonding on the Self-Association of Chugaev's Cation, a Platinum Complex with a Chelating Carbene Ligand","Inorganic Chemistry","2004","43","","7508","7515","10.1021/ic049226j","","","0.71073","MoKα","","0.0246","0.0165","","","0.0351","0.0375","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312008","6.6625","0.0013","12.215","0.003","21.932","0.005","79.086","0.006","84.987","0.007","75.038","0.005","1691.8","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[Pt(C~8~H~15~N~6~]Br^.^3.5H~2~O","","","- C8 H22 Br N6 O3.5 Pt -","- C8 H22 Br N6 O3.5 Pt -","- C32 H88 Br4 N24 O14 Pt4 -","4","2","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Effects of Pt...Pt Bonding, Anions, Solvate Molecules, and Hydrogen Bonding on the Self-Association of Chugaev's Cation, a Platinum Complex with a Chelating Carbene Ligand","Inorganic Chemistry","2004","43","","7508","7515","10.1021/ic049226j","","","0.71073","MoKα","","0.0477","0.0365","","","0.0762","0.0798","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312009","10.9785","0.0005","11.2183","0.0005","24.4543","0.0011","77.8998","0.001","83.5096","0.001","73.7155","0.001","2822","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H84 N25 P3 -","- C41 H84 N25 P3 -","- C82 H168 N50 P6 -","2","1","","Xiaodong Liu; Natesan Thirupathi; Ilia A. Guzei; John G. Verkade","An Investigation of Staudinger Reactions Involving cis-1,3,5-Triazidocyclohexane and Tri(alkylamino)phosphines","Inorganic Chemistry","2004","43","","7431","7440","10.1021/ic0492845","","","0.71073","MoKα","","0.0457","0.0379","","","0.1051","0.1096","","","","","","1.065","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312010","11.2306","0.0005","15.4844","0.0007","21.6952","0.001","90","","98.379","0.001","90","","3732.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H63 N12 P3 -","- C30 H63 N12 P3 -","- C120 H252 N48 P12 -","4","1","","Xiaodong Liu; Natesan Thirupathi; Ilia A. Guzei; John G. Verkade","An Investigation of Staudinger Reactions Involving cis-1,3,5-Triazidocyclohexane and Tri(alkylamino)phosphines","Inorganic Chemistry","2004","43","","7431","7440","10.1021/ic0492845","","","0.71073","MoKα","","0.0888","0.0655","","","0.1506","0.159","","","","","","1.037","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312011","8.0902","0.0004","12.3661","0.0007","13.6035","0.0007","90","","90","","90","","1360.95","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H23 Br N5 P -","- C9 H23 Br N5 P -","- C36 H92 Br4 N20 P4 -","4","1","","Xiaodong Liu; Natesan Thirupathi; Ilia A. Guzei; John G. Verkade","An Investigation of Staudinger Reactions Involving cis-1,3,5-Triazidocyclohexane and Tri(alkylamino)phosphines","Inorganic Chemistry","2004","43","","7431","7440","10.1021/ic0492845","","","0.71073","MoKα","","0.0253","0.024","","","0.0629","0.0634","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312012","14.031","0.003","9.522","0.003","17.977","0.005","90","","105.198","0.005","90","","2317.8","1.1","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 Cl N3 P -","- C23 H37 Cl N3 P -","- C92 H148 Cl4 N12 P4 -","4","1","","Neil Burford; C. Adam Dyker; Andrew D. Phillips; Heather A. Spinney; Andreas Decken; Robert McDonald; Paul J. Ragogna; Arnold L. Rheingold","Ylidene\ρightarrowIminophosphine Coordination Complexes and Reversible Dissociation of Dichlorophosphetidines","Inorganic Chemistry","2004","43","","7502","7507","10.1021/ic049333d","","","0.71073","MoKα","","0.0717","0.0622","","","0.162","0.1748","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312013","9.1543","0.0006","9.3381","0.0006","13.4586","0.0008","90","","90","","90","","1150.49","0.13","193","2","193","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H20 N2 -","- C11 H20 N2 -","- C44 H80 N8 -","4","0.5","","Neil Burford; C. Adam Dyker; Andrew D. Phillips; Heather A. Spinney; Andreas Decken; Robert McDonald; Paul J. Ragogna; Arnold L. Rheingold","Ylidene\ρightarrowIminophosphine Coordination Complexes and Reversible Dissociation of Dichlorophosphetidines","Inorganic Chemistry","2004","43","","7502","7507","10.1021/ic049333d","","","0.71073","MoKα","","0.0438","0.04","","","0.1096","0.1128","","","","","","1.092","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312014","8.531","0.005","9.659","0.005","21.359","0.011","77.668","0.011","79.791","0.01","64.43","0.01","1543.8","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H49 Br N3 P -","- C29 H49 Br N3 P -","- C58 H98 Br2 N6 P2 -","2","1","","Neil Burford; C. Adam Dyker; Andrew D. Phillips; Heather A. Spinney; Andreas Decken; Robert McDonald; Paul J. Ragogna; Arnold L. Rheingold","Ylidene\ρightarrowIminophosphine Coordination Complexes and Reversible Dissociation of Dichlorophosphetidines","Inorganic Chemistry","2004","43","","7502","7507","10.1021/ic049333d","","","0.71073","MoKα","","0.1208","0.0624","","","0.1312","0.1517","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312015","8.4383","0.0005","9.5486","0.0006","21.4547","0.0014","77.177","0.001","80.761","0.001","65.159","0.001","1525.19","0.17","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H49 I N3 P -","- C29 H49 I N3 P -","- C58 H98 I2 N6 P2 -","2","1","","Neil Burford; C. Adam Dyker; Andrew D. Phillips; Heather A. Spinney; Andreas Decken; Robert McDonald; Paul J. Ragogna; Arnold L. Rheingold","Ylidene\ρightarrowIminophosphine Coordination Complexes and Reversible Dissociation of Dichlorophosphetidines","Inorganic Chemistry","2004","43","","7502","7507","10.1021/ic049333d","","","0.71073","MoKα","","0.0705","0.0457","","","0.0925","0.1019","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312016","36.903","0.002","13.9868","0.0009","21.7839","0.0013","90","","122.709","0.001","90","","9460.9","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Fe6 H60.8 K2 Na6 O101.4 Si2 W18 -","- Fe6 K2 Na6 O101.4 Si2 W18 -","- Fe24 K8 Na24 O405.6 Si8 W72 -","4","0.5","","Travis M. Anderson; Wade A. Neiwert; Kenneth I. Hardcastle; Craig L. Hill","Multi-Iron Silicotungstates: Synthesis, Characterization, and Stability Studies of Polyoxometalate Dimers","Inorganic Chemistry","2004","43","","7353","7358","10.1021/ic049517s","","","0.71073","MoKα","","0.0563","0.0457","","","0.1104","0.1166","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312017","22.454","0.002","12.3872","0.0012","37.421","0.002","90","","100.107","0.008","90","","10246.8","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Fe6 H80.2 K4 Na7 O112.6 Si2 W18 -","- Fe6 K4 Na7 O112.6 Si2 W18 -","- Fe24 K16 Na28 O450.4 Si8 W72 -","4","0.5","","Travis M. Anderson; Wade A. Neiwert; Kenneth I. Hardcastle; Craig L. Hill","Multi-Iron Silicotungstates: Synthesis, Characterization, and Stability Studies of Polyoxometalate Dimers","Inorganic Chemistry","2004","43","","7353","7358","10.1021/ic049517s","","","0.71073","MoKα","","0.0559","0.0511","","","0.1094","0.1112","","","","","","1.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312018","16.087","0.0004","35.109","0.002","19.139","0.0008","90","","95.183","0.003","90","","10765.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C119 H95 Cu2 N8 O1.5 -","- C119 H92 Cu2 N8 O1.499 -","- C476 H368 Cu8 N32 O5.996 -","4","1","","Roger Guilard; Claude P. Gros; Jean-Michel Barbe; Enrique Espinosa; François Jérôme; Alain Tabard; Jean-Marc Latour; Jianguo Shao; Zhongping Ou; Karl M. Kadish","Alkyl- and Aryl-Substituted Corroles. 5. Synthesis, Physicochemical Properties, and X-ray Structural Characterization of Copper Biscorroles and Porphyrin-Corrole Dyads","Inorganic Chemistry","2004","43","","7441","7455","10.1021/ic049651c","","","0.71073","MoKα","","0.134","0.094","","0.158","","0.134","","","1.124","","","1.124","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312019","10.255","0.0002","16.389","0.0003","29.791","0.0008","74.792","0.0014","81.681","0.0012","72.504","0.0015","4596.29","0.18","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C113 H82 Cl9 Cu2 D3 N8 -","- C113 H85 Cl9 Cu2 N8 -","- C226 H170 Cl18 Cu4 N16 -","2","1","","Roger Guilard; Claude P. Gros; Jean-Michel Barbe; Enrique Espinosa; François Jérôme; Alain Tabard; Jean-Marc Latour; Jianguo Shao; Zhongping Ou; Karl M. Kadish","Alkyl- and Aryl-Substituted Corroles. 5. Synthesis, Physicochemical Properties, and X-ray Structural Characterization of Copper Biscorroles and Porphyrin-Corrole Dyads","Inorganic Chemistry","2004","43","","7441","7455","10.1021/ic049651c","","","0.7107","MoKα","","0.1604","0.1011","","","0.2368","0.2857","","","","","","1.022","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312020","16.7071","0.0003","10.6719","0.0002","40.8555","0.0008","90","","100.87","0.001","90","","7153.7","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H72 Cl3 Cu2 N8 -","- C90 H72 Cl3 Cu2 N8 -","- C360 H288 Cl12 Cu8 N32 -","4","1","","Roger Guilard; Claude P. Gros; Jean-Michel Barbe; Enrique Espinosa; François Jérôme; Alain Tabard; Jean-Marc Latour; Jianguo Shao; Zhongping Ou; Karl M. Kadish","Alkyl- and Aryl-Substituted Corroles. 5. Synthesis, Physicochemical Properties, and X-ray Structural Characterization of Copper Biscorroles and Porphyrin-Corrole Dyads","Inorganic Chemistry","2004","43","","7441","7455","10.1021/ic049651c","","","0.7107","MoKα","","0.1083","0.0668","","","0.135","0.1573","","","","","","1.072","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312021","10.4545","0.0006","17.1635","0.0009","16.2844","0.0009","90","","104.585","0.001","90","","2827.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Mo N8 -","- C34 H26 Mo N8 -","- C136 H104 Mo4 N32 -","4","1","","Anasuya Sanyal; Priyabrata Banerjee; Gene-Hsiang Lee; Shie-Ming Peng; Chen-Hsiung Hung; Sreebrata Goswami","Unusual Reduction of Ammonium Heptamolybdate to Novel Molybdenum(IV)-Stabilized Azo Anion Radical Complexes","Inorganic Chemistry","2004","43","","7456","7462","10.1021/ic049671e","","","0.71073","MoKα","","0.0442","0.0295","","","0.0597","0.0628","","","","","","0.997","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312022","10.5691","0.0004","13.9169","0.0006","14.5209","0.0006","107.781","0.001","105.807","0.001","98.666","0.001","1892.11","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Mo N8 S2 -","- C36 H30 Mo N8 S2 -","- C72 H60 Mo2 N16 S4 -","2","1","","Anasuya Sanyal; Priyabrata Banerjee; Gene-Hsiang Lee; Shie-Ming Peng; Chen-Hsiung Hung; Sreebrata Goswami","Unusual Reduction of Ammonium Heptamolybdate to Novel Molybdenum(IV)-Stabilized Azo Anion Radical Complexes","Inorganic Chemistry","2004","43","","7456","7462","10.1021/ic049671e","","","0.71073","MoKα","","0.0779","0.0601","","","0.178","0.189","","","","","","1.13","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312023","11.43","0.005","13.349","0.002","19.355","0.006","75.15","0.02","79.19","0.03","82.12","0.02","2791.5","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Fe N Ni3 S30 -","- C36 H18 Fe N Ni3 S30 -","- C72 H36 Fe2 N2 Ni6 S60 -","2","1","","Yoon-Kyoung Han; Dong-Kyun Seo; Haeyong Kang; Woun Kang; Dong-Youn Noh","New 1:3 Type Nickel-Bis(dithiolene) Salt (FcCHCHPymCH3)[Ni(dmit)2]3 (dmit: 2-Thioxo-1,3-dithiole-4,5-dithiolate): Its Electrocrystallization, Crystal Structure, Electrical Properties, and Electronic Band Structure Analysis","Inorganic Chemistry","2004","43","","7294","7300","10.1021/ic0497432","","","0.71073","MoKα","","0.0796","0.0655","","","0.136","0.1449","","","","","","1.155","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312024","9.193","0.0006","14.7697","0.0009","17.7996","0.0009","90","","90.459","0.005","90","","2416.7","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Cl F12 N5 O2 P2 Ru -","- C15 H21 Cl F12 N5 O2 P2 Ru -","- C60 H84 Cl4 F48 N20 O8 P8 Ru4 -","4","1","","Almut Czap; Frank W. Heinemann; Rudi van Eldik","Influence of Terpyridine as π-Acceptor Ligand on the Kinetics and Mechanism of the Reaction of NO with Ruthenium(III) Complexes","Inorganic Chemistry","2004","43","","7832","7843","10.1021/ic0350685","","","0.71073","MoKα","","0.0724","0.038","","","0.0828","0.0936","","","","","","1.014","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4312025","11.108","0.0003","18.6362","0.0006","10.4397","0.0002","90","","105.488","0.002","90","","2082.65","0.1","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Cl Co N4 O8 -","- C12 H36 Cl Co N4 O8 -","- C48 H144 Cl4 Co4 N16 O32 -","4","0.5","","A. F. M. Mokhlesur Rahman; W. Gregory Jackson; Anthony C. Willis","The First Sideways-Bonded Peroxo Complex for a Tetraaminecobalt(III) Species","Inorganic Chemistry","2004","43","","7558","7560","10.1021/ic040044z","","","0.7107","MoKα","","0.0459","0.0349","","0.0413","","0.0387","","","1.036","","","1.105","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312026","8.24","0.03","9.4","0.04","12.17","0.05","96.28","0.09","91.71","0.09","109.51","0.08","881","6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 B4 F12 Li2 N4 O12 -","- C26 H26 B4 F12 Li2 N4 O12 -","- C26 H26 B4 F12 Li2 N4 O12 -","1","0.5","","Thomas J. Barbarich; Peter F. Driscoll; Suzette Izquierdo; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","New Family of Lithium Salts for Highly Conductive Nonaqueous Electrolytes","Inorganic Chemistry","2004","43","","7764","7773","10.1021/ic040070x","","","0.71073","MoKα","","0.0974","0.0627","","","0.1687","0.1964","","","","","","1.034","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312027","9.0878","0.001","11.4667","0.0013","7.5549","0.0009","90","","90","","90","","787.27","0.16","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C2 H8 B2 F6 Li N O -","- C2 H8 B2 F6 Li N O -","- C8 H32 B8 F24 Li4 N4 O4 -","4","0.25","","Thomas J. Barbarich; Peter F. Driscoll; Suzette Izquierdo; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","New Family of Lithium Salts for Highly Conductive Nonaqueous Electrolytes","Inorganic Chemistry","2004","43","","7764","7773","10.1021/ic040070x","","","0.71073","MoKα","","0.0295","0.0252","","","0.0667","0.0697","","","","","","1.058","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312028","4.5364","0.0004","16.6203","0.0015","12.0854","0.0011","90","","90","","90","","911.19","0.14","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs La Te3 Zn -","- Cs La Te3 Zn -","- Cs4 La4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0278","0.0242","","","0.0574","0.059","","","","","","1.368","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312029","4.4896","0.0005","16.647","0.002","11.9294","0.0015","90","","90","","90","","891.58","0.18","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Pr Te3 Zn -","- Cs Pr Te3 Zn -","- Cs4 Pr4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0359","0.0354","","","0.0871","0.0873","","","","","","1.436","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312030","4.4702","0.0005","16.6648","0.0017","11.8656","0.0012","90","","90","","90","","883.93","0.16","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Nd Te3 Zn -","- Cs Nd Te3 Zn -","- Cs4 Nd4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0297","0.0287","","","0.0728","0.0737","","","","","","1.218","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312031","4.4368","0.0005","16.684","0.0017","11.7724","0.0012","90","","90","","90","","871.44","0.16","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Sm Te3 Zn -","- Cs Sm Te3 Zn -","- Cs4 Sm4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0306","0.0282","","","0.0678","0.0696","","","","","","1.376","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312032","4.4161","0.0004","16.7148","0.0015","11.6989","0.0011","90","","90","","90","","863.55","0.14","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Gd Te3 Zn -","- Cs Gd Te3 Zn -","- Cs4 Gd4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0197","0.0192","","","0.055","0.0553","","","","","","1.361","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312033","4.3838","0.0004","16.709","0.0014","11.6194","0.001","90","","90","","90","","851.11","0.13","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Dy Te3 Zn -","- Cs Dy Te3 Zn -","- Cs4 Dy4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0245","0.0237","","","0.0581","0.0583","","","","","","1.453","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312034","4.3992","0.0004","16.7044","0.0014","11.6634","0.0009","90","","90","","90","","857.1","0.12","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Tb Te3 Zn -","- Cs Tb Te3 Zn -","- Cs4 Tb4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.024","0.0229","","","0.0563","0.0567","","","","","","1.399","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312035","4.3761","0.0014","16.721","0.005","11.582","0.004","90","","90","","90","","847.5","0.5","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Ho Te3 Zn -","- Cs Ho Te3 Zn -","- Cs4 Ho4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0276","0.0268","","","0.0679","0.0682","","","","","","1.162","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312036","4.3604","0.0008","16.706","0.003","11.534","0.002","90","","90","","90","","840.2","0.3","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Er Te3 Zn -","- Cs Er Te3 Zn -","- Cs4 Er4 Te12 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0334","0.0319","","","0.0812","0.0822","","","","","","1.353","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312037","4.3471","0.0007","16.712","0.003","11.5157","0.0019","90","","90","","90","","836.6","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Te3 Tm Zn -","- Cs Te3 Tm Zn -","- Cs4 Te12 Tm4 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0321","0.0309","","","0.0772","0.0779","","","","","","1.286","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312038","4.3864","0.0003","16.7115","0.0012","11.6102","0.0008","90","","90","","90","","851.07","0.1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Te3 Y Zn -","- Cs Te3 Y Zn -","- Cs4 Te12 Y4 Zn4 -","4","0.25","","Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)","Inorganic Chemistry","2004","43","","7735","7740","10.1021/ic040071p","","","0.71073","MoKα","","0.0171","0.0169","","","0.0387","0.0388","","","","","","1.256","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312039","21.3083","0.0019","23.611","0.002","32.178","0.003","90","","93.82","0.002","90","","16153","2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H122 Mn9 N60 O46 -","- C114 H90 Mn9 N58 O48 -","- C456 H360 Mn36 N232 O192 -","4","1","","Laurence K. Thompson; Timothy L. Kelly; Louise N. Dawe; Hilde Grove; Martin T. Lemaire; Judith A. K. Howard; Elinor C. Spencer; Craig J. Matthews; Stuart T. Onions; Simon J. Coles; Peter N. Horton; Michael B. Hursthouse; Mark E. Light","Mixed Valence Mn(II)/Mn(III) [3 x 3] Grid Complexes: Structural, Electrochemical, Spectroscopic, and Magnetic Properties","Inorganic Chemistry","2004","43","","7605","7616","10.1021/ic040083a","","","0.71073","MoKα","","0.1891","0.1238","","","0.337","0.3792","","","","","","1.041","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312040","18.4441","0.0001","18.4441","0.0001","24.9935","0.0003","90","","90","","90","","8502.41","0.12","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C122 H102 Cl10 Mn9 N58 O56 -","- C122 H102 Cl10 Mn9 N58 O56 -","- C244 H204 Cl20 Mn18 N116 O112 -","2","0.25","","Laurence K. Thompson; Timothy L. Kelly; Louise N. Dawe; Hilde Grove; Martin T. Lemaire; Judith A. K. Howard; Elinor C. Spencer; Craig J. Matthews; Stuart T. Onions; Simon J. Coles; Peter N. Horton; Michael B. Hursthouse; Mark E. Light","Mixed Valence Mn(II)/Mn(III) [3 x 3] Grid Complexes: Structural, Electrochemical, Spectroscopic, and Magnetic Properties","Inorganic Chemistry","2004","43","","7605","7616","10.1021/ic040083a","","","0.71073","MoKα","","0.0681","0.0604","","","0.1684","0.1791","","","","","","1.004","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312041","26","0.005","26.003","0.005","25.006","0.005","90","","107.42","0.03","90","","16131","6","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C114 H84 Cl10 Mn9 N54 O28 -","- C114 H84 Cl10 Mn9 N54 O28 -","- C456 H336 Cl40 Mn36 N216 O112 -","4","1","","Laurence K. Thompson; Timothy L. Kelly; Louise N. Dawe; Hilde Grove; Martin T. Lemaire; Judith A. K. Howard; Elinor C. Spencer; Craig J. Matthews; Stuart T. Onions; Simon J. Coles; Peter N. Horton; Michael B. Hursthouse; Mark E. Light","Mixed Valence Mn(II)/Mn(III) [3 x 3] Grid Complexes: Structural, Electrochemical, Spectroscopic, and Magnetic Properties","Inorganic Chemistry","2004","43","","7605","7616","10.1021/ic040083a","","","0.71073","MoKα","","0.1549","0.0883","","","0.2065","0.2369","","","","","","0.856","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312042","19.115","0.001","19.7221","0.001","26.8334","0.0014","74.719","0.001","77.697","0.001","64.777","0.001","8768.8","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H84 Cl13 Mn9 N54 O40 -","- C114 H84 Cl13 Mn9 N54 O40 -","- C228 H168 Cl26 Mn18 N108 O80 -","2","1","","Laurence K. Thompson; Timothy L. Kelly; Louise N. Dawe; Hilde Grove; Martin T. Lemaire; Judith A. K. Howard; Elinor C. Spencer; Craig J. Matthews; Stuart T. Onions; Simon J. Coles; Peter N. Horton; Michael B. Hursthouse; Mark E. Light","Mixed Valence Mn(II)/Mn(III) [3 x 3] Grid Complexes: Structural, Electrochemical, Spectroscopic, and Magnetic Properties","Inorganic Chemistry","2004","43","","7605","7616","10.1021/ic040083a","","","0.71073","MoKα","","0.18","0.0915","","","0.2277","0.2631","","","","","","0.845","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312043","19.132","0.003","19.97","0.003","26.46","0.004","74.676","0.003","78.596","0.004","64.445","0.003","8755","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H84 Cl14 Mn9 N54 O44 -","- C114 H84 Cl14 Mn9 N54 O44 -","- C228 H168 Cl28 Mn18 N108 O88 -","2","1","","Laurence K. Thompson; Timothy L. Kelly; Louise N. Dawe; Hilde Grove; Martin T. Lemaire; Judith A. K. Howard; Elinor C. Spencer; Craig J. Matthews; Stuart T. Onions; Simon J. Coles; Peter N. Horton; Michael B. Hursthouse; Mark E. Light","Mixed Valence Mn(II)/Mn(III) [3 x 3] Grid Complexes: Structural, Electrochemical, Spectroscopic, and Magnetic Properties","Inorganic Chemistry","2004","43","","7605","7616","10.1021/ic040083a","","","0.71073","MoKα","","0.1946","0.1018","","","0.2423","0.2804","","","","","","0.846","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312044","19.1477","0.001","15.6625","0.0008","17.5373","0.0009","90","","116.015","0.005","90","","4726.6","0.5","100","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl2 Mo N4 O2 -","- C24 H25 Cl2 Mo N4 O2 -","- C192 H200 Cl16 Mo8 N32 O16 -","8","2","","Justin T. Hoffman; Simon Einwaechter; Balwant S. Chohan; Partha Basu; Carl J. Carrano","Isomerization and Oxygen Atom Transfer Reactivity in Oxo-Mo Complexes of Relevance to Molybdoenzymes","Inorganic Chemistry","2004","43","","7573","7575","10.1021/ic048775m","","","0.71073","MoKα","","0.0649","0.045","","","0.1015","0.1068","","","","","","1.5","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312045","9.7589","0.0006","15.5178","0.001","15.408","0.0009","90","","94.171","0.001","90","","2327.2","0.2","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl Mo N4 O3 -","- C24 H25 Cl Mo N4 O3 -","- C96 H100 Cl4 Mo4 N16 O12 -","4","1","","Justin T. Hoffman; Simon Einwaechter; Balwant S. Chohan; Partha Basu; Carl J. Carrano","Isomerization and Oxygen Atom Transfer Reactivity in Oxo-Mo Complexes of Relevance to Molybdoenzymes","Inorganic Chemistry","2004","43","","7573","7575","10.1021/ic048775m","","","0.71073","MoKα","","0.0429","0.0376","","","0.0924","0.0955","","","","","","1.08","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312046","8.7513","0.0006","13.6366","0.0009","14.8639","0.001","72.021","0.001","73.22","0.001","80.756","0.001","1610.38","0.19","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 Mo N6 O4 -","- C30 H39 Cl2 Mo N6 O4 -","- C60 H78 Cl4 Mo2 N12 O8 -","2","1","","Justin T. Hoffman; Simon Einwaechter; Balwant S. Chohan; Partha Basu; Carl J. Carrano","Isomerization and Oxygen Atom Transfer Reactivity in Oxo-Mo Complexes of Relevance to Molybdoenzymes","Inorganic Chemistry","2004","43","","7573","7575","10.1021/ic048775m","","","0.71073","MoKα","","0.0852","0.0805","","","0.1935","0.1968","","","","","","1.112","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312047","19.94","0.01","13.286","0.006","17.739","0.006","90","","90.862","0.016","90","","4699","4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Co2 O16 P4 -","- C32 H72 Co2 O16 P4 -","- C128 H288 Co8 O64 P16 -","4","1","","Ramasamy Pothiraja; Malaichamy Sathiyendiran; Ray J. Butcher; Ramaswamy Murugavel","Cobalt and Manganese Nets via Their Wires: Facile Transformation in Metal-Diorganophosphates","Inorganic Chemistry","2004","43","","7585","7587","10.1021/ic048781i","","","0.71073","MoKα","","0.0899","0.0473","","","0.0992","0.1129","","","","","","0.999","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312048","15.846","0.003","11.452","0.002","23.008","0.005","90","","92.77","0.03","90","","4170.3","1.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H56 Co N4 O10 P2 -","- C36 H56 Co N4 O10 P2 -","- C144 H224 Co4 N16 O40 P8 -","4","1","","Ramasamy Pothiraja; Malaichamy Sathiyendiran; Ray J. Butcher; Ramaswamy Murugavel","Cobalt and Manganese Nets via Their Wires: Facile Transformation in Metal-Diorganophosphates","Inorganic Chemistry","2004","43","","7585","7587","10.1021/ic048781i","","","0.71073","MoKα","","0.1512","0.0954","","","0.2337","0.2597","","","","","","1.022","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312049","15.9627","0.0014","11.7157","0.0012","23.502","0.002","90","","92.783","0.008","90","","4390","0.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Mn(dtbp)2(44'-bpy)(H2O)2","","","- C36 H56 Mn N4 O10 P2 -","- C36 H56 Mn N4 O10 P2 -","- C144 H224 Mn4 N16 O40 P8 -","4","1","","Ramasamy Pothiraja; Malaichamy Sathiyendiran; Ray J. Butcher; Ramaswamy Murugavel","Cobalt and Manganese Nets via Their Wires: Facile Transformation in Metal-Diorganophosphates","Inorganic Chemistry","2004","43","","7585","7587","10.1021/ic048781i","","","0.71073","MoKα","","0.0686","0.0455","","","0.1301","0.1369","","","","","","1.098","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312050","22.977","0.002","22.977","0.002","12.196","0.003","90","","90","","120","","5576.2","1.5","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H84 O12 P6 Se13 Zn4 -","- C36 O12 P6 Se13 Zn4 -","- C108 O36 P18 Se39 Zn12 -","3","0.166667","","Bidyut Kumar Santra; Chiu-Mine Hung; Ben-Jie Liaw; Ju-Chun Wang; C. W. Liu","The First, Discrete Zn4 Tetrahedron with a Selenium Atom in the Center: X-ray Structure and Solution Study of [Zn4(μ4-Se){Se2P(OPr)2}6]","Inorganic Chemistry","2004","43","","7570","7572","10.1021/ic048791j","","","0.71073","MoKα","","0.1012","0.0598","","","0.1714","0.1996","","","","","","1.079","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312051","9.581","0.0009","10.2213","0.0009","11.6178","0.0011","104.589","0.002","113.628","0.002","102.727","0.002","940.2","0.15","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Cl2 N8 Re2 -","- C36 H44 Cl2 N8 Re2 -","- C36 H44 Cl2 N8 Re2 -","1","0.5","","Michael Q. Dequeant; Patricia M. Bradley; Guo-Lin Xu; Daniel A. Lutterman; Claudia Turro; Tong Ren","Dirhenium Paddlewheel Compounds Supported by N,N'-Dialkylbenzamidinates: Synthesis, Structures, and Photophysical Properties","Inorganic Chemistry","2004","43","","7887","7892","10.1021/ic0487981","","","0.71073","MoKα","","0.0708","0.0639","","","0.1596","0.1619","","","","","","1","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312052","14.4466","0.0008","14.4466","0.0008","12.0711","0.0009","90","","90","","90","","2519.3","0.3","300","2","300","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C44 H68 Cl2 N8 O4 Re2 -","- C44 H60 Cl2 N8 O4 Re2 -","- C88 H120 Cl4 N16 O8 Re4 -","2","0.125","","Michael Q. Dequeant; Patricia M. Bradley; Guo-Lin Xu; Daniel A. Lutterman; Claudia Turro; Tong Ren","Dirhenium Paddlewheel Compounds Supported by N,N'-Dialkylbenzamidinates: Synthesis, Structures, and Photophysical Properties","Inorganic Chemistry","2004","43","","7887","7892","10.1021/ic0487981","","","0.71073","MoKα","","0.0386","0.0304","","","0.0858","0.0903","","","","","","1.053","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312053","12.339","0.0009","21.0758","0.0015","15.4168","0.0011","90","","90","","90","","4009.2","0.5","300","2","300","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H44 N10 O6 Re2 -","- C36 H44 N10 O6 Re2 -","- C144 H176 N40 O24 Re8 -","4","0.5","","Michael Q. Dequeant; Patricia M. Bradley; Guo-Lin Xu; Daniel A. Lutterman; Claudia Turro; Tong Ren","Dirhenium Paddlewheel Compounds Supported by N,N'-Dialkylbenzamidinates: Synthesis, Structures, and Photophysical Properties","Inorganic Chemistry","2004","43","","7887","7892","10.1021/ic0487981","","","0.71073","MoKα","","0.0588","0.0291","","","0.0604","0.0656","","","","","","1.02","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312054","10.4153","0.0012","19.789","0.002","15.8871","0.0019","90","","105.369","0.002","90","","3157.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl Ge N2 -","- C36 H40 Cl Ge N2 -","- C144 H160 Cl4 Ge4 N8 -","4","1","","Igor L. Fedushkin; Natalie M. Khvoinova; Andrey Yu. Baurin; Georgii K. Fukin; Vladimir K. Cherkasov; Mikhail P. Bubnov","Divalent Germanium Compound with a Radical-Anionic Ligand: Molecular Structures of (dpp-BIAN).-GeCl and Its Hydrochloration Products [(dpp-BIAN)(H)2].+[GeCl3]- and [{(dpp-BIAN)(H)2.+}2(Cl-)]+[GeCl3]- (dpp-BIAN = 1,2-Bis{(2,6-diisopropylphenyl)imino}acenaphthene)","Inorganic Chemistry","2004","43","","7807","7815","10.1021/ic048801g","","","0.71073","MoKα","","0.0543","0.0416","","","0.1074","0.1124","","","","","","1.06","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312055","11.131","0.003","13.696","0.002","22.431","0.005","90","","90","","90","","3419.6","1.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 Cl3 Ge N2 -","- C36 H42 Cl3 Ge N2 -","- C144 H168 Cl12 Ge4 N8 -","4","1","","Igor L. Fedushkin; Natalie M. Khvoinova; Andrey Yu. Baurin; Georgii K. Fukin; Vladimir K. Cherkasov; Mikhail P. Bubnov","Divalent Germanium Compound with a Radical-Anionic Ligand: Molecular Structures of (dpp-BIAN).-GeCl and Its Hydrochloration Products [(dpp-BIAN)(H)2].+[GeCl3]- and [{(dpp-BIAN)(H)2.+}2(Cl-)]+[GeCl3]- (dpp-BIAN = 1,2-Bis{(2,6-diisopropylphenyl)imino}acenaphthene)","Inorganic Chemistry","2004","43","","7807","7815","10.1021/ic048801g","","","0.71073","MoKα","","0.0392","0.0321","","","0.0694","0.0722","","","","","","0.948","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312056","21.3305","0.0012","15.6716","0.0009","24.0119","0.0013","90","","99.03","0.001","90","","7927.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87 H99 Cl4 Ge N4 -","- C87 H99 Cl4 Ge N4 -","- C348 H396 Cl16 Ge4 N16 -","4","1","","Igor L. Fedushkin; Natalie M. Khvoinova; Andrey Yu. Baurin; Georgii K. Fukin; Vladimir K. Cherkasov; Mikhail P. Bubnov","Divalent Germanium Compound with a Radical-Anionic Ligand: Molecular Structures of (dpp-BIAN).-GeCl and Its Hydrochloration Products [(dpp-BIAN)(H)2].+[GeCl3]- and [{(dpp-BIAN)(H)2.+}2(Cl-)]+[GeCl3]- (dpp-BIAN = 1,2-Bis{(2,6-diisopropylphenyl)imino}acenaphthene)","Inorganic Chemistry","2004","43","","7807","7815","10.1021/ic048801g","","","0.71073","MoKα","","0.0628","0.0441","","","0.1067","0.1134","","","","","","1.02","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312057","16.8","0.02","20.748","0.006","19.343","0.008","90","","114.76","0.04","90","","6122","8","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H33 Cl4 Ga N2 P -","- C26 H33 Cl4 Ga N2 P -","- C208 H264 Cl32 Ga8 N16 P8 -","8","2","","Bobby D. Ellis; Paul J. Ragogna; Charles L. B. Macdonald","Computational Insights into the Acceptor Chemistry of Phosphenium Cations","Inorganic Chemistry","2004","43","","7857","7867","10.1021/ic0488738","","","1.5418","CuKα","","0.3244","0.0745","","","0.2086","0.2798","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312058","21.5284","0.0017","17.046","0.002","22.928","0.002","90","","90","","90","","8414","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H38 Cu2 N10 Na2 O9 -","- C40 H38 Cu2 N10 Na2 O9 -","- C320 H304 Cu16 N80 Na16 O72 -","8","1","","Jean-Pierre Costes; Ghenadie Novitchi; Sergiu Shova; Françoise Dahan; Bruno Donnadieu; Jean-Pierre Tuchagues","Synthesis, Structure, and Magnetic Properties of Heterometallic Dicyanamide-Bridged Cu-Na and Cu-Gd One-Dimensional Polymers","Inorganic Chemistry","2004","43","","7792","7799","10.1021/ic048942i","","","0.71073","MoKα","","0.0751","0.0301","","","0.0678","0.0808","","","","","","0.924","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312059","9.1546","0.0018","13.015","0.003","13.4","0.003","79.23","0.03","85.15","0.03","89.84","0.03","1562.7","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu Gd N9 O8 -","- C28 H30 Cu Gd N9 O8 -","- C56 H60 Cu2 Gd2 N18 O16 -","2","1","","Jean-Pierre Costes; Ghenadie Novitchi; Sergiu Shova; Françoise Dahan; Bruno Donnadieu; Jean-Pierre Tuchagues","Synthesis, Structure, and Magnetic Properties of Heterometallic Dicyanamide-Bridged Cu-Na and Cu-Gd One-Dimensional Polymers","Inorganic Chemistry","2004","43","","7792","7799","10.1021/ic048942i","","","0.71073","MoKα","","0.0412","0.0392","","","0.1031","0.1055","","","","","","1.042","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312060","9.522","0.005","15.774","0.005","20.347","0.005","90","0.005","93.503","0.005","90","0.005","3050","2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cu Gd N5 O14 -","- C24 H30 Cu Gd N5 O14 -","- C96 H120 Cu4 Gd4 N20 O56 -","4","1","","Jean-Pierre Costes; Ghenadie Novitchi; Sergiu Shova; Françoise Dahan; Bruno Donnadieu; Jean-Pierre Tuchagues","Synthesis, Structure, and Magnetic Properties of Heterometallic Dicyanamide-Bridged Cu-Na and Cu-Gd One-Dimensional Polymers","Inorganic Chemistry","2004","43","","7792","7799","10.1021/ic048942i","","","0.71073","MoKα","","0.0293","0.0265","","","0.0692","0.0744","","","","","","1.072","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312061","12.3328","0.0009","10.2011","0.0008","22.653","0.002","90","","104.056","0.002","90","","2764.6","0.4","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H80 Co2 Cu2 N12 Ni O16 S4 -","- C36 H80 Co2 Cu2 N12 Ni O16 S4 -","- C72 H160 Co4 Cu4 N24 Ni2 O32 S8 -","2","0.5","","Dmytro S. Nesterov; Valeriya G. Makhankova; Olga Yu. Vassilyeva; Vladimir N. Kokozay; Larisa A. Kovbasyuk; Brian W. Skelton; Julia Jezierska","Assembling Novel Heterotrimetallic Cu/Co/Ni and Cu/Co/Cd Cores Supported by Diethanolamine Ligand in One-Pot Reactions of Zerovalent Copper with Metal Salts","Inorganic Chemistry","2004","43","","7868","7876","10.1021/ic048955w","","","0.71073","MoKα","","0.074","0.044","","0.059","","0.052","","","1.045","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312062","12.723","0.003","10.387","0.002","23.011","0.005","90","","105.769","0.004","90","","2926.5","1.1","296","","296","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H84 Br2 Co2 Cu2 N10 Ni O18 S2 -","- C34 H78 Br2 Co2 Cu2 N10 Ni O17.738 S2 -","- C68 H156 Br4 Co4 Cu4 N20 Ni2 O35.476 S4 -","2","0.5","","Dmytro S. Nesterov; Valeriya G. Makhankova; Olga Yu. Vassilyeva; Vladimir N. Kokozay; Larisa A. Kovbasyuk; Brian W. Skelton; Julia Jezierska","Assembling Novel Heterotrimetallic Cu/Co/Ni and Cu/Co/Cd Cores Supported by Diethanolamine Ligand in One-Pot Reactions of Zerovalent Copper with Metal Salts","Inorganic Chemistry","2004","43","","7868","7876","10.1021/ic048955w","","","0.71073","MoKα","","0.123","0.065","","0.095","","0.082","","","1.097","","","1.256","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312063","17.709","0.002","11.055","0.001","15.941","0.002","90","","90","","90","","3120.8","0.6","150","2","150","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C18 H44 Br2 Cd Co Cu N5 O9 S -","- C18 H43 Br2 Cd Co Cu N5 O9 S -","- C72 H172 Br8 Cd4 Co4 Cu4 N20 O36 S4 -","4","1","","Dmytro S. Nesterov; Valeriya G. Makhankova; Olga Yu. Vassilyeva; Vladimir N. Kokozay; Larisa A. Kovbasyuk; Brian W. Skelton; Julia Jezierska","Assembling Novel Heterotrimetallic Cu/Co/Ni and Cu/Co/Cd Cores Supported by Diethanolamine Ligand in One-Pot Reactions of Zerovalent Copper with Metal Salts","Inorganic Chemistry","2004","43","","7868","7876","10.1021/ic048955w","","","0.71073","MoKα","","0.066","0.05","","0.087","","0.072","","","1.275","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312064","15.6304","0.0005","15.9486","0.0005","20.9085","0.0006","100.382","0.001","98.357","0.001","117.666","0.001","4380.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H82 O6 Rh3 Sn6 -","- C99 H82 O6 Rh3 Sn6 -","- C198 H164 O12 Rh6 Sn12 -","2","1","","Richard D. Adams; Burjor Captain; Jack L. Smith; Michael B. Hall; Chad L. Beddie; Charles Edwin Webster","Superloading of Tin Ligands into Rhodium and Iridium Carbonyl Cluster Complexes","Inorganic Chemistry","2004","43","","7576","7578","10.1021/ic0489589","","","0.71073","MoKα","","0.1073","0.0557","","","0.0909","0.1094","","","","","","0.971","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312065","15.618","0.005","15.932","0.006","21","0.007","100.506","0.008","98.387","0.008","117.178","0.007","4411","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H79 Ir3 O6.5 Sn6 -","- C98 H79 Ir3 O6.5 Sn6 -","- C196 H158 Ir6 O13 Sn12 -","2","1","","Richard D. Adams; Burjor Captain; Jack L. Smith; Michael B. Hall; Chad L. Beddie; Charles Edwin Webster","Superloading of Tin Ligands into Rhodium and Iridium Carbonyl Cluster Complexes","Inorganic Chemistry","2004","43","","7576","7578","10.1021/ic0489589","","","0.71073","MoKα","","0.0559","0.0399","","","0.0856","0.0947","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312066","14.3214","0.0008","24.7842","0.0013","27.6995","0.0015","86.43","0.001","87.73","0.001","89.733","0.001","9805","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C106.5 H88.5 O3 Rh3 Sn8 -","- C106.5 H88.5 O3 Rh3 Sn8 -","- C426 H354 O12 Rh12 Sn32 -","4","2","","Richard D. Adams; Burjor Captain; Jack L. Smith; Michael B. Hall; Chad L. Beddie; Charles Edwin Webster","Superloading of Tin Ligands into Rhodium and Iridium Carbonyl Cluster Complexes","Inorganic Chemistry","2004","43","","7576","7578","10.1021/ic0489589","","","0.71073","MoKα","","0.1498","0.0894","","","0.2231","0.2573","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312067","20.3117","0.0003","17.8243","0.0003","18.3675","0.0003","104.487","0.001","115.984","0.001","92.985","0.001","5686.82","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H126 Cl4 N24 Ni8 O52.5 -","- C66 H84 Cl4 N24 Ni8 O52.5 -","- C132 H168 Cl8 N48 Ni16 O105 -","2","1","","Emilio Pardo; Isidoro Morales-Osorio; Miguel Julve; Francesc Lloret; Joan Cano; Rafael Ruiz-García; Jorge Pasán; Catalina Ruiz-Pérez; Xavier Ottenwaelder; Yves Journaux","Magnetic Anisotropy of a High-Spin Octanuclear Nickel(II) Complex with a meso-Helicate Core","Inorganic Chemistry","2004","43","","7594","7596","10.1021/ic048965x","","","0.71073","MoKα","","0.118","0.0866","","","0.2346","0.2733","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312068","8.7389","0.0008","19.9489","0.0018","13.3483","0.0012","90","","90.941","0.002","90","","2326.7","0.4","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Cl Mo O4 -","- C24 H27 Cl Mo O4 -","- C96 H108 Cl4 Mo4 O16 -","4","1","","Tracy A. Hanna; Amit K. Ghosh; Catalina Ibarra; Lev N. Zakharov; Arnold L. Rheingold; William H. Watson","Facile Formation of Molybdenum(VI) Monooxo Aryloxides MoO(OAr)4-nCln from Molybdenum Dioxo Dichloride","Inorganic Chemistry","2004","43","","7567","7569","10.1021/ic048976q","","","0.71073","MoKα","","0.077","0.0401","","","0.0603","0.0667","","","","","","0.817","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312069","16.377","0.003","7.6484","0.0012","15.941","0.003","90","","118.009","0.002","90","","1762.9","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl2 Mo O3 -","- C16 H18 Cl2 Mo O3 -","- C64 H72 Cl8 Mo4 O12 -","4","1","","Tracy A. Hanna; Amit K. Ghosh; Catalina Ibarra; Lev N. Zakharov; Arnold L. Rheingold; William H. Watson","Facile Formation of Molybdenum(VI) Monooxo Aryloxides MoO(OAr)4-nCln from Molybdenum Dioxo Dichloride","Inorganic Chemistry","2004","43","","7567","7569","10.1021/ic048976q","","","0.71073","MoKα","","0.1064","0.1032","","","0.2957","0.297","","","","","","1.329","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312070","14.178","0.002","14.178","0.002","23.734","0.005","90","","90","","90","","4770.9","1.4","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C55 H50 N9 O2 Ru2 -","- C56 H44 N9 O3 Ru2 -","- C224 H176 N36 O12 Ru8 -","4","0.25","","Baocheng Han; Jianguo Shao; Zhongping Ou; Tuan D. Phan; Jing Shen; John L. Bear; Karl M. Kadish","Synthesis and Characterization of Nitrosyl Diruthenium Complexes. Interaction between NO and CO across the Metal-Metal Bond","Inorganic Chemistry","2004","43","","7741","7751","10.1021/ic048983e","","","0.71073","MoKα","","0.0725","0.0428","","0.1104","0.0833","","","","1.369","1.287","1.287","","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312071","12.1854","0.0019","18.997","0.003","20.24","0.003","90","","101.197","0.003","90","","4596.1","1.2","219","2","219","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 N10 O2 Ru2 -","- C52 H44 N10 O2 Ru2 -","- C208 H176 N40 O8 Ru8 -","4","1","","Baocheng Han; Jianguo Shao; Zhongping Ou; Tuan D. Phan; Jing Shen; John L. Bear; Karl M. Kadish","Synthesis and Characterization of Nitrosyl Diruthenium Complexes. Interaction between NO and CO across the Metal-Metal Bond","Inorganic Chemistry","2004","43","","7741","7751","10.1021/ic048983e","","","0.71073","MoKα","","0.2863","0.069","","","0.0589","0.0903","","","","","","0.762","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312072","9.5923","0.0005","32.8173","0.0016","9.0928","0.0005","90","","90","","90","","2862.4","0.3","297","2","297","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H24 Cr N7 O13.5 -","- C24 H24 Cr N7 O13.5 -","- C96 H96 Cr4 N28 O54 -","4","1","","Colin L. Weeks; Aviva Levina; Carolyn T. Dillon; Peter Turner; Ronald R. Fenton; Peter A. Lay","Synthesis and Characterization of a Chromium(V) cis-Dioxo Bis(1,10-phenanthroline) Complex and Crystal and Molecular Structures of Its Chromium(III) Precursor","Inorganic Chemistry","2004","43","","7844","7856","10.1021/ic049008q","","","0.71073","MoKα","","0.0452","0.0364","","","0.0897","0.0953","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312073","14.8708","0.0007","9.9638","0.0004","17.9492","0.0009","90","","92.2701","0.0008","90","","2657.4","0.2","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl N3 Ni O2 -","- C27 H36 Cl N3 Ni O2 -","- C108 H144 Cl4 N12 Ni4 O8 -","4","1","","Yuichi Shimazaki; Stefan Huth; Satoru Karasawa; Shun Hirota; Yoshinori Naruta; Osamu Yamauchi","Nickel(II)-Phenoxyl Radical Complexes: Structure-Radical Stability Relationship","Inorganic Chemistry","2004","43","","7816","7822","10.1021/ic049040k","","","0.7107","MoKα","","","0.0613","","","","0.1401","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312074","10.475","0.004","18.482","0.006","13.785","0.006","90","","100.06","0.01","90","","2627.7","1.7","133.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H36 Cl N3 Ni O -","- C28 H36 Cl N3 Ni O -","- C112 H144 Cl4 N12 Ni4 O4 -","4","1","","Yuichi Shimazaki; Stefan Huth; Satoru Karasawa; Shun Hirota; Yoshinori Naruta; Osamu Yamauchi","Nickel(II)-Phenoxyl Radical Complexes: Structure-Radical Stability Relationship","Inorganic Chemistry","2004","43","","7816","7822","10.1021/ic049040k","","","0.7107","MoKα","","","0.0513","","","","0.0645","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312075","10.7377","0.0003","15.1861","0.0003","35.4669","0.0009","90","","90","","90","","5783.4","0.2","296.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl N3 Ni O -","- C29 H38 Cl N3 Ni O -","- C232 H304 Cl8 N24 Ni8 O8 -","8","1","","Yuichi Shimazaki; Stefan Huth; Satoru Karasawa; Shun Hirota; Yoshinori Naruta; Osamu Yamauchi","Nickel(II)-Phenoxyl Radical Complexes: Structure-Radical Stability Relationship","Inorganic Chemistry","2004","43","","7816","7822","10.1021/ic049040k","","","0.7107","MoKα","","","0.0595","","","","0.1507","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312076","11.389","0.001","11.623","0.001","14.291","0.001","101.409","0.004","101.971","0.005","118.379","0.004","1528.6","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 N3 O3 P3 S3 -","- C27 H30 N3 O3 P3 S3 -","- C54 H60 N6 O6 P6 S6 -","2","1","","June-Ho Jung; Srinagesh K. Potluri; Hongming Zhang; Patty Wisian-Neilson","Synthesis and Structure of Nongeminally Substituted Cyclic Phosphazenes with Haloalkyl and Thioester Functional Groups","Inorganic Chemistry","2004","43","","7784","7791","10.1021/ic049063z","","","0.71073","MoKα","","0.043","0.035","","","0.096","0.099","","","","","","1.046","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312077","12.278","0.001","9.287","0.001","21.823","0.002","90","","104.413","0.006","90","","2410.1","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H21 Cl3 N3 P3 -","- C21 H21 Cl3 N3 P3 -","- C84 H84 Cl12 N12 P12 -","4","1","","June-Ho Jung; Srinagesh K. Potluri; Hongming Zhang; Patty Wisian-Neilson","Synthesis and Structure of Nongeminally Substituted Cyclic Phosphazenes with Haloalkyl and Thioester Functional Groups","Inorganic Chemistry","2004","43","","7784","7791","10.1021/ic049063z","","","0.71073","MoKα","","0.053","0.038","","","0.1","0.106","","","","","","1.03","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312078","16.4817","0.0009","15.4102","0.0009","20.998","0.0013","90","","96.699","0.005","90","","5296.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H22 Br3 Cl N3 P3 -","- C21.5 H22 Br3 Cl N3 P3 -","- C172 H176 Br24 Cl8 N24 P24 -","8","1","","June-Ho Jung; Srinagesh K. Potluri; Hongming Zhang; Patty Wisian-Neilson","Synthesis and Structure of Nongeminally Substituted Cyclic Phosphazenes with Haloalkyl and Thioester Functional Groups","Inorganic Chemistry","2004","43","","7784","7791","10.1021/ic049063z","","","0.71073","MoKα","","0.121","0.057","","","0.138","0.156","","","","","","0.98","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312079","8.9013","0.0005","11.3382","0.0007","14.5494","0.001","74.881","0.005","73.207","0.005","71.698","0.004","1311.08","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 I3 N3 P3 -","- C21 H21 I3 N3 P3 -","- C42 H42 I6 N6 P6 -","2","1","","June-Ho Jung; Srinagesh K. Potluri; Hongming Zhang; Patty Wisian-Neilson","Synthesis and Structure of Nongeminally Substituted Cyclic Phosphazenes with Haloalkyl and Thioester Functional Groups","Inorganic Chemistry","2004","43","","7784","7791","10.1021/ic049063z","","","0.71073","MoKα","","0.035","0.032","","","0.086","0.087","","","","","","1.1","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312080","8.867","0.001","12.671","0.001","20.352","0.002","90","","92.183","0.009","90","","2285","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br N3 P3 -","- C21 H23 Br N3 P3 -","- C84 H92 Br4 N12 P12 -","4","1","","June-Ho Jung; Srinagesh K. Potluri; Hongming Zhang; Patty Wisian-Neilson","Synthesis and Structure of Nongeminally Substituted Cyclic Phosphazenes with Haloalkyl and Thioester Functional Groups","Inorganic Chemistry","2004","43","","7784","7791","10.1021/ic049063z","","","0.71073","MoKα","","0.164","0.074","","","0.186","0.216","","","","","","0.96","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312081","10.9206","0.0006","12.6846","0.0009","17.7519","0.0016","90","","105.31","0.007","90","","2371.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br2 N3 P3 -","- C21 H22 Br2 N3 P3 -","- C84 H88 Br8 N12 P12 -","4","1","","June-Ho Jung; Srinagesh K. Potluri; Hongming Zhang; Patty Wisian-Neilson","Synthesis and Structure of Nongeminally Substituted Cyclic Phosphazenes with Haloalkyl and Thioester Functional Groups","Inorganic Chemistry","2004","43","","7784","7791","10.1021/ic049063z","","","0.71073","MoKα","","0.1","0.05","","","0.113","0.126","","","","","","1.01","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312082","21.7876","0.0009","25.7171","0.001","33.3343","0.0013","90","","100.73","0.001","90","","18351.1","1.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42.68 H64.72 Br Li N4 O9.64 -","- C42.68 H61.36 Br Li N4 O9.64 -","- C682.88 H981.76 Br16 Li16 N64 O154.24 -","16","4","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Solid-Liquid Extraction of Lithium Halide Salts Using a Ditopic Macrobicyclic Receptor","Inorganic Chemistry","2004","43","","7617","7621","10.1021/ic049066b","","","0.71073","MoKα","","0.0953","0.067","","","0.1783","0.2","","","","","","1.033","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312083","10.9083","0.0007","12.6401","0.0008","33.139","0.002","90","","96.319","0.002","90","","4541.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 Cl Li N4 O10 -","- C44 H64 Cl Li N4 O10 -","- C176 H256 Cl4 Li4 N16 O40 -","4","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Solid-Liquid Extraction of Lithium Halide Salts Using a Ditopic Macrobicyclic Receptor","Inorganic Chemistry","2004","43","","7617","7621","10.1021/ic049066b","","","0.71073","MoKα","","0.1497","0.1246","","","0.3027","0.3211","","","","","","1.056","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312084","11.496","0.003","28.227","0.007","19.713","0.005","90","","94.416","0.005","90","","6378","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H90 Ge2 N10 O5 Si8 -","- C44 H90 Ge2 N10 O5 Si8 -","- C176 H360 Ge8 N40 O20 Si32 -","4","1","","Amy C. Gottfried; Jia Wang; Erin E. Wilson; Larry W. Beck; Mark M. Banaszak Holl; Jeff W. Kampf","Synthesis of a Digermane-Containing Tricylic Nonadecadienedione Incorporating an Equivalent of Ring-Opened THF","Inorganic Chemistry","2004","43","","7665","7670","10.1021/ic0491027","","","0.71073","MoKα","","0.0457","0.0301","","","0.0685","0.0745","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312085","8.508","0.003","9.681","0.002","14.066","0.004","90.97","0.02","91.61","0.03","90.83","0.02","1157.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 I4 N3 Ni S2 -","- C12 H22 I4 N3 Ni S2 -","- C24 H44 I8 N6 Ni2 S4 -","2","1","","Balwant S. Chohan; Steven C. Shoner; Julie A. Kovacs; Michael J. Maroney","Ligand Oxidations in High-Spin Nickel Thiolate Complexes and Zinc Analogues","Inorganic Chemistry","2004","43","","7726","7734","10.1021/ic049110n","","","0.71073","MoKα","","0.0996","0.0631","","","0.1663","0.1963","","","","","","1.031","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312086","13.626","0.003","7.605","0.005","14.902","0.004","90","","102.81","0.02","90","","1505.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N3 Ni O2 S2 -","- C12 H19 N3 Ni O2 S2 -","- C48 H76 N12 Ni4 O8 S8 -","4","1","","Balwant S. Chohan; Steven C. Shoner; Julie A. Kovacs; Michael J. Maroney","Ligand Oxidations in High-Spin Nickel Thiolate Complexes and Zinc Analogues","Inorganic Chemistry","2004","43","","7726","7734","10.1021/ic049110n","","","0.71073","MoKα","","0.1072","0.0718","","0.1982","0.1786","","","","1.501","1.619","1.619","","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312087","13.8465","0.0004","7.6453","0.0002","15.0165","0.0006","90","","103.214","0.0011","90","","1547.57","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N3 O2 S2 Zn -","- C12 H19 N3 O2 S2 Zn -","- C48 H76 N12 O8 S8 Zn4 -","4","1","","Balwant S. Chohan; Steven C. Shoner; Julie A. Kovacs; Michael J. Maroney","Ligand Oxidations in High-Spin Nickel Thiolate Complexes and Zinc Analogues","Inorganic Chemistry","2004","43","","7726","7734","10.1021/ic049110n","","","0.71073","MoKα","","0.0541","0.0396","","","0.0945","0.1013","","","","","","1.06","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312088","27.7","0.003","27.7","0.003","9.143","0.002","90","","90","","120","","6075.5","1.6","293","2","293","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C23 H29 Cl3 Mo N4 O3 -","- C23 H34 Cl3 Mo N4 O3 -","- C207 H306 Cl27 Mo9 N36 O27 -","9","0.5","","Brian S. Hammes; Bal S. Chohan; Justin T. Hoffman; Simon Einwächter; Carl J. Carrano","A Family of Dioxo-Molybdenum(VI) Complexes of N2X Heteroscorpionate Ligands of Relevance to Molybdoenzymes","Inorganic Chemistry","2004","43","","7800","7806","10.1021/ic049130p","","","0.71073","MoKα","","0.061","0.0503","","0.1377","0.1266","","","","0.988","0.99","0.99","","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312089","8.0279","0.001","9.7544","0.0012","10.4445","0.0013","76.584","0.002","67.67","0.002","87.748","0.002","734.82","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cl Mo N4 O4 -","- C12 H15 Cl Mo N4 O4 -","- C24 H30 Cl2 Mo2 N8 O8 -","2","1","","Brian S. Hammes; Bal S. Chohan; Justin T. Hoffman; Simon Einwächter; Carl J. Carrano","A Family of Dioxo-Molybdenum(VI) Complexes of N2X Heteroscorpionate Ligands of Relevance to Molybdoenzymes","Inorganic Chemistry","2004","43","","7800","7806","10.1021/ic049130p","","","0.71073","MoKα","","0.0944","0.0892","","","0.2211","0.2254","","","","","","0.997","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312090","13.397","0.003","15.147","0.004","8.658","0.002","90","","90","","90","","1756.9","0.7","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H21 Cl Mo N4 O2 S -","- C14 H21 Cl Mo N4 O2 S -","- C56 H84 Cl4 Mo4 N16 O8 S4 -","4","0.5","","Brian S. Hammes; Bal S. Chohan; Justin T. Hoffman; Simon Einwächter; Carl J. Carrano","A Family of Dioxo-Molybdenum(VI) Complexes of N2X Heteroscorpionate Ligands of Relevance to Molybdoenzymes","Inorganic Chemistry","2004","43","","7800","7806","10.1021/ic049130p","","","0.71073","MoKα","","0.0668","0.0632","","0.1599","0.1534","","","","1.084","1.11","1.11","","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312091","7.8732","0.0013","11.539","0.002","16.266","0.003","90","","96.564","0.014","90","","1468.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl Mo N4 O4 -","- C12 H17 Cl Mo N4 O4 -","- C48 H68 Cl4 Mo4 N16 O16 -","4","1","","Brian S. Hammes; Bal S. Chohan; Justin T. Hoffman; Simon Einwächter; Carl J. Carrano","A Family of Dioxo-Molybdenum(VI) Complexes of N2X Heteroscorpionate Ligands of Relevance to Molybdoenzymes","Inorganic Chemistry","2004","43","","7800","7806","10.1021/ic049130p","","","0.71073","MoKα","","0.0508","0.0396","","0.1101","0.1009","","","","1.127","1.159","1.159","","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312092","13.2105","0.0019","13.4647","0.0019","13.5343","0.0019","90","","117.046","0.002","90","","2144.1","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(t-butylisocyanide)2Fe(OEPO)","","","- C46 H61 Fe N6 O -","- C46 H61 Fe N6 O -","- C92 H122 Fe2 N12 O2 -","2","0.5","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","Oxidative Verdoheme Formation and Stabilization by Axial Isocyanide Ligation","Inorganic Chemistry","2004","43","","7648","7655","10.1021/ic0491433","","","0.71073","MoKα","","0.0855","0.0662","","","0.1739","0.1977","","","","","","1.054","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312093","16.848","0.003","17.691","0.004","18.896","0.004","74.64","0.03","85.91","0.03","62.41","0.03","4805","2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[(t-butylisocyanide)2Fe(OEOP)].PF6","","","- C45 H61 F6 Fe N6 O P -","- C45 H61 F6 Fe N6 O P -","- C180 H244 F24 Fe4 N24 O4 P4 -","4","2","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","Oxidative Verdoheme Formation and Stabilization by Axial Isocyanide Ligation","Inorganic Chemistry","2004","43","","7648","7655","10.1021/ic0491433","","","0.71073","MoKα","","0.1924","0.0995","","","0.2483","0.3197","","","","","","0.987","","","","has coordinates,has disorder","179159","2020-10-21","18:00:00",""
"4312094","20.865","0.005","10.814","0.003","27.785","0.005","90","","126.53","0.012","90","","5038","2","90","2","90","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","[(2,6-xylylisocyanide)2Fe(OEOP)]PF6.0.15CHCl3","","","- C53.15 H61.15 Cl0.45 F6 Fe N O P -","- C53.15 H61.15 Cl0.45 F6 Fe N6 O P -","- C212.6 H244.6 Cl1.8 F24 Fe4 N24 O4 P4 -","4","1","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","Oxidative Verdoheme Formation and Stabilization by Axial Isocyanide Ligation","Inorganic Chemistry","2004","43","","7648","7655","10.1021/ic0491433","","","0.71073","MoKα","","0.1249","0.085","","","0.2041","0.2224","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312095","10.703","0.001","11.629","0.001","38.132","0.005","88.44","0.01","84.25","0.01","63.19","0.01","4213.8","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H80 As3 Cl8 N O8 Re2 -","- C84 H80 As3 Cl8 N O8 Re2 -","- C168 H160 As6 Cl16 N2 O16 Re4 -","2","1","","Alicia Cuevas; Raúl Chiozzone; Carlos Kremer; Leopoldo Suescun; Alvaro Mombrú; Donatella Armentano; Giovanni De Munno; Francesc Lloret; Juan Cano; Juan Faus","Rhenium(IV)-Copper(II) Heterobimetallic Complexes with a Bridge Malonato Ligand. Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2004","43","","7823","7831","10.1021/ic0493853","","","0.71073","MoKα","","0.1123","0.0568","","","0.1366","0.1746","","","","","","0.954","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4312096","9.737","0.005","20.344","0.002","18.954","0.003","90","","96.71","0.02","90","","3729","2","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 As Cl4 N O4 Re -","- C33 H38 As Cl4 N O4 Re -","- C132 H152 As4 Cl16 N4 O16 Re4 -","4","1","","Alicia Cuevas; Raúl Chiozzone; Carlos Kremer; Leopoldo Suescun; Alvaro Mombrú; Donatella Armentano; Giovanni De Munno; Francesc Lloret; Juan Cano; Juan Faus","Rhenium(IV)-Copper(II) Heterobimetallic Complexes with a Bridge Malonato Ligand. Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2004","43","","7823","7831","10.1021/ic0493853","","","0.71069","MoKα","","0.1575","0.0573","","","0.1513","0.1963","","","","","","0.979","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312097","10.1199","0.0013","17.8635","0.0014","9.5576","0.0009","98.56","0.007","115.97","0.008","96.18","0.009","1506.7","0.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H21 Cl4 Cu N5 O4 Re -","- C29 H21 Cl4 Cu N5 O4 Re -","- C58 H42 Cl8 Cu2 N10 O8 Re2 -","2","1","","Alicia Cuevas; Raúl Chiozzone; Carlos Kremer; Leopoldo Suescun; Alvaro Mombrú; Donatella Armentano; Giovanni De Munno; Francesc Lloret; Juan Cano; Juan Faus","Rhenium(IV)-Copper(II) Heterobimetallic Complexes with a Bridge Malonato Ligand. Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2004","43","","7823","7831","10.1021/ic0493853","","","0.71069","MoKα","","0.0704","0.0415","","","0.1075","0.1197","","","","","","1.039","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312098","10.866","0.003","15.559","0.005","15.995","0.002","90","","97.298","0.016","90","","2682.3","1.2","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Cl4 Cu N4 O4 Re -","- C23 H18 Cl4 Cu N4 O4 Re -","- C92 H72 Cl16 Cu4 N16 O16 Re4 -","4","1","","Alicia Cuevas; Raúl Chiozzone; Carlos Kremer; Leopoldo Suescun; Alvaro Mombrú; Donatella Armentano; Giovanni De Munno; Francesc Lloret; Juan Cano; Juan Faus","Rhenium(IV)-Copper(II) Heterobimetallic Complexes with a Bridge Malonato Ligand. Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2004","43","","7823","7831","10.1021/ic0493853","","","0.71069","MoKα","","0.1268","0.0626","","","0.1629","0.1847","","","","","","1.105","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312099","12.3827","0.0013","13.039","0.0014","13.2356","0.0014","100.929","0.002","112.815","0.002","111.913","0.002","1682.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu0.5 F12 K O8 -","- C28 H30 Cu0.5 F12 K O8 -","- C56 H60 Cu F24 K2 O16 -","2","1","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.1231","0.105","","","0.2885","0.3145","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312100","24.202","0.003","13.9911","0.0017","17.1697","0.0019","90","","114.678","0.002","90","","5282.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Co3 F24 O4 -","- C52 H32 Co3 F24 O4 -","- C208 H128 Co12 F96 O16 -","4","0.5","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.1371","0.0967","","","0.2937","0.3172","","","","","","1.099","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312101","19.7866","0.0013","14.2273","0.001","18.695","0.0013","90","","95.751","0.001","90","","5236.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 Cl2 Co F10 O2 P2 -","- C60 H40 Cl2 Co F10 O2 P2 -","- C240 H160 Cl8 Co4 F40 O8 P8 -","4","1","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.0795","0.0527","","","0.1386","0.1527","","","","","","1.033","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312102","23.3983","0.0013","12.7964","0.0006","24.007","0.0013","90","","109.109","0.002","90","","6792","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Co F24 K2 O16 -","- C56 H60 Co F23.94 K2 O16 -","- C224 H240 Co4 F95.76 K8 O64 -","4","0.5","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.0995","0.0836","","","0.2121","0.225","","","","","","1.026","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312103","12.006","0.0012","18.7195","0.0018","14.9767","0.0015","90","","108.055","0.002","90","","3200.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H40 Cu F20 O4 P2 -","- C72 H40 Cu F20 O4 P2 -","- C144 H80 Cu2 F40 O8 P4 -","2","0.5","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.106","0.052","","","0.0963","0.1143","","","","","","1.001","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312104","12.5488","0.0007","12.455","0.0007","14.0038","0.0008","90","","114.282","0.001","90","","1995.1","0.2","218","2","218","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu F20 N2 O4 -","- C36 H32 Cu F20 N2 O4 -","- C72 H64 Cu2 F40 N4 O8 -","2","0.5","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.0399","0.0347","","","0.0958","0.0997","","","","","","1.035","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312105","15.0601","0.0009","17.5377","0.0011","22.8468","0.0015","90","","90","","90","","6034.3","0.7","218","2","218","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H72 Cu F20 N2 O4 -","- C56 H62 Cu F20 N2 O4 -","- C224 H248 Cu4 F80 N8 O16 -","4","0.5","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.0763","0.0505","","","0.1509","0.1722","","","","","","1.03","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312106","22.0161","0.001","16.0513","0.0007","19.1081","0.0009","90","","101.73","0.001","90","","6611.5","0.5","218","2","218","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Co F20 K2 O18 -","- C56 H56 Co F20 K2 O18 -","- C224 H224 Co4 F80 K8 O72 -","4","0.5","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.0821","0.0635","","","0.1601","0.1721","","","","","","1.054","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312107","15.205","0.005","21.23","0.008","20.04","0.007","90","","91.224","0.007","90","","6467","4","218","2","218","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H80 Cl2 Cu2 K2 O18 -","- C60 H78 Cu2 K2 O18 -","- C240 H312 Cu8 K8 O72 -","4","1","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.0682","0.0498","","","0.1295","0.1383","","","","","","1.028","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312108","13.487","0.004","15.672","0.004","16.844","0.004","90","","105.97","0.006","90","","3422.9","1.6","218","2","218","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H82 Cl4 Co2 K2 O18 -","- C62 H82 Cl4 Co2 K2 O18 -","- C124 H164 Cl8 Co4 K4 O36 -","2","0.5","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.1042","0.068","","","0.1509","0.1664","","","","","","1.104","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312109","21.308","0.005","17.396","0.003","23.274","0.011","90","","97.47","0.02","90","","8554","5","173","2","173","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C32 H88 Cl4 N32 Ni4 O8 Pt2 S8 -","- C32 H82 Cl4 N32 Ni4 O8.02 Pt2 S8 -","- C128 H328 Cl16 N128 Ni16 O32.08 Pt8 S32 -","4","0.5","","Pilar Diaz; D. Michael P. Mingos; Ramón Vilar; Andrew J. P. White; David J. Williams","Anion-Templated Synthesis of Metallacages as a Means for the Colorimetric Detection of Chlorides","Inorganic Chemistry","2004","43","","7597","7604","10.1021/ic049508j","","","0.71073","MoKα","","0.114","0.064","","0.4504","0.1466","","","","1.061","1.148","1.148","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312110","14.1579","0.001","14.7107","0.0009","16.1177","0.0007","90","","90","","90","","3356.9","0.3","173","2","173","2","","","","","","","synthesis as described","5","A b a 2","A 2 -2ab","41","","","","- C15 H26 Cl Cu N6 -","- C15 H26 Cl Cu N6 -","- C120 H208 Cl8 Cu8 N48 -","8","","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.71073","MoKα","","0.0626","0.0391","","","0.0785","0.0859","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312111","9.4021","0.0003","8.2761","0.0003","12.2393","0.0004","90","","108.886","0.002","90","","901.1","0.05","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C15 H26 Cl2 Fe N6 -","- C15 H26 Cl2 Fe N6 -","- C30 H52 Cl4 Fe2 N12 -","2","1","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.71073","MoKα","","0.0262","0.0238","","","0.066","0.0693","","","","","","0.628","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312112","31.7631","0.0007","16.6091","0.0004","6.8574","0.0001","90","","90","","90","","3617.67","0.13","173","2","173","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C14 H26 Cl2 Fe N6 -","- C14 H26 Cl2 Fe N6 -","- C112 H208 Cl16 Fe8 N48 -","8","0.5","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.71073","MoKα","","0.0218","0.0204","","","0.0492","0.0498","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312113","10.8148","0.0002","11.7393","0.0002","14.0895","0.0003","90","","90","","90","","1788.78","0.06","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl2 N6 Pd -","- C15 H26 Cl2 N6 Pd -","- C60 H104 Cl8 N24 Pd4 -","4","1","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.71073","MoKα","","0.0201","0.0192","","","0.0465","0.0469","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312114","7.9773","0.0002","8.8734","0.0003","12.3324","0.0003","90","","99.899","0.002","90","","859.96","0.04","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","[PdCl2(hppH)2] monoclinic","","","- C14 H26 Cl2 N6 Pd -","- C14 H26 Cl2 N6 Pd -","- C28 H52 Cl4 N12 Pd2 -","2","0.5","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.7107","MoKα","","0.0237","0.0207","","","0.0515","0.0533","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312115","9.3182","0.0005","12.1779","0.0004","15.3485","0.0009","90","","90","","90","","1741.69","0.15","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","[PdCl2(hppH)2] orthorhombic","","","- C14 H26 Cl2 N6 Pd -","- C14 H26 Cl2 N6 Pd -","- C56 H104 Cl8 N24 Pd4 -","4","1","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.7107","MoKα","","0.0273","0.0253","","","0.0623","0.0639","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312116","7.457","0.0009","10.7509","0.0012","16.7389","0.0019","90","","90","","90","","1341.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","fac-[tricarbonyl(ethylendiamine-N-acetato-N'-aceticacid)rhenium(I)] monohydrate Isomer A","","- C9 H13 N2 O8 Re -","- C9 H13 N2 O8 Re -","- C36 H52 N8 O32 Re4 -","4","1","","Malgorzata Lipowska; Renzo Cini; Gabriella Tamasi; Xiaolong Xu; Andrew T. Taylor; Luigi G. Marzilli","Complexes Having the fac-{M(CO)3}+ Core (M = Tc, Re) Useful in Radiopharmaceuticals: X-ray and NMR Structural Characterization and Density Functional Calculations of Species Containing Two sp3 N Donors and One sp3 O Donor","Inorganic Chemistry","2004","43","","7774","7783","10.1021/ic049544i","","","0.71073","MoKα","","0.0216","0.0211","","","0.0509","0.051","","","","","","1.048","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312117","8.4263","0.0009","10.7633","0.0011","13.0962","0.0014","90","","98.101","0.002","90","","1175.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","fac-[tricarbonyl(ethylendiamine-N-acetato-N'-aceticacid)rhenium(I)] Isomer B","","- C9 H11 N2 O7 Re -","- C9 H11 N2 O7 Re -","- C36 H44 N8 O28 Re4 -","4","1","","Malgorzata Lipowska; Renzo Cini; Gabriella Tamasi; Xiaolong Xu; Andrew T. Taylor; Luigi G. Marzilli","Complexes Having the fac-{M(CO)3}+ Core (M = Tc, Re) Useful in Radiopharmaceuticals: X-ray and NMR Structural Characterization and Density Functional Calculations of Species Containing Two sp3 N Donors and One sp3 O Donor","Inorganic Chemistry","2004","43","","7774","7783","10.1021/ic049544i","","","0.71073","MoKα","","0.0283","0.0262","","","0.0654","0.0664","","","","","","1.071","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312118","7.077","0.0002","19.0905","0.0005","8.2382","0.0002","90","","90.608","0.001","90","","1112.95","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","fac-[tricarbonyl(ethylendiamine-N-acetato)rhenium(I)] monohydrate","","- C7 H11 N2 O6 Re -","- C7 H11 N2 O6 Re -","- C28 H44 N8 O24 Re4 -","4","1","","Malgorzata Lipowska; Renzo Cini; Gabriella Tamasi; Xiaolong Xu; Andrew T. Taylor; Luigi G. Marzilli","Complexes Having the fac-{M(CO)3}+ Core (M = Tc, Re) Useful in Radiopharmaceuticals: X-ray and NMR Structural Characterization and Density Functional Calculations of Species Containing Two sp3 N Donors and One sp3 O Donor","Inorganic Chemistry","2004","43","","7774","7783","10.1021/ic049544i","","","1.54178","CuKα","","0.0336","0.0309","","","0.0821","0.0837","","","","","","1.108","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312119","20.2","0.0006","22.6951","0.0006","25.32","0.0007","65.676","0.001","88.524","0.001","86.036","0.001","10552","0.5","109","2","109","2","","","","","","","","4","P -1","-P 1","2","","","","- Eu8 O228 P4 W43 -","- Eu8 O228 P4 W43 -","- Eu16 O456 P8 W86 -","2","1","","Cheng Zhang; Robertha C. Howell; Kymora B. Scotland; Frances G. Perez; Louis Todaro; Lynn C. Francesconi","Aqueous Speciation Studies of Europium(III) Phosphotungstate","Inorganic Chemistry","2004","43","","7691","7701","10.1021/ic049655h","","","0.71073","MoKα","","0.0624","0.0534","","","0.1292","0.1347","","","","","","1.071","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312120","11.428","0.002","11.593","0.002","19.754","0.004","103.66","0.03","95.29","0.03","102.31","0.03","2456.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Al Eu O41 P W11 -","- Al Eu O41 P W11 -","- Al2 Eu2 O82 P2 W22 -","2","1","","Cheng Zhang; Robertha C. Howell; Kymora B. Scotland; Frances G. Perez; Louis Todaro; Lynn C. Francesconi","Aqueous Speciation Studies of Europium(III) Phosphotungstate","Inorganic Chemistry","2004","43","","7691","7701","10.1021/ic049655h","","","0.71073","MoKα","","0.0687","0.0572","","","0.1634","0.177","","","","","","1.096","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312121","12.8663","0.0014","19.823","0.002","21.706","0.002","114.57","0.002","91.858","0.002","102.914","0.002","4858.2","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Cl Cs11 Eu K O93 P2 W22 -","- Cl Cs11 Eu K O93 P2 W22 -","- Cl2 Cs22 Eu2 K2 O186 P4 W44 -","2","1","","Cheng Zhang; Robertha C. Howell; Kymora B. Scotland; Frances G. Perez; Louis Todaro; Lynn C. Francesconi","Aqueous Speciation Studies of Europium(III) Phosphotungstate","Inorganic Chemistry","2004","43","","7691","7701","10.1021/ic049655h","","","0.71073","MoKα","","0.117","0.0818","","","0.2135","0.2391","","","","","","0.986","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312122","12.649","0.006","16.23","0.008","21.518","0.009","111.223","0.016","94.182","0.018","107.581","0.017","3842","3","100","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Al4 Eu2 K2 O168 P4 W34 -","- Al4 Eu2 K2 O168 P4 W34 -","- Al4 Eu2 K2 O168 P4 W34 -","1","0.5","","Cheng Zhang; Robertha C. Howell; Kymora B. Scotland; Frances G. Perez; Louis Todaro; Lynn C. Francesconi","Aqueous Speciation Studies of Europium(III) Phosphotungstate","Inorganic Chemistry","2004","43","","7691","7701","10.1021/ic049655h","","","0.71073","MoKα","","0.0946","0.0778","","","0.2158","0.2293","","","","","","1.055","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312123","12.0083","0.0001","12.9967","0.0001","23.1465","0.0002","91.6097","0.0003","96.7525","0.0003","110.251","0.0004","3356.43","0.05","200","","200","","","","","","","","?","5","P -1","-P 1","2","","","","- C77.5 H67 As4 Cl3 Pt2 -","- C77.5 H67 As4 Cl3 Pt2 -","- C155 H134 As8 Cl6 Pt4 -","2","1","","Martin A. Bennett; Suresh K. Bhargava; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Steven H. Privér; A. David Rae; Anthony C. Willis","Synthesis, Characterization, and Electrochemical Relationships of Dinuclear Complexes of Platinum(II) and Platinum(III) Containing Ortho-Metalated Tertiary Arsine Ligands","Inorganic Chemistry","2004","43","","7752","7763","10.1021/ic0498790","","","0.71073","MoKα","","","0.0257","","","","0.0276","","","","","","1.0729","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312124","11.8523","0.0001","19.3514","0.0002","14.8829","0.0002","90","","105.938","0.0005","90","","3282.3","0.06","200","","200","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H68 As4 Cl4 Pt2 -","- C78 H64 As4 Cl4 Pt2 -","- C156 H128 As8 Cl8 Pt4 -","2","0.5","","Martin A. Bennett; Suresh K. Bhargava; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Steven H. Privér; A. David Rae; Anthony C. Willis","Synthesis, Characterization, and Electrochemical Relationships of Dinuclear Complexes of Platinum(II) and Platinum(III) Containing Ortho-Metalated Tertiary Arsine Ligands","Inorganic Chemistry","2004","43","","7752","7763","10.1021/ic0498790","","","0.71073","MoKα","","","0.0267","","","","0.0294","","","","","","1.0771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312125","12.5394","0.0002","12.7062","0.0002","13.5404","0.0003","97.7853","0.0009","98.184","0.001","115.244","0.0009","1884.53","0.06","200","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C80 H72 As4 Cl10 Pt2 -","- C80 H72 As4 Cl10 Pt2 -","- C80 H72 As4 Cl10 Pt2 -","1","0.5","","Martin A. Bennett; Suresh K. Bhargava; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Steven H. Privér; A. David Rae; Anthony C. Willis","Synthesis, Characterization, and Electrochemical Relationships of Dinuclear Complexes of Platinum(II) and Platinum(III) Containing Ortho-Metalated Tertiary Arsine Ligands","Inorganic Chemistry","2004","43","","7752","7763","10.1021/ic0498790","","","0.71073","MoKα","","","0.032","","","","0.0358","","","","","","1.0725","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312126","12.573","0.0001","12.7721","0.0001","13.5518","0.0001","97.4468","0.0005","98.2516","0.0006","115.081","0.0004","1906.05","0.03","200","","200","","","","","","","","?","6","P -1","-P 1","2","","","","- C80 H72 As4 Br2 Cl8 Pt2 -","- C80 H72 As4 Br2 Cl8 Pt2 -","- C80 H72 As4 Br2 Cl8 Pt2 -","1","0.5","","Martin A. Bennett; Suresh K. Bhargava; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Steven H. Privér; A. David Rae; Anthony C. Willis","Synthesis, Characterization, and Electrochemical Relationships of Dinuclear Complexes of Platinum(II) and Platinum(III) Containing Ortho-Metalated Tertiary Arsine Ligands","Inorganic Chemistry","2004","43","","7752","7763","10.1021/ic0498790","","","0.71073","MoKα","","","0.0349","","","","0.04","","","","","","1.0567","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312127","13.9842","0.0001","13.0891","0.0001","39.8723","0.0003","90","","91.6151","0.0003","90","","7295.35","0.09","200","","200","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H68 As4 Cl4 I2 Pt2 -","- C78 H68 As4 Cl4 I2 Pt2 -","- C312 H272 As16 Cl16 I8 Pt8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Steven H. Privér; A. David Rae; Anthony C. Willis","Synthesis, Characterization, and Electrochemical Relationships of Dinuclear Complexes of Platinum(II) and Platinum(III) Containing Ortho-Metalated Tertiary Arsine Ligands","Inorganic Chemistry","2004","43","","7752","7763","10.1021/ic0498790","","","0.71073","MoKα","","","0.039","","","","0.054","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312128","12.5155","0.0001","12.7912","0.0001","13.5105","0.0002","97.6992","0.0005","98.6654","0.0005","114.178","0.0005","1904.15","0.04","200","","200","","","","","","","","?","6","P -1","-P 1","2","","","","- C82 H72 As4 Cl8 N2 Pt2 -","- C82 H72 As4 Cl8 N2 Pt2 -","- C82 H72 As4 Cl8 N2 Pt2 -","1","0.5","","Martin A. Bennett; Suresh K. Bhargava; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Steven H. Privér; A. David Rae; Anthony C. Willis","Synthesis, Characterization, and Electrochemical Relationships of Dinuclear Complexes of Platinum(II) and Platinum(III) Containing Ortho-Metalated Tertiary Arsine Ligands","Inorganic Chemistry","2004","43","","7752","7763","10.1021/ic0498790","","","0.71073","MoKα","","","0.0226","","","","0.025","","","","","","1.0586","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312129","13.8368","0.0001","13.0378","0.0001","40.5832","0.0002","90","","91.1694","0.0002","90","","7319.74","0.09","200","","200","","","","","","","","?","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H68 As4 Cl4 N2 O2 Pt2 -","- C80 H68 As4 Cl4 N2 O2 Pt2 -","- C320 H272 As16 Cl16 N8 O8 Pt8 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Steven H. Privér; A. David Rae; Anthony C. Willis","Synthesis, Characterization, and Electrochemical Relationships of Dinuclear Complexes of Platinum(II) and Platinum(III) Containing Ortho-Metalated Tertiary Arsine Ligands","Inorganic Chemistry","2004","43","","7752","7763","10.1021/ic0498790","","","0.71073","MoKα","","","0.0237","","","","0.0262","","","","","","1.0766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312130","26.1349","0.0001","12.9746","0.0001","38.4786","0.0003","90","","94.3806","0.0002","90","","13009.6","0.15","200","","200","","","","","","","","?","7","P 1 21/n 1","-P 2yn","14","","","","- C153 H132 As8 Cl2 F4 O Pt4 -","- C153 H130 As8 Cl2 F4 O Pt4 -","- C612 H520 As32 Cl8 F16 O4 Pt16 -","4","1","","Martin A. Bennett; Suresh K. Bhargava; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Steven H. Privér; A. David Rae; Anthony C. Willis","Synthesis, Characterization, and Electrochemical Relationships of Dinuclear Complexes of Platinum(II) and Platinum(III) Containing Ortho-Metalated Tertiary Arsine Ligands","Inorganic Chemistry","2004","43","","7752","7763","10.1021/ic0498790","","","0.71073","MoKα","","","0.0274","","","","0.0271","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312131","11.971","0.0014","11.971","0.0014","11.971","0.0014","90","","90","","90","","1715.5","0.3","102","2","102","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","erbium aluminium garnet (synthetic)","threeerbium pentaaluminium oxide","","- Al5 Er3 O12 -","- Al5 Er3 O12 -","- Al40 Er24 O96 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0284","0.0107","","","0.026","0.0286","","","","","","0.604","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312132","11.9827","0.0014","11.9827","0.0014","11.9827","0.0014","90","","90","","90","","1720.5","0.3","295","2","295","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","erbium aluminium garnet (synthetic)","threeerbium pentaaluminium oxide","","- Al5 Er3 O12 -","- Al5 Er3 O12 -","- Al40 Er24 O96 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0259","0.0092","","","0.0199","0.0234","","","","","","0.476","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312133","11.985","0.0014","11.985","0.0014","11.985","0.0014","90","","90","","90","","1721.5","0.3","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 Er0.7 O12 Y2.3 -","- Al5 Er0.69 O12 Y2.31 -","- Al40 Er5.52 O96 Y18.48 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0388","0.0176","","","0.0331","0.0348","","","","","","0.537","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312134","11.9955","0.0014","11.9955","0.0014","11.9955","0.0014","90","","90","","90","","1726.1","0.3","295","2","295","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","erbium-yttrium aluminium garnet (synthetic)","'erbium yttrium aluminium oxide (0.7/2.3/5/12)","","- Al5 Er0.7 O12 Y2.3 -","- Al5 Er0.69 O12 Y2.31 -","- Al40 Er5.52 O96 Y18.48 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0414","0.0178","","","0.0325","0.0345","","","","","","0.523","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312135","11.9822","0.0014","11.9822","0.0014","11.9822","0.0014","90","","90","","90","","1720.3","0.3","102","2","102","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","erbium-yttrium aluminium garnet (synthetic)","erbium yttrium aluminium oxide (1.4/1.6/5/12)","","- Al5 Er1.4 O12 Y1.6 -","- Al5 Er1.41 O12 Y1.59 -","- Al40 Er11.28 O96 Y12.72 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0309","0.0128","","","0.0267","0.0284","","","","","","0.496","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312136","11.9836","0.0014","11.9836","0.0014","11.9836","0.0014","90","","90","","90","","1720.9","0.3","150","1","150","1","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","erbium-yttrium aluminium garnet (synthetic)","erbium yttrium aluminium oxide (1.4/1.6/5/12)","","- Al5 Er1.4 O12 Y1.6 -","- Al5 Er1.41 O12 Y1.59 -","- Al40 Er11.28 O96 Y12.72 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0311","0.0134","","","0.0255","0.0272","","","","","","0.473","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312137","11.9866","0.0014","11.9866","0.0014","11.9866","0.0014","90","","90","","90","","1722.2","0.3","200","1","200","1","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","erbium-yttrium aluminium garnet (synthetic)","erbium yttrium aluminium oxide (1.4/1.6/5/12)","","- Al5 Er1.4 O12 Y1.6 -","- Al5 Er1.41 O12 Y1.59 -","- Al40 Er11.28 O96 Y12.72 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0306","0.0124","","","0.0245","0.0264","","","","","","0.457","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312138","11.989","0.0014","11.989","0.0014","11.989","0.0014","90","","90","","90","","1723.3","0.3","250","1","250","1","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","erbium-yttrium aluminium garnet (synthetic)","erbium yttrium aluminium oxide (1.4/1.6/5/12)","","- Al5 Er1.4 O12 Y1.6 -","- Al5 Er1.41 O12 Y1.59 -","- Al40 Er11.28 O96 Y12.72 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0311","0.0129","","","0.0244","0.0262","","","","","","0.45","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312139","11.9896","0.0014","11.9896","0.0014","11.9896","0.0014","90","","90","","90","","1723.5","0.3","295","2","295","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","erbium-yttrium aluminium garnet (synthetic)","erbium yttrium aluminium oxide (1.4/1.6/5/12)","","- Al5 Er1.4 O12 Y1.6 -","- Al5 Er1.41 O12 Y1.59 -","- Al40 Er11.28 O96 Y12.72 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0486","0.016","","","0.0292","0.0347","","","","","","0.366","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312140","11.979","0.0014","11.979","0.0014","11.979","0.0014","90","","90","","90","","1718.9","0.3","102","2","102","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","erbium-yttrium aluminium garnet (synthetic)","erbium yttrium aluminium oxide (2.17/0.83/5/12)","","- Al5 Er2.17 O12 Y0.82 -","- Al5 Er2.19 O12 Y0.84 -","- Al40 Er17.52 O96 Y6.72 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0291","0.0127","","","0.0276","0.0295","","","","","","0.569","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312141","11.9881","0.0014","11.9881","0.0014","11.9881","0.0014","90","","90","","90","","1722.9","0.3","295","2","295","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","erbium-yttrium aluminium garnet (synthetic)","erbium yttrium aluminium oxide (2.17/0.83/5/12)","","- Al5 Er2.17 O12 Y0.82 -","- Al5 Er2.19 O12 Y0.84 -","- Al40 Er17.52 O96 Y6.72 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0293","0.0117","","","0.0231","0.0256","","","","","","0.477","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312142","11.99","0.0014","11.99","0.0014","11.99","0.0014","90","","90","","90","","1723.7","0.3","293","2","293","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Y3 -","- Al5 O12 Y3 -","- Al40 O96 Y24 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0702","0.0174","","","0.0298","0.0372","","","","","","0.319","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312143","12.0003","0.0014","12.0003","0.0014","12.0003","0.0014","90","","90","","90","","1728.1","0.3","293","2","293","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Y3 -","- Al5 O12 Y3 -","- Al40 O96 Y24 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0604","0.0161","","","0.027","0.0316","","","","","","0.345","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312144","11.9182","0.0014","11.9182","0.0014","11.9182","0.0014","90","","90","","90","","1692.9","0.3","293","2","293","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Yb3 -","- Al5 O12 Yb3 -","- Al40 O96 Yb24 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0285","0.0096","","","0.0189","0.0231","","","","","","0.397","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312145","11.9281","0.0014","11.9281","0.0014","11.9281","0.0014","90","","90","","90","","1697.1","0.3","293","2","293","2","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Yb3 -","- Al5 O12 Yb3 -","- Al40 O96 Yb24 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0336","0.0126","","","0.0243","0.0289","","","","","","0.426","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312146","11.9729","0.0014","11.9729","0.0014","11.9729","0.0014","90","","90","","90","","1716.3","0.3","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Y2.21 Yb0.8 -","- Al5 O12 Y2.22 Yb0.78 -","- Al40 O96 Y17.76 Yb6.24 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0365","0.0146","","","0.0265","0.0288","","","","","","0.431","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312147","11.9813","0.0014","11.9813","0.0014","11.9813","0.0014","90","","90","","90","","1719.9","0.3","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Y2.21 Yb0.8 -","- Al5 O12 Y2.22 Yb0.78 -","- Al40 O96 Y17.76 Yb6.24 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0409","0.0154","","","0.0263","0.0289","","","","","","0.423","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312148","11.9653","0.0014","11.9653","0.0014","11.9653","0.0014","90","","90","","90","","1713.1","0.3","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Y1.55 Yb1.45 -","- Al5 O12 Y1.56 Yb1.44 -","- Al40 O96 Y12.48 Yb11.52 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0347","0.0141","","","0.025","0.0278","","","","","","0.414","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312149","11.9716","0.0014","11.9716","0.0014","11.9716","0.0014","90","","90","","90","","1715.8","0.3","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Y1.55 Yb1.45 -","- Al5 O12 Y1.56 Yb1.44 -","- Al40 O96 Y12.48 Yb11.52 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0358","0.015","","","0.0262","0.0287","","","","","","0.418","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312150","11.9427","0.0014","11.9427","0.0014","11.9427","0.0014","90","","90","","90","","1703.4","0.3","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Y0.72 Yb2.28 -","- Al5 O12 Y0.72 Yb2.28 -","- Al40 O96 Y5.76 Yb18.24 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0286","0.0109","","","0.0219","0.025","","","","","","0.423","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312151","11.9531","0.0014","11.9531","0.0014","11.9531","0.0014","90","","90","","90","","1707.8","0.3","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Y0.72 Yb2.28 -","- Al5 O12 Y0.72 Yb2.28 -","- Al40 O96 Y5.76 Yb18.24 -","8","0.0833333","","Łukasz Dobrzycki; Ewa Bulska; Dorota Anna Pawlak; Zygmunt Frukacz; Krzysztof Woźniak","Structure of YAG Crystals Doped/Substituted with Erbium and Ytterbium","Inorganic Chemistry","2004","43","","7656","7664","10.1021/ic049920z","","","0.71073","MoKα","","0.0311","0.0122","","","0.0225","0.0253","","","","","","0.433","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312152","13.4108","0.0007","15.5496","0.0008","24.1156","0.0012","100.084","0.001","101.927","0.001","103.399","0.001","4653.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu5 H45 K10 O90.5 Si2 W18 -","- Cu5 K5.75 O90.5 Si2 W18 -","- Cu10 K11.5 O181 Si4 W36 -","2","1","","Li-Hua Bi; Ulrich Kortz","Synthesis and Structure of the Pentacopper(II) Substituted Tungstosilicate [Cu5(OH)4(H2O)2(A-α-SiW9O33)2]10-","Inorganic Chemistry","2004","43","","7961","7962","10.1021/ic048689m","","","0.71073","MoKα","","0.0792","0.0685","","","0.1787","0.189","","","","","","1.073","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312153","6.7172","0.0006","7.8064","0.0007","14.6333","0.0014","90","","90","","90","","767.33","0.12","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Me2-NH2-tetrazole][NO3]","","","- C3 H8 N6 O3 -","- C3 H8 N6 O3 -","- C12 H32 N24 O12 -","4","1","","Hong Xue; Sean W. Arritt; Brendan Twamley; Jean'ne M. Shreeve","Energetic Salts from N-Aminoazoles","Inorganic Chemistry","2004","43","","7972","7977","10.1021/ic048890x","","","0.71073","MoKα","","0.0524","0.0411","","","0.0883","0.0924","","","","","","1.058","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312154","9.331","0.0001","17.724","0.0003","22.664","0.0001","90","","98.9","0.001","90","","3703.1","0.08","131","2","131","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Cu N2 O2 S2 -","- C37 H50 Cu N2 O2 S2 -","- C148 H200 Cu4 N8 O8 S8 -","4","1","","Russell C. Pratt; Liviu M. Mirica; T. Daniel P. Stack","Snapshots of a Metamorphosing Cu(II) Ground State in a Galactose Oxidase-Inspired Complex","Inorganic Chemistry","2004","43","","8030","8039","10.1021/ic048904z","","","0.71073","MoKα","","0.0533","0.0363","","","0.0877","0.0952","","","","","","1.015","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312155","12.769","0.002","13.517","0.002","13.569","0.002","99.592","0.003","106.493","0.003","108.579","0.003","2041.7","0.5","169","2","169","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H57 Cu N O4 S2 -","- C40 H57 Cu N O4 S2 -","- C80 H114 Cu2 N2 O8 S4 -","2","1","","Russell C. Pratt; Liviu M. Mirica; T. Daniel P. Stack","Snapshots of a Metamorphosing Cu(II) Ground State in a Galactose Oxidase-Inspired Complex","Inorganic Chemistry","2004","43","","8030","8039","10.1021/ic048904z","","","0.71069","MoKα","","0.1914","0.0793","","","0.1388","0.1796","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312156","10.91","0.0001","14.2681","0.0002","24.5397","0.0004","90","","98.456","0.001","90","","3778.45","0.09","132","2","132","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cu N2 O2 S2 -","- C40 H52 Cu N2 O2 S2 -","- C160 H208 Cu4 N8 O8 S8 -","4","1","","Russell C. Pratt; Liviu M. Mirica; T. Daniel P. Stack","Snapshots of a Metamorphosing Cu(II) Ground State in a Galactose Oxidase-Inspired Complex","Inorganic Chemistry","2004","43","","8030","8039","10.1021/ic048904z","","","0.71073","MoKα","","0.0832","0.0476","","","0.107","0.1214","","","","","","0.998","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312157","12.081","0.0005","16.5071","0.0007","31.8966","0.0013","78.85","0.001","82.068","0.001","76.844","0.001","6047.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H96 Ag3 F9 O9 S15 -","- C132 H96 Ag3 F9 O9 S15 -","- C264 H192 Ag6 F18 O18 S30 -","2","1","","Kunhao Li; Zhengtao Xu; James C. Fettinger","Fluorescent Coordination Networks of 2,3,6,7,10,11-Hexakis(phenylthio)triphenylene and Silver(I) Triflate","Inorganic Chemistry","2004","43","","8018","8022","10.1021/ic048917c","","","0.71073","MoKα","","0.0798","0.0565","","","0.1553","0.1709","","","","","","1.103","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312158","12.073","0.0005","16.3911","0.0007","16.4728","0.0007","107.544","0.001","92.037","0.001","104.555","0.001","2986.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H88 Ag3 F9 O11 S15 -","- C118.38 H62 Ag3 F7.14 O10 S15 -","- C118.38 H62 Ag3 F7.14 O10 S15 -","1","0.5","","Kunhao Li; Zhengtao Xu; James C. Fettinger","Fluorescent Coordination Networks of 2,3,6,7,10,11-Hexakis(phenylthio)triphenylene and Silver(I) Triflate","Inorganic Chemistry","2004","43","","8018","8022","10.1021/ic048917c","","","0.71073","MoKα","","0.0829","0.0702","","","0.2288","0.2481","","","","","","1.1","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312159","14.3251","0.0004","14.844","0.0005","13.0603","0.0004","90","","90","","90","","2777.17","0.15","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","mu4-seleno-tetrakis(mu2,hapta2-diseleno)-octaiodo-tetratantalum(IV,V)","","- I8 Se9 Ta4 -","- I8 Se9 Ta4 -","- I32 Se36 Ta16 -","4","1","","Maxim N. Sokolov; Artyom L. Gushchin; Alexandr V. Virovets; Eugenia V. Peresypkina; Svetlana G. Kozlova; Vladimir P. Fedin","Synthesis and Characterization of a Novel Tantalum Chalcogen-Rich Molecular Cluster with Square Planar Metal Core","Inorganic Chemistry","2004","43","","7966","7968","10.1021/ic0489239","","","0.71073","MoKα","","0.0193","0.0168","","","0.0371","0.0377","","","","","","1.001","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4312160","7.3951","0.0009","24.897","0.003","7.4812","0.0009","90","","99.448","0.002","90","","1358.7","0.3","150","","150","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C2 Cl F3 O4 S -","- C2 Cl F3 O4 S -","- C16 Cl8 F24 O32 S8 -","8","2","","Carlos O. Della Védova; Anthony J. Downs; Eleonora Moschione; Simon Parsons; Rosana M. Romano","Chlorocarbonyl Trifluoromethanesulfonate, ClC(O)OSO2CF3: Structure and Conformational Properties in the Gaseous and Condensed Phases","Inorganic Chemistry","2004","43","","8143","8149","10.1021/ic0489488","","","0.71073","MoKα","","","0.0291","","","","0.0311","","","","","","1.0441","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312161","17.3727","0.0003","8.8672","0.0002","28.7129","0.0006","90","","91.4844","0.0007","90","","4421.66","0.16","293","","293","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Co N6 S19 Sb12 -","- C6 H24 Co N6 S19 Sb12 -","- C24 H96 Co4 N24 S76 Sb48 -","4","1","","Paz Vaqueiro; Ann M. Chippindale; Anthony V. Powell","[Co(en)3][Sb12S19]: A New Antimony Sulfide with a Zeolite-like Structure Containing One-Dimensional Channels","Inorganic Chemistry","2004","43","","7963","7965","10.1021/ic048985z","","","0.71073","MoKα","","0.1293","0.0348","","0.0879","0.0407","0.0407","","","","","","1.0934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312162","12.4836","0.0002","15.6758","0.0003","16.1148","0.0003","99.202","0.001","98.629","0.001","92.353","0.002","3070.85","0.1","173","1","173","1","","","","","","","","8","P -1","-P 1","2","ana233","","","- C68 H47 Cl2 F8 O3 P3 Pt S -","- C68 H47 Cl2 F8 O3 P3 Pt S -","- C136 H94 Cl4 F16 O6 P6 Pt2 S2 -","2","1","","Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]","Inorganic Chemistry","2004","43","","8185","8198","10.1021/ic048987j","","","0.71073","MoKα","","0.0511","0.0416","","","0.1007","0.1059","","","","","","1.035","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312163","9.7616","0.0001","20.5301","0.0003","20.6733","0.0003","90","","99.928","0.001","90","","4081.02","0.09","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","mbn2","","","- C48 H42 Cl O4 P2 Rh -","- C48 H42 Cl O4 P2 Rh -","- C192 H168 Cl4 O16 P8 Rh4 -","4","1","","Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]","Inorganic Chemistry","2004","43","","8185","8198","10.1021/ic048987j","","","0.71073","MoKα","","0.0623","0.0404","","","0.0839","0.0935","","","","","","1.022","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312164","10.649","0.0001","14.827","0.0001","26.865","0.0003","90","","90","","90","","4241.79","0.07","223","1","223","1","","","","","","","","6","P n c a","-P 2a 2n","60","ana277","","","- C49 H40 O P2 Pt S2 -","- C49 H40 O P2 Pt S2 -","- C196 H160 O4 P8 Pt4 S8 -","4","0.5","","Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]","Inorganic Chemistry","2004","43","","8185","8198","10.1021/ic048987j","","","0.71073","mokα","","0.0432","0.0253","","","0.0511","0.0574","","","","","","0.991","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312165","15.6604","0.0001","23.0236","0.0002","23.3432","0.0002","90","","94.44","","90","","8391.34","0.12","173","1","173","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","ana235","","","- C91 H69 F18 O7 P3 Pt2 S -","- C91 H69 F18 O7 P3 Pt2 S -","- C364 H276 F72 O28 P12 Pt8 S4 -","4","1","","Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]","Inorganic Chemistry","2004","43","","8185","8198","10.1021/ic048987j","","","0.71073","MoKα","","0.0606","0.0454","","","0.1078","0.1157","","","","","","1.043","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312166","20.178","0.0003","15.3627","0.0002","23.0999","0.0003","90","","104.349","0.001","90","","6937.32","0.17","173","1","173","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","ana269","","","- C75 H48 Cl4 F13 O3 P3 Pt S -","- C75 H48 Cl4 F13 O3 P3 Pt S -","- C300 H192 Cl16 F52 O12 P12 Pt4 S4 -","4","1","","Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]","Inorganic Chemistry","2004","43","","8185","8198","10.1021/ic048987j","","","0.71073","MoKα","","0.0801","0.052","","","0.149","0.1822","","","","","","1.049","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312167","11.6299","0.0002","12.1801","0.0002","12.2589","0.0002","102.89","0.001","100.57","0.001","99.776","0.001","1623.3","0.05","173","1","173","1","","","","","","","","7","P -1","-P 1","2","mbn294","","","- C65.5 H33 Cl3 F20 O2 P2 Pt2 -","- C65.5 H33 Cl3 F20 O2 P2 Pt2 -","- C65.5 H33 Cl3 F20 O2 P2 Pt2 -","1","0.5","","Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]","Inorganic Chemistry","2004","43","","8185","8198","10.1021/ic048987j","","","0.71073","MoKα","","0.0444","0.038","","","0.0961","0.0995","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312168","15.3996","0.0003","15.7509","0.0002","18.5369","0.0004","107.125","0.001","93.346","0.001","109.968","0.001","3974.89","0.13","223","1","223","1","","","","","","","","6","P -1","-P 1","2","ana279","","","- C70 H34 F20 P2 Pt3 S2 -","- C70 H34 F20 P2 Pt3 S2 -","- C140 H68 F40 P4 Pt6 S4 -","2","1","","Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno","Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]","Inorganic Chemistry","2004","43","","8185","8198","10.1021/ic048987j","","","0.71073","MoKα","","0.058","0.0428","","","0.1134","0.1252","","","","","","1.054","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312169","11.9357","0.0012","13.5389","0.0013","14.4089","0.0016","90","","96.835","0.002","90","","2311.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O10 -","- C27 H20 N2 O10 -","- C108 H80 N8 O40 -","4","1","","Jian Zhang; Zhao-Ji Li; Yao Kang; Jian-Kai Cheng; Yuan-Gen Yao","Hydrothermal Syntheses, Crystal Structures, and Properties of a Novel Class of 3,3',4,4'-Benzophenone-tetracarboxylate (BPTC) Polymers","Inorganic Chemistry","2004","43","","8085","8091","10.1021/ic0491074","","","0.71073","MoKα","","","0.0789","","","0.1606","0.2071","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312170","7.5248","0.0001","10.8479","0.0003","20.2178","0.0005","79.011","0.001","87.8","0.001","80.993","0.001","1600.04","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H50 Cd2 Cu N8 O20 -","- C74 H48 Cd2 Cu N8 O20 -","- C74 H48 Cd2 Cu N8 O20 -","1","0.5","","Jian Zhang; Zhao-Ji Li; Yao Kang; Jian-Kai Cheng; Yuan-Gen Yao","Hydrothermal Syntheses, Crystal Structures, and Properties of a Novel Class of 3,3',4,4'-Benzophenone-tetracarboxylate (BPTC) Polymers","Inorganic Chemistry","2004","43","","8085","8091","10.1021/ic0491074","","","0.71073","MoKα","","","0.0452","","","0.1105","0.1349","","","","","","1.038","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312171","11.32","0.02","11.41","0.005","22.795","0.018","90","","92.951","0.014","90","","2940","6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H50 Co3 N6 O24 -","- C64 H50 Co3 N6 O24 -","- C128 H100 Co6 N12 O48 -","2","0.5","","Jian Zhang; Zhao-Ji Li; Yao Kang; Jian-Kai Cheng; Yuan-Gen Yao","Hydrothermal Syntheses, Crystal Structures, and Properties of a Novel Class of 3,3',4,4'-Benzophenone-tetracarboxylate (BPTC) Polymers","Inorganic Chemistry","2004","43","","8085","8091","10.1021/ic0491074","","","0.71073","MoKα","","","0.0501","","","0.1118","0.1225","","","","","","1.05","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312172","24.863","0.006","18.046","0.01","15.977","0.013","90","","96.93","0.05","90","","7116","7","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H55 Cu2 N10 O17.5 -","- C20 H40 Cu2 N10 O17.5 -","- C160 H320 Cu16 N80 O140 -","8","2","","Leroy Cronin; Pamela A. McGregor; Simon Parsons; Simon Teat; Robert O. Gould; Vivienne A. White; Nicholas J. Long; Neil Robertson","Synthesis, Structure, and Complexation of a Large 28-mer Macrocycle Containing Two Binding Sites for Either Anions or Metal Ions","Inorganic Chemistry","2004","43","","8023","8029","10.1021/ic049190v","","","1.54184","CuKα","","0.2616","0.1478","","","0.3645","0.4725","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312173","11.596","0.003","11.803","0.006","14.575","0.007","89.86","0.05","83.68","0.05","64.05","0.04","1780.5","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H52 N12 O20 -","- C20 H52 N12 O20 -","- C40 H104 N24 O40 -","2","1","","Leroy Cronin; Pamela A. McGregor; Simon Parsons; Simon Teat; Robert O. Gould; Vivienne A. White; Nicholas J. Long; Neil Robertson","Synthesis, Structure, and Complexation of a Large 28-mer Macrocycle Containing Two Binding Sites for Either Anions or Metal Ions","Inorganic Chemistry","2004","43","","8023","8029","10.1021/ic049190v","","","0.6884","Synchrotron","","0.1996","0.1197","","","0.344","0.3664","","","","","","1.062","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4312174","4.05062","0.00007","4.05062","0.00007","12.5936","0.0003","90","","90","","90","","206.63","0.007","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- N0.36 Nb O3.64 Sr2 -","- N0.722 Nb O3.278 Sr2 -","- N1.444 Nb2 O6.556 Sr4 -","2","0.0625","","Gerard Tobías; Daniel Beltrán-Porter; Oleg I. Lebedev; Gustaaf Van Tendeloo; Juan Rodríguez-Carvajal; Amparo Fuertes","Anion Ordering and Defect Structure in Ruddlesden-Popper Strontium Niobium Oxynitrides","Inorganic Chemistry","2004","43","","8010","8017","10.1021/ic049236k","powder diffraction","neutron","1.2253","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.3078","","","","","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312175","4.0518","0.0005","4.0518","0.0005","4.0518","0.0005","90","","90","","90","","66.519","0.014","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- N0.33 Nb O0.66 Sr -","- N0.99999 Nb O2.00001 Sr -","- N0.99999 Nb O2.00001 Sr -","1","0.0208333","","Gerard Tobías; Daniel Beltrán-Porter; Oleg I. Lebedev; Gustaaf Van Tendeloo; Juan Rodríguez-Carvajal; Amparo Fuertes","Anion Ordering and Defect Structure in Ruddlesden-Popper Strontium Niobium Oxynitrides","Inorganic Chemistry","2004","43","","8010","8017","10.1021/ic049236k","powder diffraction","neutron","1.2253","ConstantWavelengthNeutronDiffraction","","","","","","","","","8.9156","","","","","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312176","10.721","0.002","12.646","0.003","15.917","0.006","76.45","0.02","86.77","0.02","88.17","0.02","2094.2","1","135","2","135","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H45 B11 F N P2 -","- C43 H45 B11 F N P2 -","- C86 H90 B22 F2 N2 P4 -","2","1","","Stefanie Körbe; Damian B. Sowers; Andreas Franken; Josef Michl","Preparation of 1-p-Halophenyl and 1-p-Biphenylyl Substituted Monocarbadodecaborate Anions [closo-1-Ar-CB11H11]- by Insertion of Arylhalocarbenes into [nido-B11H14]-","Inorganic Chemistry","2004","43","","8158","8161","10.1021/ic049255u","","","0.71073","MoKα","","0.0584","0.0479","","","0.1217","0.1321","","","","","","1.016","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312177","11.145","0.002","12.848","0.002","40.159","0.003","90","","90","","90","","5750.4","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 N O12 S24 Sb2 -","- C40 H31 N O12 S24 Sb2 -","- C160 H124 N4 O48 S96 Sb8 -","4","1","","Eugenio Coronado; José R. Galán-Mascarós; Carlos J. Gómez-García; Ana Murcia-Martínez; Enric Canadell","A Chiral Molecular Conductor: Synthesis, Structure, and Physical Properties of [ET]3[Sb2(l-tart)2].CH3CN (ET = Bis(ethylendithio)tetrathiafulvalene; l-tart = (2R,3R)-(+)-Tartrate)","Inorganic Chemistry","2004","43","","8072","8077","10.1021/ic049257e","","","0.71069","MoKα","","0.0662","0.04","","","0.0736","0.0793","","","","","","0.969","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312178","13.358","0.003","14.198","0.003","19.723","0.004","83.88","0.03","86.04","0.03","64.66","0.03","3360.3","1.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H52 As8 Cl N10 Ni3.5 O47 V13 -","- C10 H34 As8 Cl N10 Ni3.5 O47 V13 -","- C20 H68 As16 Cl2 N20 Ni7 O94 V26 -","2","1","","Xiao-Bing Cui; Ji-Qing Xu; He Meng; Shou-Tian Zheng; Guo-Yu Yang","A Novel Chainlike As-V-O Polymer Based on a Transition Metal Complex and a Dimeric Polyoxoanion","Inorganic Chemistry","2004","43","","8005","8009","10.1021/ic0492892","","","0.71073","MoKα","","0.0697","0.0536","","","0.1435","0.1569","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312179","11.8116","0.0004","11.8116","0.0004","9.0311","0.0003","90","","90","","120","","1091.16","0.06","295","2","295","2","","","","","","","","6","P 3 1 m","P 3 -2","157","","Guanidinium Hexaaqua Vanadium Disulphate","","- C H18 N3 O14 S2 V -","- C H18 N3 O14 S2 V -","- C3 H54 N9 O42 S6 V3 -","3","0.5","","Philip L.W. Tregenna-Piggott; David Spichiger; Graham Carver; Beatrice Frey; Roland Meier; Høgni Weihe; John A. Cowan; Garry J. McIntyre; Gernot Zahn; Anne-Laure Barra","Structure and Bonding of the Vanadium(III) Hexa-Aqua Cation. 1. Experimental Characterization and Ligand-Field Analysis","Inorganic Chemistry","2004","43","","8049","8060","10.1021/ic049292l","","","0.71073","MoKα","","0.0273","0.0268","","","0.0737","0.0744","","","","","","1.116","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312180","11.317","0.002","16.462","0.002","23.769","0.002","90","","102.04","0.01","90","","4330.8","1","273.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Cl3 N7 O7 Ru -","- C33 H25.5 Cl3 N7 O7 Ru -","- C132 H102 Cl12 N28 O28 Ru4 -","4","1","","Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","","8119","8129","10.1021/ic0494399","","","0.7109","MoKα","","","0.0916","","","","0.2116","","","","","","2.241","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312181","16.858","0.002","11.704","0.001","21.433","0.001","90","","110.29","0.006","90","","3966.5","0.6","288.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 Cl2 N7 O4 Ru -","- C35 H45 Cl2 N7 O4 Ru -","- C140 H180 Cl8 N28 O16 Ru4 -","4","1","","Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0509","","","","0.1466","","","","","","1.072","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312182","11.048","0.007","13.137","0.002","13.427","0.002","80.17","0.08","88.29","0.08","75.47","0.04","1858.6","1.4","273.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H40 Cl F6 N6 O3 P Ru -","- C29 H36 Cl F6 N6 O3 P Ru -","- C58 H72 Cl2 F12 N12 O6 P2 Ru2 -","2","1","","Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0829","","","","0.2574","","","","","","1.148","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312183","8.697","0.003","16.353","0.003","12.652","0.004","90","","102.78","0.02","90","","1754.8","0.9","288.2","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H42 Cl2 F6 N6 O P Ru -","- C28 H40 Cl2 F6 N6 O P Ru -","- C56 H80 Cl4 F12 N12 O2 P2 Ru2 -","2","1","","Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0844","","","","0.2174","","","","","","1.056","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312184","8.93","0.002","11.658","0.002","13.548","0.002","90","","107.59","0.02","90","","1344.5","0.5","273.2","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl F6 N5 O P Ru -","- C23 H27 Cl F6 N5 O P Ru -","- C46 H54 Cl2 F12 N10 O2 P2 Ru2 -","2","1","","Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0383","","","","0.0958","","","","","","1.403","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312185","9.203","0.007","32.344","0.001","13.077","0.007","90","","94.39","0.01","90","","3881","4","273.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H45 Cl3 N7 O3 Ru -","- C33 H45 Cl3 N7 O3 Ru -","- C132 H180 Cl12 N28 O12 Ru4 -","4","1","","Koichiro Jitsukawa; Yoshiyuki Oka; Syuhei Yamaguchi; Hideki Masuda","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0597","","","","0.1451","","","","","","1.283","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4312186","22.457","0.004","23.066","0.006","16.692","0.002","90","","95.99","0.01","90","","8599","3","288.2","","","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C34 H52 Cl F3 N7 O4 Ru S -","- C34 H51 Cl F3 N7 O4 Ru S -","- C272 H408 Cl8 F24 N56 O32 Ru8 S8 -","8","2","","Jitsukawa, Koichiro; Oka, Yoshiyuki; Yamaguchi, Syuhei; Masuda, Hideki","Preparation, Structure Characterization, and Oxidation Activity of Ruthenium Complexes with Tripodal Ligands Bearing Noncovalent Interaction Sites","Inorganic Chemistry","2004","43","25","8119","8129","10.1021/ic0494399","","","0.7107","MoKα","","","0.0634","","","","0.1748","","","","","","1.064","","","","has coordinates","210303","2020-10-21","18:00:00",""
"4312187","18.354","0.003","21.771","0.004","20.752","0.005","90","","110.837","0.009","90","","7750","3","173","","173","","","","","","","","?","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H27 F12 N7 O4 P2 Ru -","- C34 H25 F12 N7 O4 P2 Ru -","- C272 H200 F96 N56 O32 P16 Ru8 -","8","1","","Régis Caspar; Léna Musatkina; Alexander Tatosyan; Hani Amouri; Michel Gruselle; Carine Guyard-Duhayon; Raphaël Duval; Christine Cordier","Efficient DNA Binding by Optically Pure Ruthenium Tris(bipyridyl) Complexes Incorporating Carboxylic Functionalities. Solution and Structural Analysis","Inorganic Chemistry","2004","43","","7986","7993","10.1021/ic0494657","","","0.71073","MoKα","","0.1444","0.0823","","0.1374","0.088","0.0879","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312188","22.7441","0.0013","24.1082","0.0014","29.033","0.002","90","","106.965","0.007","90","","15226.6","1.7","153","2","153","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C101.5 H103 Cl7 Cu2 F24 Fe2 N8 P4 -","- C132 H126 Cu3 F18 Fe3 N12 P3 -","- C528 H504 Cu12 F72 Fe12 N48 P12 -","4","1","","Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky","Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units","Inorganic Chemistry","2004","43","","7994","8004","10.1021/ic049913a","","","0.71073","MoKα","","0.1316","0.0603","","","0.1275","0.1453","","","","","","0.729","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4312189","16.1399","0.0006","19.5241","0.0007","33.5507","0.001","90","","90","","90","","10572.4","0.6","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C96.5 H101 Cl17 Cu2 F12 Fe2 N8 P2 -","- C88 H84 Cu2 F12 Fe2 N8 P2 -","- C352 H336 Cu8 F48 Fe8 N32 P8 -","4","1","","Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky","Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units","Inorganic Chemistry","2004","43","","7994","8004","10.1021/ic049913a","","","0.71073","MoKα","","0.1053","0.0846","","","0.2192","0.2324","","","","","","0.991","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4312190","17.718","0.005","13.533","0.002","21.447","0.004","90","","96.38","0.02","90","","5110.7","1.9","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C91 H90 Ag2 Cl8 Fe2 N8 O8 -","- C88 Ag2 Cl2 Fe2 N8 O8 -","- C176 Ag4 Cl4 Fe4 N16 O16 -","2","1","","Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky","Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units","Inorganic Chemistry","2004","43","","7994","8004","10.1021/ic049913a","","","0.71073","MoKα","","0.2998","0.1155","","","0.1935","0.2545","","","","","","0.75","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4312191","11.8843","0.0008","27.3956","0.0014","16.7683","0.0013","90","","110.565","0.008","90","","5111.5","0.6","153","2","153","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C111 H112 Cl4 Cu2 F12 Fe2 N8 P2 -","- C111 H110 Cl4 Cu2 F12 Fe2 N8 P2 -","- C222 H220 Cl8 Cu4 F24 Fe4 N16 P4 -","2","1","","Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky","Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units","Inorganic Chemistry","2004","43","","7994","8004","10.1021/ic049913a","","","0.71073","MoKα","","0.062","0.0478","","","0.1095","0.1138","","","","","","0.965","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4312192","16.3985","0.0014","5.0714","0.0004","18.2454","0.0015","90","","104.483","0.001","90","","1469.1","0.2","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H36 N4 Se2 -","- C32 H36 N4 Se2 -","- C64 H72 N8 Se4 -","2","0.5","","Snigdha Panda; Harkesh B. Singh; Ray J. Butcher","Synthesis and Structure of Mercurous Ion and Dinuclear Lead(II) Complexes of the 28-Membered Selenaaza Macrocycle: Dominance of the Chelate Ring Size Effect and Conformational Requirement over Soft-Soft Interactions","Inorganic Chemistry","2004","43","","8532","8537","10.1021/ic0351949","","","0.71073","MoKα","","0.0848","0.0416","","","0.0669","0.0739","","","","","","0.94","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312193","10.7737","0.001","10.7737","0.001","28.19","0.005","90","","90","","90","","3272.1","0.7","293","2","293","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C30 H24 F12 N2 O2 P2 Pd Se2 -","- C30 H24 F12 N2 O2 P2 Pd Se2 -","- C120 H96 F48 N8 O8 P8 Pd4 Se8 -","4","0.5","","Snigdha Panda; Harkesh B. Singh; Ray J. Butcher","Synthesis and Structure of Mercurous Ion and Dinuclear Lead(II) Complexes of the 28-Membered Selenaaza Macrocycle: Dominance of the Chelate Ring Size Effect and Conformational Requirement over Soft-Soft Interactions","Inorganic Chemistry","2004","43","","8532","8537","10.1021/ic0351949","","","0.71073","MoKα","","0.089","0.0499","","0.1006","0.0837","","","","1.039","1.074","1.074","","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312194","13.699","0.003","11.917","0.002","13.252","0.003","90","","94.53","0.03","90","","2156.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Mo N2 O3 S -","- C16 H40 Mo N2 O3 S -","- C64 H160 Mo4 N8 O12 S4 -","4","1","","David V. Partyka; R. H. Holm","Oxygen/Sulfur Substitution Reactions of Tetraoxometalates Effected by Electrophilic Carbon and Silicon Reagents","Inorganic Chemistry","2004","43","","8609","8616","10.1021/ic040097g","","","0.71073","MoKα","","0.0783","0.0541","","","0.0888","0.0948","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312195","9.815","0.002","10.689","0.002","15.045","0.003","104.87","0.03","95.78","0.03","116.56","0.03","1321.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H44 Mo N2 O3 S2 -","- C22 H44 Mo N2 O3 S2 -","- C44 H88 Mo2 N4 O6 S4 -","2","1","","David V. Partyka; R. H. Holm","Oxygen/Sulfur Substitution Reactions of Tetraoxometalates Effected by Electrophilic Carbon and Silicon Reagents","Inorganic Chemistry","2004","43","","8609","8616","10.1021/ic040097g","","","0.71073","MoKα","","0.0643","0.0449","","","0.0998","0.1085","","","","","","1.068","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312196","13.644","0.003","11.966","0.002","13.245","0.003","90","","94.38","0.03","90","","2156.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N2 O3 S W -","- C16 H40 N2 O3 S W -","- C64 H160 N8 O12 S4 W4 -","4","1","","David V. Partyka; R. H. Holm","Oxygen/Sulfur Substitution Reactions of Tetraoxometalates Effected by Electrophilic Carbon and Silicon Reagents","Inorganic Chemistry","2004","43","","8609","8616","10.1021/ic040097g","","","0.71073","MoKα","","0.0878","0.0658","","","0.1061","0.1131","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312197","10.07","0.002","12.035","0.002","14.978","0.003","84.25","0.03","88.57","0.03","65.48","0.03","1642.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H39 N O3 S2 Si W -","- C32 H39 N O3 S2 Si W -","- C64 H78 N2 O6 S4 Si2 W2 -","2","1","","David V. Partyka; R. H. Holm","Oxygen/Sulfur Substitution Reactions of Tetraoxometalates Effected by Electrophilic Carbon and Silicon Reagents","Inorganic Chemistry","2004","43","","8609","8616","10.1021/ic040097g","","","0.71073","MoKα","","0.029","0.0245","","","0.0554","0.0574","","","","","","1.042","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312198","7.133","0.0014","21.366","0.004","16.628","0.003","90","","91.38","0.03","90","","2533.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N O3 Re S -","- C8 H20 N O3 Re S -","- C64 H160 N8 O24 Re8 S8 -","8","2","","David V. Partyka; R. H. Holm","Oxygen/Sulfur Substitution Reactions of Tetraoxometalates Effected by Electrophilic Carbon and Silicon Reagents","Inorganic Chemistry","2004","43","","8609","8616","10.1021/ic040097g","","","0.71073","MoKα","","0.1103","0.0968","","","0.1864","0.1911","","","","","","1.276","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312199","13.3699","0.0004","11.7277","0.0004","11.5495","0.0003","90","","105.978","0.002","90","","1740.98","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br2 Mn N4 O2 -","- C17 H13 Br2 Mn N4 O2 -","- C68 H52 Br8 Mn4 N16 O8 -","4","1","","Mei Yuan; Song Gao; Hao-Ling Sun; Gang Su","An Antiferromagnetic Mn(III) Chain Bridged by Hydrogencyanamide: [MnIII(5-Brsalen)(μ1,3-NCNH)]n","Inorganic Chemistry","2004","43","","8221","8223","10.1021/ic048547s","","","0.71073","MoKα","","0.0632","0.0326","","","0.067","0.0733","","","","","","0.979","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312200","20.688","0.004","8.5506","0.0017","25.364","0.005","90","","100.111","0.004","90","","4417.1","1.5","245","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 B Cl N6 S2 Zn -","- C18 H20 B Cl N6 S2 Zn -","- C144 H160 B8 Cl8 N48 S16 Zn8 -","8","1","","Boumahdi Benkmil; Mian Ji; Heinrich Vahrenkamp","Bis(pyrazolyl)(thioimidazolyl)borate Ligands: The Missing Member in the N3...S3 Scorpionate Series","Inorganic Chemistry","2004","43","","8212","8214","10.1021/ic048633s","","","0.71073","MoKα","","0.0631","0.0351","","","0.07","0.0774","","","","","","0.892","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312201","10.0705","0.0019","12.802","0.002","14.399","0.003","90","","106.366","0.003","90","","1781.1","0.6","243","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B Cl N6 S Zn -","- C13 H18 B Cl N6 S Zn -","- C52 H72 B4 Cl4 N24 S4 Zn4 -","4","1","","Boumahdi Benkmil; Mian Ji; Heinrich Vahrenkamp","Bis(pyrazolyl)(thioimidazolyl)borate Ligands: The Missing Member in the N3...S3 Scorpionate Series","Inorganic Chemistry","2004","43","","8212","8214","10.1021/ic048633s","","","0.71073","MoKα","","0.055","0.0326","","","0.0669","0.0749","","","","","","1.062","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312202","9.5935","0.0004","12.9853","0.0006","24.3718","0.001","89.262","0.001","83.06","0.001","87.61","0.001","3011.1","0.2","168","2","168","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H59 F12 N10 O1.5 P2 Ru2 S4 -","- C52 H44 F12 N10 O1.5 P2 Ru2 S4 -","- C104 H88 F24 N20 O3 P4 Ru4 S8 -","2","1","","Szeman Ng; Joseph W. Ziller; Patrick J. Farmer","Multiple Pathways for the Oxygenation of a Ruthenium(II) Dithiocarbamate Complex: S-Oxygenation and S-Extrusion","Inorganic Chemistry","2004","43","","8301","8309","10.1021/ic048661a","","","0.71073","MoKα","","0.0628","0.0456","","","0.1047","0.115","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312203","9.9237","0.0005","13.1423","0.0007","14.0897","0.0008","71.557","0.001","87.023","0.001","68.832","0.001","1621.54","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H22 F6 N5 O2 P Ru S2 -","- C23 H22 F6 N5 O2 P Ru S2 -","- C46 H44 F12 N10 O4 P2 Ru2 S4 -","2","1","","Szeman Ng; Joseph W. Ziller; Patrick J. Farmer","Multiple Pathways for the Oxygenation of a Ruthenium(II) Dithiocarbamate Complex: S-Oxygenation and S-Extrusion","Inorganic Chemistry","2004","43","","8301","8309","10.1021/ic048661a","","","0.71073","MoKα","","0.0807","0.0612","","","0.1863","0.2028","","","","","","1.173","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312204","19.6122","0.0014","18.277","0.0013","16.1495","0.0012","90","","102.112","0.001","90","","5660","0.7","163","2","163","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26.5 F6 N6.5 O P Ru S -","- C26 H26.5 F6 N6.5 O P Ru S -","- C208 H212 F48 N52 O8 P8 Ru8 S8 -","8","2","","Szeman Ng; Joseph W. Ziller; Patrick J. Farmer","Multiple Pathways for the Oxygenation of a Ruthenium(II) Dithiocarbamate Complex: S-Oxygenation and S-Extrusion","Inorganic Chemistry","2004","43","","8301","8309","10.1021/ic048661a","","","0.71073","MoKα","","0.0739","0.0436","","","0.1026","0.1186","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312205","14.071","0.008","15.545","0.009","15.683","0.009","69.104","0.009","63.934","0.009","75.498","0.009","2861","3","163","2","163","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H24.5 F6 N5 O1.25 P Ru S2 -","- C24 H24.5 F6 N5 O1.25 P Ru S2 -","- C96 H98 F24 N20 O5 P4 Ru4 S8 -","4","2","","Szeman Ng; Joseph W. Ziller; Patrick J. Farmer","Multiple Pathways for the Oxygenation of a Ruthenium(II) Dithiocarbamate Complex: S-Oxygenation and S-Extrusion","Inorganic Chemistry","2004","43","","8301","8309","10.1021/ic048661a","","","0.71073","MoKα","","0.1478","0.0897","","","0.2269","0.2636","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312206","10.654","0.003","33.052","0.011","11.397","0.004","90","","109.18","0.005","90","","3791","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N8 O3 U -","- C42 H42 N8 O3 U -","- C168 H168 N32 O12 U4 -","4","1","","Polly L. Arnold; Alexander J. Blake; Claire Wilson; Jason B. Love","Uranyl Complexation by a Schiff-Base, Polypyrrolic Macrocycle","Inorganic Chemistry","2004","43","","8206","8208","10.1021/ic0487070","","","0.71073","MoKα","","0.0578","0.0523","","","0.1045","0.1066","","","","","","1.231","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312207","10.705","0.002","11.453","0.002","20.445","0.004","87.829","0.003","77.957","0.003","74.044","0.003","2356.5","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H49 N11 O2 U -","- C53 H49 N11 O2 U -","- C106 H98 N22 O4 U2 -","2","1","","Polly L. Arnold; Alexander J. Blake; Claire Wilson; Jason B. Love","Uranyl Complexation by a Schiff-Base, Polypyrrolic Macrocycle","Inorganic Chemistry","2004","43","","8206","8208","10.1021/ic0487070","","","0.71073","MoKα","","0.1039","0.0628","","","0.1379","0.1567","","","","","","0.803","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312208","9.406","0.002","12.145","0.003","8.567","0.002","90","","90","","90","","978.7","0.4","298","2","298","2","","","","","","","","4","I b a m","-I 2 2c","72","","Mercury(I) monofluorophosphate","","- F Hg2 O3 P -","- F Hg2 O3 P -","- F8 Hg16 O24 P8 -","8","0.5","","Matthias Weil; Michael Puchberger; Enrique J. Baran","Preparation and Characterization of Dimercury(I) Monofluorophosphate(V), Hg2PO3F: Crystal Structure, Thermal Behavior, Vibrational Spectra, and Solid-State 31P and 19F NMR Spectra","Inorganic Chemistry","2004","43","","8330","8335","10.1021/ic048741e","","","0.71073","MoKα","","0.0406","0.0353","","","0.0879","0.0909","","","","","","1.068","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312209","12.795","0.004","13.124","0.004","14.338","0.004","89.559","0.004","77.806","0.004","68.619","0.004","2185","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Eu2 N18 C90 H102 * H2 O","","","- C90 H104 Eu2 N18 O -","- C90 H104 Eu2 N18 O -","- C90 H104 Eu2 N18 O -","1","0.5","","Na Pan; Yongzhong Bian; Takamitsu Fukuda; Masaki Yokoyama; Renjie Li; Saburo Neya; Jianzhuang Jiang; Nagao Kobayashi","Homoleptic Lanthanide Triple-Deckers of 5,15-Diazaporphyrin with D2h Symmetry","Inorganic Chemistry","2004","43","","8242","8244","10.1021/ic048744r","","","0.71073","MoKα","","0.0704","0.0535","","","0.1412","0.1584","","","","","","1.081","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312210","10.5464","0.0007","14.9351","0.0009","25.1498","0.0016","86.123","0.001","78.705","0.001","86.78","0.001","3872","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H78 B2 Cl6 F8 P4 Rh2 S4 -","- C75 H78 B2 Cl6 F8 P4 Rh2 S4 -","- C150 H156 B4 Cl12 F16 P8 Rh4 S8 -","2","1","","Maxim V. Ovchinnikov; Aaron M. Brown; Xiaogang Liu; Chad A. Mirkin; Lev N. Zakharov; Arnold L. Rheingold","Heteroligated Metallomacrocycles Generated via the Weak-Link Approach","Inorganic Chemistry","2004","43","","8233","8235","10.1021/ic048785n","","","0.71073","MoKα","","0.0599","0.0454","","","0.1052","0.1129","","","","","","1.024","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312211","13.947","0.002","10.828","0.002","26.508","0.003","90","","92.75","0.001","90","","3998.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triphenylphosphine-P)-(3-Hydroxy-3-(4-methylphenyl)-2-propen dithioate-S,S')copper(I)","","- C46 H39 Cu O P2 S2 -","- C46 H39 Cu O P2 S2 -","- C184 H156 Cu4 O4 P8 S8 -","4","1","","Iván García-Orozco; José G. López-Cortés; M. Carmen Ortega-Alfaro; Rubén Alfredo Toscano; Guillermo Penieres-Carrillo; Cecilio Alvarez-Toledano","Synthesis, Characterization, and Tautomerism of Four Novel Copper(I) Complexes from 3-Hydroxy-3-(p-R-phenyl)-2-propenedithioic Acids","Inorganic Chemistry","2004","43","","8572","8576","10.1021/ic0488132","","","0.71073","MoKα","","0.1351","0.0587","","","0.1028","0.131","","","","","","1.014","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312212","8.4625","0.0006","8.647","0.001","19.918","0.002","90","","90","","90","","1457.5","0.2","293","2","293","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C4 H16 Br4 N2 O2 Pb -","- C4 H16 Br4 N2 O2 Pb -","- C16 H64 Br16 N8 O8 Pb4 -","4","0.5","","Nicolas Mercier; Sylvain Poiroux; Amédée Riou; Patrick Batail","Unique Hydrogen Bonding Correlating with a Reduced Band Gap and Phase Transition in the Hybrid Perovskites (HO(CH2)2NH3)2PbX4 (X = I, Br)","Inorganic Chemistry","2004","43","","8361","8366","10.1021/ic048814u","","x-ray","0.71073","MoKα","","0.0643","0.0364","","","0.058","0.0647","","","","","","1.121","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312213","8.935","0.001","9.056","0.002","10.214","0.003","90","","100.26","0.01","90","","813.3","0.3","293","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H16 I4 N2 O2 Pb -","- C4 H16 I4 N2 O2 Pb -","- C8 H32 I8 N4 O4 Pb2 -","2","0.5","","Nicolas Mercier; Sylvain Poiroux; Amédée Riou; Patrick Batail","Unique Hydrogen Bonding Correlating with a Reduced Band Gap and Phase Transition in the Hybrid Perovskites (HO(CH2)2NH3)2PbX4 (X = I, Br)","Inorganic Chemistry","2004","43","","8361","8366","10.1021/ic048814u","","x-ray","0.71073","MoKα","","","0.0315","","","","0.0697","","","","","","1.002","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312214","8.6876","0.0004","7.3158","0.0004","16.3376","0.0008","90","","93.7285","0.0009","90","","1036.17","0.09","293","2","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H25 F13 N4 O4 U3 -","- C6 F13 N4 O4 U3 -","- C12 F26 N8 O8 U6 -","2","1","","Chih-Min Wang; Chia-Hsien Liao; Hsiu-Mei Lin; Kwang-Hwa Lii","[N(CH2CH2NH3)3][U3O2F13].2H2O: A Novel Organically Templated Mixed-Valent Uranium Oxyfluoride with a Hybrid Network Structure","Inorganic Chemistry","2004","43","","8239","8241","10.1021/ic0488280","","","0.71073","MoKα","","0.0479","0.0463","","","0.123","0.1239","","","","","","1.052","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312215","25.148","0.003","12.0052","0.0016","13.5464","0.0019","90","","99.232","0.003","90","","4036.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 B3 N2 O7 -","- C19 H21 B3 N2 O7 -","- C152 H168 B24 N16 O56 -","8","1","","Gabriela Vargas; Irán Hernández; Herbert Höpfl; María-Eugenia Ochoa; Dolores Castillo; Norberto Farfán; Rosa Santillan; Elizabeth Gómez","Preparation and Structural Characterization of Three Types of Homo- and Heterotrinuclear Boron Complexes: Salen{[B-O-B][O2BOH]}, Salen{[B-O-B][O2BPh]}, and Salen{[B-O-B][O2P(O)Ph]}","Inorganic Chemistry","2004","43","","8490","8500","10.1021/ic048862e","","","0.71073","MoKα","","0.1265","0.0797","","","0.1641","0.1851","","","","","","1.081","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312216","9.9136","0.0012","10.1719","0.0012","23.553","0.003","90","","90","","90","","2375.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 B3 N3 O6 -","- C25 H26 B3 N3 O6 -","- C100 H104 B12 N12 O24 -","4","1","","Gabriela Vargas; Irán Hernández; Herbert Höpfl; María-Eugenia Ochoa; Dolores Castillo; Norberto Farfán; Rosa Santillan; Elizabeth Gómez","Preparation and Structural Characterization of Three Types of Homo- and Heterotrinuclear Boron Complexes: Salen{[B-O-B][O2BOH]}, Salen{[B-O-B][O2BPh]}, and Salen{[B-O-B][O2P(O)Ph]}","Inorganic Chemistry","2004","43","","8490","8500","10.1021/ic048862e","","","0.71073","MoKα","","0.0422","0.04","","","0.0837","0.0846","","","","","","1.178","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312217","19.79","0.003","14.4368","0.0019","22.334","0.003","90","","109.441","0.002","90","","6017.1","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H31.5 B3 N5.5 O6 -","- C31 H31.5 B3 N5.5 O6 -","- C248 H252 B24 N44 O48 -","8","1","","Gabriela Vargas; Irán Hernández; Herbert Höpfl; María-Eugenia Ochoa; Dolores Castillo; Norberto Farfán; Rosa Santillan; Elizabeth Gómez","Preparation and Structural Characterization of Three Types of Homo- and Heterotrinuclear Boron Complexes: Salen{[B-O-B][O2BOH]}, Salen{[B-O-B][O2BPh]}, and Salen{[B-O-B][O2P(O)Ph]}","Inorganic Chemistry","2004","43","","8490","8500","10.1021/ic048862e","","","0.71073","MoKα","","0.0996","0.0909","","","0.1768","0.1809","","","","","","1.291","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312218","16.6549","0.0002","19.729","0.0002","25.995","0.0005","90","","95.4596","0.0009","90","","8502.8","0.2","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- Cs5 H26 K3 Na4 O82 Pd2 Si2 W19 -","- Cs5 K2.5 Na O85 Pd2 Si2 W19 -","- Cs20 K10 Na4 O340 Pd8 Si8 W76 -","4","1","","Li-Hua Bi; Ulrich Kortz; Bineta Keita; Louis Nadjo; Horst Borrmann","Palladium(II)-Substituted Tungstosilicate [Cs2K(H2O)7Pd2WO(H2O)(A-α-SiW9O34)2]9-","Inorganic Chemistry","2004","43","","8367","8372","10.1021/ic048864z","","","0.71073","MoKα","","0.0623","0.0518","","","0.1195","0.1261","","","","","","1.101","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312219","13.1057","0.0007","16.3648","0.0008","16.8605","0.0008","90","","90","","90","","3616.1","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H7 Mn Mo O7 S2 -","- C16 H7 Mn Mo O7 S2 -","- C128 H56 Mn8 Mo8 O56 S16 -","8","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoKα","","0.0508","0.0394","","","0.1017","0.1093","","","","","","0.952","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312220","8.7934","0.0004","21.9625","0.0009","12.7233","0.0006","90","","97.497","0.001","90","","2436.18","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Mn Mo O8 S2 -","- C20 H19 Mn Mo O8 S2 -","- C80 H76 Mn4 Mo4 O32 S8 -","4","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoKα","","0.0314","0.0267","","","0.0637","0.0664","","","","","","1.025","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312221","16.9605","0.0007","11.0807","0.0004","24.0844","0.0009","90","","90","","90","","4526.3","0.3","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H7 Cl4 Mn Mo O7 S2 -","- C17 H7 Cl4 Mn Mo O7 S2 -","- C136 H56 Cl32 Mn8 Mo8 O56 S16 -","8","2","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoKα","","0.04","0.0335","","","0.0723","0.0753","","","","","","1.018","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312222","9.5384","0.0004","14.5266","0.0006","17.6895","0.0007","90","","91.347","0.001","90","","2450.39","0.17","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 Mn Mo O8 S2 -","- C20 H17 Cl2 Mn Mo O8 S2 -","- C80 H68 Cl8 Mn4 Mo4 O32 S8 -","4","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoKα","","0.0408","0.0309","","","0.0701","0.0741","","","","","","1.038","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312223","11.8389","0.0009","10.8791","0.0008","12.8949","0.001","90","","107.068","0.002","90","","1587.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Fe2 O8 S2 -","- C12 H4 Fe2 O8 S2 -","- C48 H16 Fe8 O32 S8 -","4","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoKα","","0.0342","0.0293","","","0.0696","0.072","","","","","","1.051","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312224","17.4569","0.0001","6.3853","0.0004","15.5109","0.0005","90","","114.103","0.001","90","","1578.22","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H2 Fe2 O8 S2 -","- C12 H2 Fe2 O8 S2 -","- C48 H8 Fe8 O32 S8 -","4","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoKα","","0.0947","0.0638","","","0.1291","0.143","","","","","","1.005","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312225","14.0285","0.0003","14.0285","0.0003","38.4236","0.0007","90","","90","","90","","7561.7","0.3","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C33 H29 Fe2 O8 P S2 -","- C31.768 H25.92 Fe2 O7.692 P S2 -","- C254.144 H207.36 Fe16 O61.536 P8 S16 -","8","2","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoK\α","","0.0617","0.0548","","","0.1559","0.1609","","","","","","1.055","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312226","9.4928","0.0003","12.943","0.0005","18.3092","0.0009","110.392","0.002","95.32","0.003","93.468","0.003","2089.1","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Fe2 O7 P2 S2 -","- C46 H36 Fe2 O7 P2 S2 -","- C92 H72 Fe4 O14 P4 S4 -","2","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoKα","","0.0721","0.0506","","","0.1039","0.1145","","","","","","1.047","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312227","8.3341","0.0002","37.7094","0.0009","11.7195","0.0003","90","","90.3959","0.0009","90","","3683.05","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","yttrium potassium squarate hexahydrate","","","- C24 H28 K2 O36 Y2 -","- C24 H28 K2 O36 Y2 -","- C96 H112 K8 O144 Y8 -","4","0.5","","Nathalie Mahé; Thierry Bataille","Synthesis, Crystal Structure from Single-Crystal and Powder X-ray Diffraction Data, and Thermal Behavior of Mixed Potassium Lanthanide Squarates: Thermal Transformations of Layered [Ln(H2O)6]K(H2C4O4)(C4O4)2 into Pillared LnK(C4O4)2 (Ln = Y, La, Gd, Er)","Inorganic Chemistry","2004","43","","8379","8386","10.1021/ic0488839","","","0.71069","MoKα","","0.0998","0.0758","","","0.1796","0.1907","","","","","","1.142","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4312228","25.072","0.001","12.5882","0.0005","14.6516","0.0006","90","","104.093","0.001","90","","4485","0.3","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tBuEtLDBFTi2(NMe2)6","","","- C38 H70 N10 O Ti2 -","- C38 H70 N10 O Ti2 -","- C152 H280 N40 O4 Ti8 -","4","1","","Michael J. McNevin; John R. Hagadorn","Dititanium Complexes of Preorganized Binucleating Bis(amidinates)","Inorganic Chemistry","2004","43","","8547","8554","10.1021/ic0488841","","","0.71073","MoKα","","0.1104","0.0631","","","0.1552","0.1756","","","","","","0.994","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312229","13.2566","0.0019","13.2566","0.0019","23.143","0.005","90","","90","","120","","3522.2","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","iPrLXanTi2(NMe2)6","","","- C41 H76 N10 O Ti2 -","- C41 H76 N10 O Ti2 -","- C123 H228 N30 O3 Ti6 -","3","0.5","","Michael J. McNevin; John R. Hagadorn","Dititanium Complexes of Preorganized Binucleating Bis(amidinates)","Inorganic Chemistry","2004","43","","8547","8554","10.1021/ic0488841","","","0.71073","MoKα","","0.0534","0.0452","","","0.1154","0.1215","","","","","","1.021","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312230","17.984","0.0008","14.0692","0.0006","19.3685","0.0008","90","","101.934","0.001","90","","4794.7","0.4","148","2","148","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tBuEtLXanTi2(NMe2)6","","","- C41 H76 N10 O Ti2 -","- C41 H76 N10 O Ti2 -","- C164 H304 N40 O4 Ti8 -","4","1","","Michael J. McNevin; John R. Hagadorn","Dititanium Complexes of Preorganized Binucleating Bis(amidinates)","Inorganic Chemistry","2004","43","","8547","8554","10.1021/ic0488841","","","0.71073","MoKα","","0.0734","0.0586","","","0.1523","0.1706","","","","","","1.06","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312231","13.1241","0.0006","17.5798","0.0008","19.5927","0.0008","74.694","0.001","77.709","0.001","79.264","0.001","4219.3","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","(iPr4Xan)Ti2(NMe2)2Cl4(benzene)0.5","","","- C36 H55 Cl4 N6 O Ti2 -","- C36 H55 Cl4 N6 O Ti2 -","- C144 H220 Cl16 N24 O4 Ti8 -","4","2","","Michael J. McNevin; John R. Hagadorn","Dititanium Complexes of Preorganized Binucleating Bis(amidinates)","Inorganic Chemistry","2004","43","","8547","8554","10.1021/ic0488841","","","0.71073","MoKα","","0.1079","0.0691","","","0.1763","0.2004","","","","","","1.025","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312232","10.9048","0.0003","24.8225","0.0006","13.9014","0.0003","90","","92.788","0.001","90","","3758.44","0.16","141","2","141","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(iPr4Xan)Ti2Cp2Cl2","","","- C39 H50 Cl2 N4 O Ti2 -","- C39 H50 Cl2 N4 O Ti2 -","- C156 H200 Cl8 N16 O4 Ti8 -","4","1","","Michael J. McNevin; John R. Hagadorn","Dititanium Complexes of Preorganized Binucleating Bis(amidinates)","Inorganic Chemistry","2004","43","","8547","8554","10.1021/ic0488841","","","0.71073","MoKα","","0.0591","0.0403","","","0.0982","0.1054","","","","","","1.024","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312233","24.6997","0.001","12.8143","0.0005","12.1194","0.0005","90","","90","","90","","3835.9","0.3","143","2","143","2","","","","","","","","5","P n m a","-P 2ac 2n","62","iPrLDBFTi2Cp2Me4","","","- C40 H56 N4 O Ti2 -","- C40 H56 N4 O Ti2 -","- C160 H224 N16 O4 Ti8 -","4","0.5","","Michael J. McNevin; John R. Hagadorn","Dititanium Complexes of Preorganized Binucleating Bis(amidinates)","Inorganic Chemistry","2004","43","","8547","8554","10.1021/ic0488841","","","0.71073","MoKα","","0.1003","0.0522","","","0.1251","0.1438","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312234","16.977","0.003","8.126","0.002","20.628","0.005","90","0","90","0","90","0","2845.7","1.1","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H8 N6 -","- C16 H8 N6 -","- C128 H64 N48 -","8","2","","Maria Pia Donzello; Zhongping Ou; Fabrizio Monacelli; Giampaolo Ricciardi; Corrado Rizzoli; Claudio Ercolani; Karl M. Kadish","Tetra-2,3-pyrazinoporphyrazines with Externally Appended Pyridine Rings. 1. Tetrakis-2,3-[5,6-di(2-pyridyl)pyrazino]porphyrazine: A New Macrocycle with Remarkable Electron-Deficient Properties","Inorganic Chemistry","2004","43","","8626","8636","10.1021/ic048909w","","","1.54178","CuKα","","0.0429","0.035","","0.0961","","0.096","","","0.909","","","0.945","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312235","20.336","0.0018","9.899","0.0008","15.4056","0.0013","90","","91.927","0.01","90","","3099.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H44 Cu2 Mg N4 O15 -","- C22 H44 Cu2 Mg N4 O15 -","- C88 H176 Cu8 Mg4 N16 O60 -","4","0.5","","Jean-Pierre Costes; Juan Modesto Clemente-Juan; Françoise Dahan; Julie Milon","Unprecedented (Cu2Ln)n Complexes (Ln = Gd3+, Tb3+): A New ""Single Chain Magnet""","Inorganic Chemistry","2004","43","","8200","8202","10.1021/ic048921o","","","0.71073","MoKα","","0.0335","0.0287","","","0.0409","0.0413","","","","","","1.087","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312236","10.06","0.003","10.06","0.003","16.021","0.004","90","","90","","90","","1621.4","0.8","296","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 N12 Ru2 -","- C28 H48 Cl2 N12 Ru2 -","- C56 H96 Cl4 N24 Ru4 -","2","0.125","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0273","0.0258","","","0.0683","0.0701","","","","","","1.091","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312237","9.9206","0.0013","9.9206","0.0013","15.886","0.002","90","","90","","90","","1563.5","0.4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 N12 Ru2 -","- C28 H48 Cl2 N12 Ru2 -","- C56 H96 Cl4 N24 Ru4 -","2","0.125","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0283","0.0277","","","0.0693","0.07","","","","","","1.066","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312238","9.905","0.0009","9.905","0.0009","15.862","0.0015","90","","90","","90","","1556.2","0.2","50","2","50","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 N12 Ru2 -","- C28 H48 Cl2 N12 Ru2 -","- C56 H96 Cl4 N24 Ru4 -","2","0.125","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0297","0.0289","","","0.0693","0.0698","","","","","","1.071","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312239","9.891","0.0009","9.891","0.0009","15.8447","0.0015","90","","90","","90","","1550.1","0.2","27","2","28","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C28 H48 Cl2 N12 Ru2 -","- C28 H48 Cl2 N12 Ru2 -","- C56 H96 Cl4 N24 Ru4 -","2","0.125","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0305","0.0298","","","0.0667","0.0671","","","","","","1.096","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312240","9.4194","0.0008","15.5149","0.0012","13.613","0.0011","90","","95.326","0.002","90","","1980.8","0.3","296","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 F6 N12 O6 Ru2 S2 -","- C30 H48 F6 N12 O6 Ru2 S2 -","- C60 H96 F12 N24 O12 Ru4 S4 -","2","0.5","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0493","0.0455","","","0.1225","0.1279","","","","","","1.066","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312241","9.3687","0.0005","15.4962","0.0009","13.5517","0.0008","90","","95.241","0.001","90","","1959.2","0.19","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 F6 N12 O6 Ru2 S2 -","- C30 H48 F6 N12 O6 Ru2 S2 -","- C60 H96 F12 N24 O12 Ru4 S4 -","2","0.5","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0411","0.0355","","","0.09","0.0955","","","","","","1.049","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312242","15.5202","0.0009","15.4928","0.0009","17.0295","0.001","90","","110.493","0.001","90","","3835.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 F6 N12 O6 Ru2 S2 -","- C30 H48 F6 N12 O6 Ru2 S2 -","- C120 H192 F24 N48 O24 Ru8 S8 -","4","1","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0681","0.0593","","","0.1416","0.1535","","","","","","1.114","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312243","15.4798","0.0012","15.4824","0.0012","17.0111","0.0013","90","","110.439","0.001","90","","3820.3","0.5","50","2","50","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 F6 N12 O6 Ru2 S2 -","- C30 H48 F6 N12 O6 Ru2 S2 -","- C120 H192 F24 N48 O24 Ru8 S8 -","4","1","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0682","0.0615","","","0.1459","0.1549","","","","","","1.17","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312244","15.477","0.0009","15.4839","0.0009","17.003","0.001","90","","110.465","0.001","90","","3817.5","0.4","28","2","27","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 F6 N12 O6 Ru2 S2 -","- C30 H48 F6 N12 O6 Ru2 S2 -","- C120 H192 F24 N48 O24 Ru8 S8 -","4","1","","F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson","Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting","Inorganic Chemistry","2004","43","","8373","8378","10.1021/ic048946n","","","0.71073","MoKα","","0.0676","0.0611","","","0.1453","0.1536","","","","","","1.157","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312245","20.76","0.0016","12.3207","0.0009","18.0165","0.0014","90","","90","","90","","4608.2","0.6","160","2","160","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H68 O4 P2 Si4 Sr -","- C36 H68 O4 P2 Si4 Sr -","- C144 H272 O16 P8 Si16 Sr4 -","4","1","","Stuart Blair; Keith Izod; William Clegg; Ross W. Harrington","Complexes of the Heavier Alkaline Earth Metals Ca, Sr, and Ba with O-Functionalized Phosphanide Ligands","Inorganic Chemistry","2004","43","","8526","8531","10.1021/ic048978a","","","0.71073","MoKα","","0.0411","0.0291","","","0.058","0.0607","","","","","","0.954","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312246","14.0099","0.0005","18.5854","0.0007","20.2378","0.0008","90","","103.401","0.002","90","","5126","0.3","160","2","160","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H76 Ba O5 P2 Si4 -","- C40 H76 Ba O5 P2 Si4 -","- C160 H304 Ba4 O20 P8 Si16 -","4","1","","Stuart Blair; Keith Izod; William Clegg; Ross W. Harrington","Complexes of the Heavier Alkaline Earth Metals Ca, Sr, and Ba with O-Functionalized Phosphanide Ligands","Inorganic Chemistry","2004","43","","8526","8531","10.1021/ic048978a","","","0.71073","MoKα","","0.0309","0.0295","","","0.0627","0.0631","","","","","","1.145","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312247","12.2184","0.0018","17.818","0.003","12.5916","0.0018","90","","118.471","0.002","90","","2409.8","0.6","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H72 O4 P2 Si4 Sr -","- C38 H72 O4 P2 Si4 Sr -","- C76 H144 O8 P4 Si8 Sr2 -","2","0.5","","Stuart Blair; Keith Izod; William Clegg; Ross W. Harrington","Complexes of the Heavier Alkaline Earth Metals Ca, Sr, and Ba with O-Functionalized Phosphanide Ligands","Inorganic Chemistry","2004","43","","8526","8531","10.1021/ic048978a","","","0.71073","MoKα","","0.107","0.0782","","","0.1942","0.2113","","","","","","1","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312248","9.4765","0.0006","11.7093","0.0008","12.996","0.0008","107.935","0.002","100.147","0.002","111.752","0.002","1203.59","0.14","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H72 Ba O4 P2 Si4 -","- C38 H72 Ba O4 P2 Si4 -","- C38 H72 Ba O4 P2 Si4 -","1","0.5","","Stuart Blair; Keith Izod; William Clegg; Ross W. Harrington","Complexes of the Heavier Alkaline Earth Metals Ca, Sr, and Ba with O-Functionalized Phosphanide Ligands","Inorganic Chemistry","2004","43","","8526","8531","10.1021/ic048978a","","","0.71073","MoKα","","0.0339","0.0282","","","0.07","0.073","","","","","","1.076","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312249","12.259","0.008","17.56","0.01","12.588","0.014","90","","118.796","0.018","90","","2375","3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H72 Ca O4 P2 Si4 -","- C38 H72 Ca O4 P2 Si4 -","- C76 H144 Ca2 O8 P4 Si8 -","2","0.5","","Stuart Blair; Keith Izod; William Clegg; Ross W. Harrington","Complexes of the Heavier Alkaline Earth Metals Ca, Sr, and Ba with O-Functionalized Phosphanide Ligands","Inorganic Chemistry","2004","43","","8526","8531","10.1021/ic048978a","","","0.71073","MoKα","","0.0763","0.0616","","","0.159","0.1721","","","","","","1.072","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312250","13.817","0.002","15.205","0.002","17.044","0.002","111.732","0.006","111.661","0.005","94.909","0.006","2987.2","0.7","230","2","230","2","","","","","","","","6","P -1","-P 1","2","Cadmium nitrate-copper(II) pyridylacetylacetonate (2:3) methanol solvate hydrate","","","- C63 H76 Cd2 Cu3 N10 O29 -","- C63 H60 Cd2 Cu3 N10 O29 -","- C63 H60 Cd2 Cu3 N10 O29 -","1","0.5","","Banglin Chen; Frank R. Fronczek; Andrew W. Maverick","Porous Cu-Cd Mixed-Metal-Organic Frameworks Constructed from Cu(Pyac)2{Bis[3-(4-pyridyl)pentane-2,4-dionato]copper(II)}","Inorganic Chemistry","2004","43","","8209","8211","10.1021/ic048992n","","","0.71073","MoKα","","0.0699","0.0484","","","0.1481","0.1608","","","","","","1.006","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312251","21.768","0.007","21.903","0.008","7.817","0.003","90","","106.04","0.014","90","","3582","2","100","","100","","","","","","","","local laboratory","7","C 1 2/m 1","-C 2y","12","Cadmium chloride-copper(II) pyridylacetylacetonate (1:2) tetrahydrofuran solvate hydrate'","","","- C64 H89 Cd Cl2 Cu2 N4 O14.5 -","- C64 H88 Cd Cl2 Cu2 N4 O14.5 -","- C128 H176 Cd2 Cl4 Cu4 N8 O29 -","2","0.25","","Banglin Chen; Frank R. Fronczek; Andrew W. Maverick","Porous Cu-Cd Mixed-Metal-Organic Frameworks Constructed from Cu(Pyac)2{Bis[3-(4-pyridyl)pentane-2,4-dionato]copper(II)}","Inorganic Chemistry","2004","43","","8209","8211","10.1021/ic048992n","","","0.71073","MoKα","","0.081","0.065","","","0.181","0.195","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312252","12.0778","0.0002","22.9808","0.0006","13.1273","0.0003","90","","97.835","0.002","90","","3609.57","0.14","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound 6","","","- C56 H77 Br N12 Na3 Ni4 O21.5 -","- C56 H77 Br N12 Na3 Ni4 O21.5 -","- C112 H154 Br2 N24 Na6 Ni8 O43 -","2","1","","Håkan Carlsson; Matti Haukka; Azzedine Bousseksou; Jean-Marc Latour; Ebbe Nordlander","Nickel Complexes of Carboxylate-Containing Polydentate Ligands as Models for the Active Site of Urease","Inorganic Chemistry","2004","43","","8252","8262","10.1021/ic049048u","","","0.71073","MoKα","","0.0545","0.0478","","","0.1144","0.1174","","","","","","1.103","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4312253","12.13","0.002","15.073","0.003","23.789","0.005","98.62","0.03","101.38","0.03","113.55","0.03","3780.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H73 Bi O25 Ti4 -","- C63 H73 Bi O25 Ti4 -","- C126 H146 Bi2 O50 Ti8 -","2","1","","John H. Thurston; Arvind Kumar; Cristina Hofmann; Kenton H. Whitmire","Heterobimetallic Bi(III)-Ti(IV) Coordination Complexes: Synthesis and Solid-State Structures of BiTi4(sal)6(μ-OiPr)3(OiPr)4, and the Cyclic Isomers Bi4Ti4(sal)10(μ-OiPr)4(OiPr)4 and Bi8Ti8(sal)20(μ-OiPr)8(OiPr)8","Inorganic Chemistry","2004","43","","8427","8436","10.1021/ic049061e","","","0.71073","MoKα","","0.1326","0.0723","","","0.1876","0.2166","","","","","","0.902","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312254","13.551","0.003","14.397","0.003","16.376","0.003","66.7","0.03","76.71","0.03","79.71","0.03","2841.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H96 Bi4 O38 Ti4 -","- C94 H96 Bi4 O38 Ti4 -","- C94 H96 Bi4 O38 Ti4 -","1","0.5","","John H. Thurston; Arvind Kumar; Cristina Hofmann; Kenton H. Whitmire","Heterobimetallic Bi(III)-Ti(IV) Coordination Complexes: Synthesis and Solid-State Structures of BiTi4(sal)6(μ-OiPr)3(OiPr)4, and the Cyclic Isomers Bi4Ti4(sal)10(μ-OiPr)4(OiPr)4 and Bi8Ti8(sal)20(μ-OiPr)8(OiPr)8","Inorganic Chemistry","2004","43","","8427","8436","10.1021/ic049061e","","","0.71073","MoKα","","0.063","0.046","","","0.1265","0.1374","","","","","","0.71","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312255","24.115","0.005","29.755","0.006","35.369","0.007","90","","108.59","0.03","90","","24055","9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H192 Bi8 O76 Ti8 -","- C188 H192 Bi8 O76 Ti8 -","- C752 H768 Bi32 O304 Ti32 -","4","0.5","","John H. Thurston; Arvind Kumar; Cristina Hofmann; Kenton H. Whitmire","Heterobimetallic Bi(III)-Ti(IV) Coordination Complexes: Synthesis and Solid-State Structures of BiTi4(sal)6(μ-OiPr)3(OiPr)4, and the Cyclic Isomers Bi4Ti4(sal)10(μ-OiPr)4(OiPr)4 and Bi8Ti8(sal)20(μ-OiPr)8(OiPr)8","Inorganic Chemistry","2004","43","","8427","8436","10.1021/ic049061e","","","0.71073","MoKα","","0.0843","0.039","","","0.0722","0.0786","","","","","","0.766","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312256","29.6755","0.0004","29.6755","0.0004","6.9857","0.0001","90","","90","","90","","6151.85","0.15","293","2","293","2","","","","","","","","7","I 4 c m","I 4 -2c","108","","","","- C20 H25.5 Cl1.5 Cu2 I3.38 N4 O13.5 -","- C20 H16 Cl1.5 Cu2 I3.375 N4 O13.5 -","- C160 H128 Cl12 Cu16 I27 N32 O108 -","8","0.5","","Guanghua Li; Zhan Shi; Xiaomin Liu; Zhimin Dai; Lu Gao; Shouhua Feng","A New Inorganic-Organic Hybrid Copper Iodate with Potentially Large Void Volume","Inorganic Chemistry","2004","43","","8224","8226","10.1021/ic049098z","","","0.71073","MoKα","","0.029","0.0272","","","0.0771","0.0786","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312257","10.343","0.003","10.363","0.003","13.892","0.004","80.29","0.005","75.769","0.005","81.557","0.005","1414","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetra(mu-di(anisyl)formamidinato)diruthenium(II,II)","","- C60 H61 N8 O8.5 Ru2 -","- C60 H60 N8 O8.5 Ru2 -","- C60 H60 N8 O8.5 Ru2 -","1","0.5","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.0457","0.0396","","","0.1052","0.1121","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312258","26.3669","0.0016","13.7031","0.0008","18.7399","0.0011","90","","107.79","0.001","90","","6447.1","0.7","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{tris(mu-acetato)-[mu-(2,6-xylyl)formamidinato])}diruthenium(II-III) chloride-tetrahydrofurane tetrahydrofurane solvate","","- C29 H40 Cl N2 O7.5 Ru2 -","- C29 H40 Cl N2 O7.5 Ru2 -","- C232 H320 Cl8 N16 O60 Ru16 -","8","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.0343","0.0285","","","0.0713","0.0758","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312259","14.81","0.002","14.894","0.002","22.232","0.003","90","","90","","90","","4903.9","1.1","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{tris-[mu-(acetato)]-[mu-(di(2,6-xylyl)formamidinato)]-diruthenium(II,III)} -[di(2,6-xylyl)formamidine)] chloride toluene solvate","","- C47 H55 Cl N4 O6 Ru2 -","- C47 H55 Cl N4 O6 Ru2 -","- C188 H220 Cl4 N16 O24 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.067","0.0557","","","0.1366","0.1471","","","","","","1.119","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312260","11.3515","0.0007","24.2069","0.0014","15.9844","0.001","90","","106.622","0.001","90","","4208.7","0.4","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-{bis(mu-acetato)-bis[mu-(2,6-xylyl)formamidinato])}diruthenium(II-III) chloride-tetrahydrofurane","","- C42 H52 Cl N4 O5 Ru2 -","- C42 H52 Cl N4 O5 Ru2 -","- C168 H208 Cl4 N16 O20 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.0452","0.0348","","","0.0818","0.088","","","","","","1.029","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312261","10.5857","0.0004","10.7264","0.0004","22.1132","0.0007","85.808","0.001","76.785","0.001","85.183","0.001","2431.99","0.15","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","trans-{[bis(mu-acetato)]-bis[(mu-di(xyxly)formamidinato)]diruthenium(II,III)} chloride 2-toluene solvate","","- C52 H60 Cl N4 O4 Ru2 -","- C52 H60 Cl N4 O4 Ru2 -","- C104 H120 Cl2 N8 O8 Ru4 -","2","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.0438","0.0371","","","0.0987","0.1032","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312262","13.1343","0.0006","13.1343","0.0006","16.5787","0.0016","90","","90","","90","","2860","0.3","213","2","213","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.0276","0.0233","","","0.062","0.066","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312263","25.9706","0.0009","25.9706","0.0009","62.12","0.003","90","","90","","120","","36285","2","213","2","213","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","bis(chloro)-{trans-bis(mu-acetato)-bis(mu-methoxo)diruthenium(III,III) tetrakis[di(p-anisyl)formamidine)]} methanol solvate","","- C70 H92 Cl2 N8 O18 Ru2 -","- C70 H72 Cl1.99333 N8 O18 Ru2 -","- C1260 H1296 Cl35.88 N144 O324 Ru36 -","18","0.5","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.0834","0.0596","","","0.164","0.1838","","","","","","1.103","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312264","12.31","0.002","17.708","0.003","15.197","0.002","90","","109.65","0.01","90","","3119.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl4 N2 P2 Tc -","- C29 H30 Cl4 N2 P2 Tc -","- C116 H120 Cl16 N8 P8 Tc4 -","4","1","","Francesco Tisato; Fiorenzo Refosco; Marina Porchia; Cristina Bolzati; Giuliano Bandoli; Alessandro Dolmella; Adriano Duatti; Alessandra Boschi; Christian M. Jung; Hans-Juergen Pietzsch; Werner Kraus","The Crucial Role of the Diphosphine Heteroatom X in the Stereochemistry and Stabilization of the Substitution-Inert [M(N)(PXP)]2+ Metal Fragments (M = Tc, Re; PXP = Diphosphine Ligand)","Inorganic Chemistry","2004","43","","8617","8625","10.1021/ic049139r","","","0.71073","MoKα","","0.0582","0.0342","","","0.0666","0.0747","","","","","","0.823","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312265","12.161","0.002","10.814","0.002","24.676","0.005","90","","101.93","0.03","90","","3175","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl2 N2 P2 S Tc -","- C30 H31 Cl2 N2 P2 S Tc -","- C120 H124 Cl8 N8 P8 S4 Tc4 -","4","1","","Francesco Tisato; Fiorenzo Refosco; Marina Porchia; Cristina Bolzati; Giuliano Bandoli; Alessandro Dolmella; Adriano Duatti; Alessandra Boschi; Christian M. Jung; Hans-Juergen Pietzsch; Werner Kraus","The Crucial Role of the Diphosphine Heteroatom X in the Stereochemistry and Stabilization of the Substitution-Inert [M(N)(PXP)]2+ Metal Fragments (M = Tc, Re; PXP = Diphosphine Ligand)","Inorganic Chemistry","2004","43","","8617","8625","10.1021/ic049139r","","","0.71073","MoKα","","0.0637","0.0473","","","0.1138","0.1272","","","","","","1.123","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312266","13.981","0.003","12.127","0.002","18.355","0.004","90","","95.31","0.03","90","","3098.7","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H33 Cl2 N2 O0.5 P2 Re -","- C30 Cl2 N2 O P2 Re -","- C120 Cl8 N8 O4 P8 Re4 -","4","0.5","","Francesco Tisato; Fiorenzo Refosco; Marina Porchia; Cristina Bolzati; Giuliano Bandoli; Alessandro Dolmella; Adriano Duatti; Alessandra Boschi; Christian M. Jung; Hans-Juergen Pietzsch; Werner Kraus","The Crucial Role of the Diphosphine Heteroatom X in the Stereochemistry and Stabilization of the Substitution-Inert [M(N)(PXP)]2+ Metal Fragments (M = Tc, Re; PXP = Diphosphine Ligand)","Inorganic Chemistry","2004","43","","8617","8625","10.1021/ic049139r","","","0.71073","MoKα","","0.0743","0.0622","","","0.1732","0.1822","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312267","24.289","0.005","46.879","0.009","13.499","0.002","90","","90","","90","","15371","5","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","p-tert.Butylcalix[4]arene nitrido molybdate (VI) Tetra(ethyl)ammonium salt","","","- C80 H109.5 Mo1.5 N5.5 O6 -","- C80 H109.5 Mo1.5 N5.5 O6 -","- C640 H876 Mo12 N44 O48 -","8","1","","Udo Radius; J. Attner","The (Calix[4]arene)chloromolybdate(IV) Anion [MoCl(Calix)]-: A Convenient Entry into Molybdenum Calix[4]arene Chemistry","Inorganic Chemistry","2004","43","","8587","8599","10.1021/ic049155o","","","0.56087","AgKα","","0.106","0.0647","","","0.1609","0.1944","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312268","16.205","0.001","13.25","0.001","25.903","0.001","90","","102.761","0.006","90","","5424.4","0.6","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","p-tert.Butylcalix[4]arene chloro molybdate (IV) Tetra(ethyl)ammonium salt","","","- C59 H79 Cl Mo N2 O4 -","- C59 H79 Cl Mo N2 O4 -","- C236 H316 Cl4 Mo4 N8 O16 -","4","1","","Udo Radius; J. Attner","The (Calix[4]arene)chloromolybdate(IV) Anion [MoCl(Calix)]-: A Convenient Entry into Molybdenum Calix[4]arene Chemistry","Inorganic Chemistry","2004","43","","8587","8599","10.1021/ic049155o","","","0.56087","AgKα","","0.0633","0.0441","","","0.1101","0.1226","","","","","","1.043","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312269","12.777","0.003","18.352","0.004","24.604","0.005","90","","90","","90","","5769","2","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","p-tert.Butylcalix[4]arene tri(methyl)phosphine molybdenum(IV)","","","- C58 H73 Mo N O4 P -","- C58 H73 Mo N O4 P -","- C232 H292 Mo4 N4 O16 P4 -","4","1","","Udo Radius; J. Attner","The (Calix[4]arene)chloromolybdate(IV) Anion [MoCl(Calix)]-: A Convenient Entry into Molybdenum Calix[4]arene Chemistry","Inorganic Chemistry","2004","43","","8587","8599","10.1021/ic049155o","","","0.71073","MoKα","","0.0848","0.0634","","","0.1666","0.1782","","","","","","0.985","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312270","19.024","0.004","12.263","0.003","20.14","0.004","90","","109.84","0.03","90","","4419.6","1.9","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","p-tert.Butylcalix[4]arene pyridine molybdenum(IV)","","","- C51 H60 Mo N2 O4 -","- C51 H60 Mo N2 O4 -","- C204 H240 Mo4 N8 O16 -","4","1","","Udo Radius; J. Attner","The (Calix[4]arene)chloromolybdate(IV) Anion [MoCl(Calix)]-: A Convenient Entry into Molybdenum Calix[4]arene Chemistry","Inorganic Chemistry","2004","43","","8587","8599","10.1021/ic049155o","","","0.71073","MoKα","","0.1294","0.0684","","","0.1296","0.163","","","","","","1.122","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312271","12.732","0.003","14.487","0.003","16.634","0.003","77.47","0.03","67.54","0.03","84.5","0.03","2767.6","1.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","p-tert.Butylcalix[4]arene di(phenyldiazomethane molybdenum(VI)","","","- C63 H71 Mo N5 O4 -","- C63 H71 Mo N5 O4 -","- C126 H142 Mo2 N10 O8 -","2","1","","Udo Radius; J. Attner","The (Calix[4]arene)chloromolybdate(IV) Anion [MoCl(Calix)]-: A Convenient Entry into Molybdenum Calix[4]arene Chemistry","Inorganic Chemistry","2004","43","","8587","8599","10.1021/ic049155o","","","0.71073","MoKα","","0.073","0.0657","","","0.1731","0.1816","","","","","","1.063","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312272","18.45","0.004","12.621","0.003","20.521","0.004","90","","108.46","0.03","90","","4532.6","1.9","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","p-tert.Butylcalix[4]arene phenylimido molybdenum(IV)","","","- C52 H60 Mo N2 O4 -","- C52 H60 Mo N2 O4 -","- C208 H240 Mo4 N8 O16 -","4","1","","Udo Radius; J. Attner","The (Calix[4]arene)chloromolybdate(IV) Anion [MoCl(Calix)]-: A Convenient Entry into Molybdenum Calix[4]arene Chemistry","Inorganic Chemistry","2004","43","","8587","8599","10.1021/ic049155o","","","0.56087","AgKα","","0.1027","0.0544","","","0.1201","0.1434","","","","","","1.02","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312273","25.0624","0.0002","13.6912","0.0002","33.6533","0.0004","90","","107.386","0.005","90","","11020","0.4","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H54 F12 N6 O P2 Ru -","- C52 H53 F12 N6 O P2 Ru -","- C416 H424 F96 N48 O8 P16 Ru8 -","8","1","","Sylvestre Bonnet; Jean-Paul Collin; Jean-Pierre Sauvage; Emma Schofield","Photochemical Expulsion of the Neutral Monodentate Ligand L in Ru(Terpy*)(Diimine)(L)2+: A Dramatic Effect of the Steric Properties of the Spectator Diimine Ligand","Inorganic Chemistry","2004","43","","8346","8354","10.1021/ic0491736","","","0.71073","Mo-Kα","","0.136","0.062","","0.203","","0.087","","","1.245","","","1.143","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312274","14.3343","0.0005","15.8785","0.0005","15.9528","0.0006","108.482","0.005","102.042","0.005","96.712","0.005","3301.7","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H138 F24 N12 O9 P4 Ru2 -","- C120 H86 F24 N12 O9 P4 Ru2 -","- C120 H86 F24 N12 O9 P4 Ru2 -","1","0.5","","Sylvestre Bonnet; Jean-Paul Collin; Jean-Pierre Sauvage; Emma Schofield","Photochemical Expulsion of the Neutral Monodentate Ligand L in Ru(Terpy*)(Diimine)(L)2+: A Dramatic Effect of the Steric Properties of the Spectator Diimine Ligand","Inorganic Chemistry","2004","43","","8346","8354","10.1021/ic0491736","","","0.71073","Mo-Kα","","0.124","0.082","","0.247","","0.096","","","1.411","","","1.026","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312275","11.0983","0.0001","20.9631","0.0003","23.8225","0.0003","84.056","0.005","79.303","0.005","87.692","0.005","5415.57","0.15","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C184 H210 Cl12 F48 N20 O3 P8 Ru4 S4 -","- C184 H180 Cl12 F48 N20 O3 P8 Ru4 S4 -","- C184 H180 Cl12 F48 N20 O3 P8 Ru4 S4 -","1","0.5","","Sylvestre Bonnet; Jean-Paul Collin; Jean-Pierre Sauvage; Emma Schofield","Photochemical Expulsion of the Neutral Monodentate Ligand L in Ru(Terpy*)(Diimine)(L)2+: A Dramatic Effect of the Steric Properties of the Spectator Diimine Ligand","Inorganic Chemistry","2004","43","","8346","8354","10.1021/ic0491736","","","0.71073","Mo-Kα","","0.148","0.077","","0.247","","0.097","","","1.106","","","1.147","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312276","12.7","0.0003","23.4037","0.0005","17.3218","0.0004","90","","103.614","0.005","90","","5003.9","0.2","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H51 Cl2 F12 N5 P2 Ru S -","- C46 H51 Cl2 F12 N5 P2 Ru S -","- C184 H204 Cl8 F48 N20 P8 Ru4 S4 -","4","1","","Sylvestre Bonnet; Jean-Paul Collin; Jean-Pierre Sauvage; Emma Schofield","Photochemical Expulsion of the Neutral Monodentate Ligand L in Ru(Terpy*)(Diimine)(L)2+: A Dramatic Effect of the Steric Properties of the Spectator Diimine Ligand","Inorganic Chemistry","2004","43","","8346","8354","10.1021/ic0491736","","","0.71073","Mo-Kα","","0.131","0.087","","0.223","","0.102","","","1.386","","","1.021","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312277","11.285","0.0007","11.2343","0.0007","14.3926","0.0008","90","","105.652","0.001","90","","1757.02","0.18","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[DmpNPCl]2","","","- C16 H18 Cl2 N2 P2 -","- C16 H18 Cl2 N2 P2 -","- C64 H72 Cl8 N8 P8 -","4","1","","Neil Burford; Korey D. Conroy; Jeff C. Landry; Paul J. Ragogna; Michael J. Ferguson; Robert McDonald","Gallium Halide Induced Heterocycle Expansion of Dihalodiphosphadiaryldiazanes [(XPNR)2] to the Corresponding Triphosphatriazanes [(XPNR)3]","Inorganic Chemistry","2004","43","","8245","8251","10.1021/ic049217a","","","0.71073","MoKα","","0.0645","0.0587","","","0.135","0.1391","","","","","","1.036","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312278","8.658","0.001","30.316","0.003","11.7922","0.0014","90","","96.593","0.002","90","","3074.7","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[DmpNPCl]3","","","- C30 H33 Cl3 N3 P3 -","- C30 H33 Cl3 N3 P3 -","- C120 H132 Cl12 N12 P12 -","4","1","","Neil Burford; Korey D. Conroy; Jeff C. Landry; Paul J. Ragogna; Michael J. Ferguson; Robert McDonald","Gallium Halide Induced Heterocycle Expansion of Dihalodiphosphadiaryldiazanes [(XPNR)2] to the Corresponding Triphosphatriazanes [(XPNR)3]","Inorganic Chemistry","2004","43","","8245","8251","10.1021/ic049217a","","","0.71073","MoKα","","0.0495","0.0427","","","0.1144","0.1183","","","","","","1.106","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312279","15.7724","0.0016","11.5131","0.0012","20.513","0.002","90","","104.628","0.002","90","","3604.2","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[DmpNPBr]2","","","- C16 H18 Br2 N2 P2 -","- C16 H18 Br2 N2 P2 -","- C128 H144 Br16 N16 P16 -","8","2","","Neil Burford; Korey D. Conroy; Jeff C. Landry; Paul J. Ragogna; Michael J. Ferguson; Robert McDonald","Gallium Halide Induced Heterocycle Expansion of Dihalodiphosphadiaryldiazanes [(XPNR)2] to the Corresponding Triphosphatriazanes [(XPNR)3]","Inorganic Chemistry","2004","43","","8245","8251","10.1021/ic049217a","","","0.71073","MoKα","","0.0592","0.0346","","","0.0715","0.078","","","","","","1.018","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312280","15.3058","0.0008","19.7985","0.0011","17.9343","0.001","90","","97.0275","0.0009","90","","5393.8","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[DmpNPBr]3","","","- C24 H27 Br3 N3 P3 -","- C24 H27 Br3 N3 P3 -","- C192 H216 Br24 N24 P24 -","8","2","","Neil Burford; Korey D. Conroy; Jeff C. Landry; Paul J. Ragogna; Michael J. Ferguson; Robert McDonald","Gallium Halide Induced Heterocycle Expansion of Dihalodiphosphadiaryldiazanes [(XPNR)2] to the Corresponding Triphosphatriazanes [(XPNR)3]","Inorganic Chemistry","2004","43","","8245","8251","10.1021/ic049217a","","","0.71073","MoKα","","0.0546","0.0357","","","0.091","0.0998","","","","","","1.027","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312281","18.2485","0.0012","26.5385","0.0017","37.635","0.002","90","","100.138","0.001","90","","17941.6","1.9","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C169.5 H184.5 N12.5 O25 P6 Rh6 -","- C169.5 H181.5 N12.5 O25 P6 Rh6 -","- C678 H726 N50 O100 P24 Rh24 -","4","1","","F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 1. Compounds Prepared from Racemic cis-Rh2(C6H4PPh2)2(OAc)2","Inorganic Chemistry","2004","43","","8394","8403","10.1021/ic0492183","","","0.71073","MoKα","","0.1282","0.0876","","","0.2213","0.2491","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312282","22.212","0.003","23.185","0.003","22.209","0.003","90","0.002","119.236","0.002","90","0.003","9980","2","213","2","213","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H47 B2 F8 N6 O0.5 P2 Rh2 -","- C48 H46 B2 F8 N6 O0.5 P2 Rh2 -","- C384 H368 B16 F64 N48 O4 P16 Rh16 -","8","1","","F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 1. Compounds Prepared from Racemic cis-Rh2(C6H4PPh2)2(OAc)2","Inorganic Chemistry","2004","43","","8394","8403","10.1021/ic0492183","","","0.71073","MoKα","","0.106","0.0537","","","0.1023","0.1209","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312283","19.1896","0.0004","19.1896","0.0004","21.0249","0.0009","90","","90","","120","","6705","0.3","213","2","213","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C150 H140 N6 O19 P6 Rh6 -","- C150 H114 N6 O18.99 P6 Rh6 -","- C300 H228 N12 O37.98 P12 Rh12 -","2","0.166667","","F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 1. Compounds Prepared from Racemic cis-Rh2(C6H4PPh2)2(OAc)2","Inorganic Chemistry","2004","43","","8394","8403","10.1021/ic0492183","","","0.71073","MoKα","","0.0432","0.0308","","","0.08","0.0931","","","","","","1.145","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312284","11.149","0.0009","11.552","0.0012","15.004","0.0013","99.373","0.008","97.987","0.007","106.853","0.008","1788.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H30 Cl3 F6 N3 P2 Ru -","- C35 H30 Cl3 F6 N3 P2 Ru -","- C70 H60 Cl6 F12 N6 P4 Ru2 -","2","1","","Sanjay K. Singh; Manoj Trivedi; M. Chandra; Abhaya N. Sahay; Daya Shankar Pandey","Luminescent Piano-Stool Complexes Incorporating 1-(4-Cyanophenyl)imidazole: Synthesis, Spectral, and Structural Studies","Inorganic Chemistry","2004","43","","8600","8608","10.1021/ic049256m","","","0.7093","MoKα","","0.0597","0.0463","","","0.1083","0.1168","","","","","","1.092","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312285","11.504","0.002","13.725","0.0008","13.217","0.0014","90","0.007","105.232","0.013","90","0.01","2013.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl2 N3 Ru -","- C20 H21 Cl2 N3 Ru -","- C80 H84 Cl8 N12 Ru4 -","4","2","","Sanjay K. Singh; Manoj Trivedi; M. Chandra; Abhaya N. Sahay; Daya Shankar Pandey","Luminescent Piano-Stool Complexes Incorporating 1-(4-Cyanophenyl)imidazole: Synthesis, Spectral, and Structural Studies","Inorganic Chemistry","2004","43","","8600","8608","10.1021/ic049256m","","","0.7093","MoKα","","0.0299","0.027","","","0.0689","0.0717","","","","","","1.019","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312286","12.648","0.0009","15.483","0.0008","18.528","0.0017","90","0.006","102.173","0.006","90","0.005","3546.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 B Cl F4 N3 P Ru -","- C38 H36 B Cl F4 N3 P Ru -","- C152 H144 B4 Cl4 F16 N12 P4 Ru4 -","4","1","","Sanjay K. Singh; Manoj Trivedi; M. Chandra; Abhaya N. Sahay; Daya Shankar Pandey","Luminescent Piano-Stool Complexes Incorporating 1-(4-Cyanophenyl)imidazole: Synthesis, Spectral, and Structural Studies","Inorganic Chemistry","2004","43","","8600","8608","10.1021/ic049256m","","","0.7093","MoKα","","0.049","0.0368","","","0.0898","0.0977","","","","","","1.063","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312287","12.256","0.0011","12.832","0.0013","14.361","0.002","90","0.01","104.162","0.009","90","0.008","2189.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 N3 Ru -","- C22 H25 Cl2 N3 Ru -","- C88 H100 Cl8 N12 Ru4 -","4","1","","Sanjay K. Singh; Manoj Trivedi; M. Chandra; Abhaya N. Sahay; Daya Shankar Pandey","Luminescent Piano-Stool Complexes Incorporating 1-(4-Cyanophenyl)imidazole: Synthesis, Spectral, and Structural Studies","Inorganic Chemistry","2004","43","","8600","8608","10.1021/ic049256m","","","0.7093","MoKα","","0.0293","0.0262","","","0.0695","0.0723","","","","","","1.12","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312288","11.006","0.002","13.471","0.003","16.514","0.003","93.792","0.003","94.251","0.004","112.956","0.004","2236.2","0.8","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 Cl2 Cu2 N12 O11 Ru -","- C30 H50 Cl2 Cu2 N12 O11 Ru -","- C60 H100 Cl4 Cu4 N24 O22 Ru2 -","2","1","","Cheuk-Fai Chow; Michael H. W. Lam; Wai-Yeung Wong","A Heterobimetallic Ruthenium(II)-Copper(II) Donor-Acceptor Complex as a Chemodosimetric Ensemble for Selective Cyanide Detection","Inorganic Chemistry","2004","43","","8387","8393","10.1021/ic0492587","","","0.71073","MoKα","","0.106","0.0723","","","0.175","0.1959","","","","","","0.896","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312289","14.618","0.003","12.092","0.002","23.066","0.005","90","","96.656","0.016","90","","4049.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Cu2 N4 O4 -","- C44 H56 Cu2 N4 O4 -","- C176 H224 Cu8 N16 O16 -","4","1","","Suman Mukhopadhyay; Debdas Mandal; Pabitra Baran Chatterjee; Cédric Desplanches; Jean-Pascal Sutter; Ray J. Butcher; Muktimoy Chaudhury","Bi- and Trinuclear Copper(II) Complexes of a Sterically Constrained Phenol-Based Tetradentate Ligand: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2004","43","","8501","8509","10.1021/ic049271r","","","1.54178","CuKα","","0.1062","0.0957","","","0.2403","0.2586","","","","","","1.095","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312290","31.597","0.004","31.597","0.004","36.321","0.007","90","","90","","120","","31404","8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C55 H73 Cl2 Cu3 N5 O6 -","- C55 H72 Cl2 Cu3 N5 O6 -","- C990 H1296 Cl36 Cu54 N90 O108 -","18","1","","Suman Mukhopadhyay; Debdas Mandal; Pabitra Baran Chatterjee; Cédric Desplanches; Jean-Pascal Sutter; Ray J. Butcher; Muktimoy Chaudhury","Bi- and Trinuclear Copper(II) Complexes of a Sterically Constrained Phenol-Based Tetradentate Ligand: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2004","43","","8501","8509","10.1021/ic049271r","","","0.71073","MoKα","","0.2364","0.067","","","0.1725","0.223","","","","","","0.768","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312291","12.273","0.003","16.692","0.003","24.414","0.005","90","","94.996","0.004","90","","4982.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Cu3 N10 O9 -","- C45 H59 Cu3 N10 O9.006 -","- C180 H236 Cu12 N40 O36.024 -","4","1","","Suman Mukhopadhyay; Debdas Mandal; Pabitra Baran Chatterjee; Cédric Desplanches; Jean-Pascal Sutter; Ray J. Butcher; Muktimoy Chaudhury","Bi- and Trinuclear Copper(II) Complexes of a Sterically Constrained Phenol-Based Tetradentate Ligand: Syntheses, Structures, and Magnetic Studies","Inorganic Chemistry","2004","43","","8501","8509","10.1021/ic049271r","","","0.71073","MoKα","","0.2331","0.0952","","","0.2211","0.2773","","","","","","0.953","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312292","51.668","0.005","51.668","0.005","20.345","0.003","90","","90","","120","","47036","9","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C94 H134 Mn4 N12 O14 -","- C83 H50 Mn4 N12 O14 -","- C1494 H900 Mn72 N216 O252 -","18","1","","Dohyun Moon; Jiheh Song; Beom Jin Kim; Byoung Jin Suh; Myoung Soo Lah","Three-Dimensional Helical Coordination Networks of a Hexanuclear Manganese Metallamacrocycle as a Helical Tecton","Inorganic Chemistry","2004","43","","8230","8232","10.1021/ic049393j","","","0.71073","MoKα","","0.1401","0.0818","","","0.2258","0.254","","","","","","0.907","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312293","41.4326","0.0005","41.4326","0.0005","17.7556","0.0001","90","","90","","90","","30480.3","0.5","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C75 H107 Mn3 N10 O11 -","- C75 H101 Mn3 N10 O11 -","- C1200 H1616 Mn48 N160 O176 -","16","1","","Dohyun Moon; Jiheh Song; Beom Jin Kim; Byoung Jin Suh; Myoung Soo Lah","Three-Dimensional Helical Coordination Networks of a Hexanuclear Manganese Metallamacrocycle as a Helical Tecton","Inorganic Chemistry","2004","43","","8230","8232","10.1021/ic049393j","","","0.71073","MoKα","","0.0573","0.049","","","0.1301","0.1393","","","","","","1.097","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312294","12.0887","0.0002","13.0935","0.0002","17.6673","0.0003","90","","90","","90","","2796.44","0.08","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H12 B Cu F16 N4 -","- C28 H12 B Cu F16 N4 -","- C112 H48 B4 Cu4 F64 N16 -","4","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.042","0.0345","","","0.087","0.0927","","","","","","1.08","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312295","12.3673","0.0002","13.4042","0.0002","17.7511","0.0003","90","","90","","90","","2942.67","0.08","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H12 Cu F18 N4 P -","- C28 H12 Cu F18 N4 P -","- C112 H48 Cu4 F72 N16 P4 -","4","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.0643","0.0448","","","0.1088","0.1244","","","","","","1.072","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312296","8.852","0.0003","12.4188","0.0004","13.1541","0.0005","73.257","0.002","83.336","0.002","89.079","0.002","1375.16","0.08","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H14 Br Cu F12 N4 O -","- C28 H14 Br Cu F12 N4 O -","- C56 H28 Br2 Cu2 F24 N8 O2 -","2","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.079","0.0442","","","0.1022","0.1181","","","","","","1.032","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312297","16.0114","0.0005","14.0099","0.0004","14.5051","0.0004","90","","113.565","0.001","90","","2982.42","0.15","456","2","456","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H12 Cu F15 N4 O3 S -","- C29 H12 Cu F15 N4 O3 S -","- C116 H48 Cu4 F60 N16 O12 S4 -","4","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.0499","0.0328","","","0.0817","0.0919","","","","","","1.07","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312298","30.3275","0.0012","8.8882","0.0004","26.6805","0.0011","90","","124.059","0.001","90","","5958.2","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H12 Cu F15 N4 O3 S -","- C29 H12 Cu F15 N4 O3 S -","- C232 H96 Cu8 F120 N32 O24 S8 -","8","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.042","0.0322","","","0.0826","0.09","","","","","","1.048","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312299","16.1323","0.0009","13.5414","0.0008","33.1862","0.0019","90","","97.876","0.001","90","","7181.3","0.7","90","2","90","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C38.5 H18 B0.25 Cu F13 N4 O4.25 S0.75 -","- C38.5 H18 B0.25 Cu F13 N4 O4.25 S0.75 -","- C308 H144 B2 Cu8 F104 N32 O34 S6 -","8","2","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.1461","0.0923","","","0.1969","0.2281","","","","","","1.144","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312300","27.0527","0.0009","10.5537","0.0003","28.2487","0.0009","90","","90","","90","","8065.2","0.4","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H22 Cu F12 N5 O5 S -","- C44 H22 Cu F12 N5 O5 S -","- C352 H176 Cu8 F96 N40 O40 S8 -","8","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.0592","0.0378","","","0.0938","0.1212","","","","","","1.2","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4312301","7.1761","0.0006","7.1761","0.0006","16.966","0.002","90","","90","","120","","756.64","0.13","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- B9 Ba3 O18 Y -","- B9 Ba3 O18 Y -","- B18 Ba6 O36 Y2 -","2","0.166667","","X. Z. Li; C. Wang; X. L. Chen; H. Li; L. S. Jia; L. Wu; Y. X. Du; Y. P. Xu","Syntheses, Thermal Stability, and Structure Determination of the Novel Isostructural RBa3B9O18 (R = Y, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb)","Inorganic Chemistry","2004","43","","8555","8560","10.1021/ic049710m","","","0.71073","MoKα","","0.0568","0.0513","","","0.1297","0.1328","","","","","","1.169","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4327363","4.2618","0.0007","15.715","0.003","11.2232","0.0019","90","","90","","90","","751.7","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Mn Se3 Sm -","- Cs Mn Se3 Sm -","- Cs4 Mn4 Se12 Sm4 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; El'ad N. Caspi; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; James D. Jorgensen; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, and Selected Physical Properties of CsLnMnSe3 (Ln = Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Y) and AYbZnQ3 (A = Rb, Cs; Q = S, Se, Te)","Inorganic Chemistry","2004","43","","1082","1089","10.1021/ic030232+","","","0.71073","MoKα","","0.0184","0.0177","","","0.0481","0.0486","","","","","","0.981","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327364","4.2355","0.0008","15.761","0.003","11.138","0.002","90","","90","","90","","743.5","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Gd Mn Se3 -","- Cs Gd Mn Se3 -","- Cs4 Gd4 Mn4 Se12 -","4","0.25","","Kwasi Mitchell; Fu Qiang Huang; El'ad N. Caspi; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; James D. Jorgensen; Richard P. Van Duyne; James A. Ibers","Syntheses, Structure, and Selected Physical Properties of CsLnMnSe3 (Ln = Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Y) and AYbZnQ3 (A = Rb, Cs; Q = S, Se, Te)","Inorganic Chemistry","2004","43","","1082","1089","10.1021/ic030232+","","","0.71073","MoKα","","0.0205","0.0186","","","0.0488","0.0498","","","","","","0.985","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327365","8.6313","0.0004","18.9876","0.001","16.4104","0.001","90","","90","","90","","2689.5","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H18 Mn N4 S2.5 Sb -","- C6 H18 Mn N4 S2.5 Sb -","- C48 H144 Mn8 N32 S20 Sb8 -","8","1","","Michael Schaefer; Christian Näther; Nicolai Lehnert; Wolfgang Bensch","Solvothermal Syntheses, Crystal Structures, and Thermal Properties of New Manganese Thioantimonates(III): The First Example of the Thermal Transformation of an Amine-Rich Thioantimonate into an Amine-Poorer Thioantimonate","Inorganic Chemistry","2004","43","","2914","2921","10.1021/ic034970+","","","0.71073","MoKα","","0.0409","0.029","","","0.0665","0.0726","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327366","8.42","0.0017","9.9","0.002","11.43","0.002","101.11","0.03","105.27","0.03","91.76","0.03","898.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H36 Mn4 N8 S10 Sb4 -","- C12 H36 Mn4 N8 S10 Sb4 -","- C12 H36 Mn4 N8 S10 Sb4 -","1","0.5","","Michael Schaefer; Christian Näther; Nicolai Lehnert; Wolfgang Bensch","Solvothermal Syntheses, Crystal Structures, and Thermal Properties of New Manganese Thioantimonates(III): The First Example of the Thermal Transformation of an Amine-Rich Thioantimonate into an Amine-Poorer Thioantimonate","Inorganic Chemistry","2004","43","","2914","2921","10.1021/ic034970+","","","0.71073","MoKα","","0.0221","0.0202","","","0.0515","0.0526","","","","","","1.108","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327367","10.594","0.003","32.673","0.009","15.814","0.004","90","","98.477","0.005","90","","5414","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H46 N4 O2 Sn -","- C62 H46 N4 O2 Sn -","- C248 H184 N16 O8 Sn4 -","4","1","","Guodong Du; Arkady Ellern; L. Keith Woo","Reaction of Tin Porphyrins with Vicinal Diols","Inorganic Chemistry","2004","43","","2379","2386","10.1021/ic035123+","","","0.71073","MoKα","","0.1255","0.0864","","","0.2085","0.2311","","","","","","1.091","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327368","26.731","0.004","26.731","0.004","21.435","0.004","90","","90","","120","","13264","4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C126 H138 La8 N54 O66 S12 -","- C126 H90 La8 N54 O66 S12 -","- C378 H270 La24 N162 O198 S36 -","3","0.166667","","Hongwei Hou; Yongli Wei; Yinglin Song; Yaoting Fan; Yu Zhu","First Octameric Ellipsoid Lanthanide(III) Complexes: Crystal Structure and Nonlinear Optical Absorptive and Refractive Properties","Inorganic Chemistry","2004","43","","1323","1327","10.1021/ic035244+","","","0.71073","MoKα","","0.0971","0.0786","","","0.2055","0.2168","","","","","","1.122","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327369","26.68","0.004","26.68","0.004","21.388","0.004","90","","90","","120","","13185","4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C126 H138 Ce8 N54 O66 S12 -","- C126 H90 Ce8 N54 O66 S12 -","- C378 H270 Ce24 N162 O198 S36 -","3","0.166667","","Hongwei Hou; Yongli Wei; Yinglin Song; Yaoting Fan; Yu Zhu","First Octameric Ellipsoid Lanthanide(III) Complexes: Crystal Structure and Nonlinear Optical Absorptive and Refractive Properties","Inorganic Chemistry","2004","43","","1323","1327","10.1021/ic035244+","","","0.71073","MoKα","","0.0863","0.0686","","","0.1717","0.1808","","","","","","1.086","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327370","17.3032","0.0002","17.8113","0.0003","23.4597","0.0004","90","","106.41","0.001","90","","6935.58","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Mo12 N9 O46 P Zn4 -","- C41 H32 Mo12 N9 O46 P Zn4 -","- C164 H128 Mo48 N36 O184 P4 Zn16 -","4","1","","Chong Lei; Jiang-Gao Mao; Yan-Qiong Sun; Jun-Ling Song","A Novel Organic-Inorganic Hybrid Based on an 8-Electron-Reduced Keggin Polymolybdate Capped by Tetrahedral, Trigonal Bipyramidal, and Octahedral Zinc: Synthesis and Crystal Structure of (CH3NH3)(H2bipy)[Zn4(bipy)3(H2O)2MoV8MoVI4O36(PO4)].4H2O","Inorganic Chemistry","2004","43","","1964","1968","10.1021/ic035290+","","","0.71073","MoKα","","0.0821","0.0586","","","0.1113","0.1245","","","","","","1.242","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327371","9.4204","0.0002","9.4204","0.0002","12.1226","0.0002","90","","90","","120","","931.68","0.03","293","2","293","2","","","","","","","","2","P 63/m","-P 6c","176","","","","- Mo9 Se11 -","- Mo9 Se11 -","- Mo18 Se22 -","2","0.166667","","Patrick Gougeon; Michel Potel; Régis Gautier","Syntheses and Structural, Physical, and Theoretical Studies of the Novel Isostructural Mo9 Cluster Compounds Ag2.6CsMo9Se11, Ag4.1ClMo9Se11, and h-Mo9Se11 with Tunnel Structures","Inorganic Chemistry","2004","43","","1257","1263","10.1021/ic035319+","","","0.71069","MoKα","","0.0828","0.048","","","0.1041","0.1152","","","","","","1.09","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327372","10.0321","0.0002","10.0321","0.0002","11.8734","0.0002","90","","90","","120","","1034.88","0.03","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ag4.13 Cl Mo9 Se11 -","- Ag4.135 Cl Mo9 Se11 -","- Ag8.27 Cl2 Mo18 Se22 -","2","0.166667","","Patrick Gougeon; Michel Potel; Régis Gautier","Syntheses and Structural, Physical, and Theoretical Studies of the Novel Isostructural Mo9 Cluster Compounds Ag2.6CsMo9Se11, Ag4.1ClMo9Se11, and h-Mo9Se11 with Tunnel Structures","Inorganic Chemistry","2004","43","","1257","1263","10.1021/ic035319+","","","0.71069","MoKα","","0.0429","0.0352","","","0.0731","0.0761","","","","","","1.093","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327373","10.0472","","10.0472","","11.9548","","90","","90","","120","","1045.11","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ag2.568 Cs Mo9 Se11 -","- Ag2.583 Cs Mo9 Se11 -","- Ag5.166 Cs2 Mo18 Se22 -","2","0.166667","","Patrick Gougeon; Michel Potel; Régis Gautier","Syntheses and Structural, Physical, and Theoretical Studies of the Novel Isostructural Mo9 Cluster Compounds Ag2.6CsMo9Se11, Ag4.1ClMo9Se11, and h-Mo9Se11 with Tunnel Structures","Inorganic Chemistry","2004","43","","1257","1263","10.1021/ic035319+","","","0.71069","MoKα","","0.0446","0.0446","","","0.0446","0.0446","","","","1.47","1.47","1.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327374","12.22","0.003","26.555","0.006","7.345","0.0017","90","","103.734","0.004","90","","2315.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Pt S4 -","- C20 H11 Cl N5 Pt S4 -","- C80 H44 Cl4 N20 Pt4 S16 -","4","1","","X. M. Ren; H. Okudera; R. K. Kremer; Y. Song; C. He; Q. J. Meng; P. H. Wu","Ionic Pair Complexes with Well-Separated Columnar Stack Structure Based on [Pt(mnt)2]- Ions Showing Unusual Magnetic Transition: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","2569","2576","10.1021/ic035405+","","","0.71073","MoKα","","0.0886","0.0593","","","0.1172","0.1242","","","","","","0.999","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327375","12.181","0.002","26.728","0.005","7.4012","0.0015","90","","103.71","0.03","90","","2341","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Br N5 Pt S4 -","- C20 H11 Br N5 Pt S4 -","- C80 H44 Br4 N20 Pt4 S16 -","4","1","","X. M. Ren; H. Okudera; R. K. Kremer; Y. Song; C. He; Q. J. Meng; P. H. Wu","Ionic Pair Complexes with Well-Separated Columnar Stack Structure Based on [Pt(mnt)2]- Ions Showing Unusual Magnetic Transition: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","2569","2576","10.1021/ic035405+","","","0.71073","MoKα","","0.066","0.0336","","","0.0349","0.0373","","","","","","1.067","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327376","7.2682","0.0015","12.249","0.002","26.612","0.005","87.55","0.03","84.86","0.03","75.52","0.03","2284.2","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Br N5 Pt S4 -","- C20 H11 Br N5 Pt S4 -","- C80 H44 Br4 N20 Pt4 S16 -","4","2","","X. M. Ren; H. Okudera; R. K. Kremer; Y. Song; C. He; Q. J. Meng; P. H. Wu","Ionic Pair Complexes with Well-Separated Columnar Stack Structure Based on [Pt(mnt)2]- Ions Showing Unusual Magnetic Transition: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","2569","2576","10.1021/ic035405+","","","0.71073","MoKα","","0.0538","0.0385","","","0.0961","0.1018","","","","","","0.882","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327377","7.167","0.0014","26.388","0.005","12.624","0.003","90","","105.65","0.03","90","","2299","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 N6 O2 Pt S4 -","- C20 H11 N6 O2 Pt S4 -","- C80 H44 N24 O8 Pt4 S16 -","4","1","","X. M. Ren; H. Okudera; R. K. Kremer; Y. Song; C. He; Q. J. Meng; P. H. Wu","Ionic Pair Complexes with Well-Separated Columnar Stack Structure Based on [Pt(mnt)2]- Ions Showing Unusual Magnetic Transition: Syntheses, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2004","43","","2569","2576","10.1021/ic035405+","","","0.71073","MoKα","","0.0686","0.0394","","","0.0535","0.0586","","","","","","0.827","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327378","12.4351","0.0002","12.3172","0.0002","46.2731","0.0003","90","","94.4412","0.0003","90","","7066.17","0.17","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H85 Cu4 Fe4 N13 O4 S4 -","- C63 H85 Cu4 Fe4 N13 O4 S4 -","- C252 H340 Cu16 Fe16 N52 O16 S16 -","4","1","","Laura J. Ashfield; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly","Functionalized Thiosemicarbazone Clusters of Copper(I) and Silver(I)","Inorganic Chemistry","2004","43","","4121","4123","10.1021/ic035451+","","","0.71073","MoKα","","","0.0337","","","","0.0389","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327379","20.1483","0.0005","20.1483","0.0005","19.0249","0.0005","90","","90","","120","","6688.5","0.3","150","","150","","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C70 H100 Cu6 N24 O13 S6 -","- C70.0008 H100.002 Cu6 N24 O13.0002 S6 -","- C210.002 H300.006 Cu18 N72 O39.0006 S18 -","3","0.166667","","Laura J. Ashfield; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly","Functionalized Thiosemicarbazone Clusters of Copper(I) and Silver(I)","Inorganic Chemistry","2004","43","","4121","4123","10.1021/ic035451+","","","0.71073","MoKα","","","0.0346","","","","0.0416","","","","","","1.0684","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327380","11.8041","0.0002","23.7157","0.0003","15.9856","0.0002","90","","98.3719","0.0006","90","","4427.36","0.11","150","","150","","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C66 H98 Cu6 N32 O8 S6 -","- C66 H98 Cu6 N32 O8 S6 -","- C132 H196 Cu12 N64 O16 S12 -","2","0.5","","Laura J. Ashfield; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly","Functionalized Thiosemicarbazone Clusters of Copper(I) and Silver(I)","Inorganic Chemistry","2004","43","","4121","4123","10.1021/ic035451+","","","0.71073","MoKα","","","0.0324","","","","0.0383","","","","","","1.0407","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327381","14.028","0.0002","15.2917","0.0002","29.57","0.0003","90","","90.2636","0.0006","90","","6343.05","0.14","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H142 Cu6 N28 O16 S6 -","- C114 H142 Cu6 N28 O16 S6 -","- C228 H284 Cu12 N56 O32 S12 -","2","0.5","","Laura J. Ashfield; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly","Functionalized Thiosemicarbazone Clusters of Copper(I) and Silver(I)","Inorganic Chemistry","2004","43","","4121","4123","10.1021/ic035451+","","","0.71073","MoKα","","","0.0322","","","","0.0334","","","","","","1.0538","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327382","15.4658","0.0002","18.2708","0.0003","15.7568","0.0003","90","","92.5355","0.0007","90","","4448.08","0.13","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H90 Ag6 N24 O12 S6 -","- C66 H90 Ag6 N24 O12 S6 -","- C132 H180 Ag12 N48 O24 S12 -","2","0.5","","Laura J. Ashfield; Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly","Functionalized Thiosemicarbazone Clusters of Copper(I) and Silver(I)","Inorganic Chemistry","2004","43","","4121","4123","10.1021/ic035451+","","","0.71073","MoKα","","","0.0333","","","","0.0377","","","","","","1.0612","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327383","10.8749","0.0005","11.9336","0.0005","14.6196","0.0005","71.93","0.01","84.55","0.02","63.03","0.01","1605.2","0.2","173.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39 F6 N2 Ni O2 P -","- C31 F6 N2 Ni O2 P -","- C62 F12 N4 Ni2 O4 P2 -","2","1","","Hideki Ohtsu; Koji Tanaka","Equilibrium of Low- and High-Spin States of Ni(II) Complexes Controlled by the Donor Ability of the Bidentate Ligands","Inorganic Chemistry","2004","43","","3024","3030","10.1021/ic035486+","","","0.7107","MoKα","","","0.069","","","","0.087","","","","","","1.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327384","21.82","0.01","11.16","0.006","27.91","0.01","90","","104.536","0.005","90","","6579","5","173.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 F6 N2 Ni O2 P -","- C32 F6 N2 Ni O2 P -","- C256 F48 N16 Ni8 O16 P8 -","8","1","","Hideki Ohtsu; Koji Tanaka","Equilibrium of Low- and High-Spin States of Ni(II) Complexes Controlled by the Donor Ability of the Bidentate Ligands","Inorganic Chemistry","2004","43","","3024","3030","10.1021/ic035486+","","","0.7107","MoKα","","","0.062","","","","0.078","","","","","","1.736","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327385","9.774","0.002","9.712","0.002","16.132","0.003","90","","96.583","0.009","90","","1521.2","0.5","173.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H41 N3 Ni O5 -","- C32 N3 Ni O5 -","- C64 N6 Ni2 O10 -","2","1","","Hideki Ohtsu; Koji Tanaka","Equilibrium of Low- and High-Spin States of Ni(II) Complexes Controlled by the Donor Ability of the Bidentate Ligands","Inorganic Chemistry","2004","43","","3024","3030","10.1021/ic035486+","","","0.7107","MoKα","","","0.034","","","","0.048","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327386","18.5856","0.0003","9.0854","0.0001","19.139","0.0004","90","","91.7146","0.0006","90","","3230.32","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N O4 P -","- C36 H42 N O4 P -","- C144 H168 N4 O16 P4 -","4","1","","Natalya V. Timosheva; A. Chandrasekaran; Robert R. Holmes","Phosphorus-Nitrogen Donor Interaction Leading to Atrane Formation in Phosphate and Oxyphosphorane Compositions. Implications for Phosphoryl Transfer Enzymes1","Inorganic Chemistry","2004","43","","7403","7411","10.1021/ic040073+","","","0.71073","MoKα","","0.0715","0.0503","","","0.1241","0.1363","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327387","10.7003","0.0001","13.1917","0.0001","14.5801","0.0002","85.569","0.0005","84.1928","0.0005","71.5345","0.0005","1939.85","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H46 N O6 P -","- C45 H46 N O6 P -","- C90 H92 N2 O12 P2 -","2","1","","Natalya V. Timosheva; A. Chandrasekaran; Robert R. Holmes","Phosphorus-Nitrogen Donor Interaction Leading to Atrane Formation in Phosphate and Oxyphosphorane Compositions. Implications for Phosphoryl Transfer Enzymes1","Inorganic Chemistry","2004","43","","7403","7411","10.1021/ic040073+","","","0.71073","MoKα","","0.0736","0.0483","","","0.1144","0.1295","","","","","","1.029","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327388","8.9407","0.0003","30.1453","0.001","11.2557","0.0003","90","","112.167","","90","","2809.42","0.15","115","2","115","2","","","","","","","","8","P 1 21 1","P 2yb","4","km2403","","","- C23 H22 B F4 Fe2 N O7 P2 -","- C23 H22 B F4 Fe2 N O7 P2 -","- C92 H88 B4 F16 Fe8 N4 O28 P8 -","4","2","","Pankaj Das; Jean-François Capon; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin; Kenneth W. Muir","Di-Iron Aza Diphosphido Complexes: Mimics for the Active Site of Fe-Only Hydrogenase, and Effects of Changing the Coordinating Atoms of the Bridging Ligand in [Fe2{μ-(ECH2)2NR}(CO)6]","Inorganic Chemistry","2004","43","","8203","8205","10.1021/ic048772+","","x-ray","0.71073","MoKα","","0.0437","0.0327","","","0.0674","0.0713","","","","","","1.046","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327389","7.9647","0.0001","20.4402","","31.0173","0.0003","90","","90","","90","","5049.62","0.08","100","2","100","2","","","","","","","","6","P b n a","-P 2ac 2b","60","Compound X","","","- C23 H21 Fe2 N O7 P2 -","- C23 H21 Fe2 N O7 P2 -","- C184 H168 Fe16 N8 O56 P16 -","8","1","","Pankaj Das; Jean-François Capon; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin; Kenneth W. Muir","Di-Iron Aza Diphosphido Complexes: Mimics for the Active Site of Fe-Only Hydrogenase, and Effects of Changing the Coordinating Atoms of the Bridging Ligand in [Fe2{μ-(ECH2)2NR}(CO)6]","Inorganic Chemistry","2004","43","","8203","8205","10.1021/ic048772+","","","0.71073","MoKα","","0.0419","0.0292","","","0.0679","0.072","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327390","24.9202","0.001","18.7433","0.0007","14.6524","0.0006","90","","95.74","0.001","90","","6809.6","0.5","150","0.2","150","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H58 Cu3 N12 O26 S6 -","- C54 H34 Cu3 N12 O26 S6 -","- C216 H136 Cu12 N48 O104 S24 -","4","0.5","","Cheng-Yong Su; Mark D. Smith; Andrea M. Goforth; Hans-Conrad zur Loye","A Three-Dimensional, Noninterpenetrating Metal-Organic Framework with the Moganite Topology: A Simple (42.62.82)(4.64.8)2 Net Containing Two Kinds of Topologically Nonequivalent Points","Inorganic Chemistry","2004","43","","6881","6883","10.1021/ic048812+","","","0.71073","MoKα","","0.0567","0.0415","","","0.1014","0.1057","","","","","","1.012","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327391","10.7731","0.0002","12.9777","0.0003","11.7216","0.0003","90","","103.439","0.002","90","","1593.92","0.06","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","0.5","","Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt","Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry","Inorganic Chemistry","2004","43","","7671","7681","10.1021/ic048893+","","","0.71073","MoKα","","0.05","0.0361","","","0.0928","0.0989","","","","","","1.062","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327392","8.3883","0.0002","8.5081","0.0002","13.3648","0.0004","99.594","0.001","106.214","0.001","104.78","0.001","856.02","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C38 H36 N8 O6 -","2","1","","Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt","Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry","Inorganic Chemistry","2004","43","","7671","7681","10.1021/ic048893+","","","0.71073","MoKα","","0.0831","0.0467","","","0.1035","0.1167","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327393","23.6322","0.0004","8.4044","0.0001","22.9866","0.0003","90","","97.932","0.001","90","","4521.79","0.11","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cl4 N10 O6 Pd2 -","- C42 H42 Cl4 N10 O6 Pd2 -","- C168 H168 Cl16 N40 O24 Pd8 -","4","0.5","","Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt","Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry","Inorganic Chemistry","2004","43","","7671","7681","10.1021/ic048893+","","","0.71073","MoKα","","0.0736","0.0503","","","0.1199","0.1328","","","","","","1.016","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327394","9.3407","0.0001","23.6773","0.0004","14.0328","0.0002","90","","95.367","0.001","90","","3089.92","0.08","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Cl4 N12 O8 Pd2 -","- C56 H72 Cl4 N12 O8 Pd2 -","- C112 H144 Cl8 N24 O16 Pd4 -","2","0.5","","Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt","Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry","Inorganic Chemistry","2004","43","","7671","7681","10.1021/ic048893+","","","0.71073","MoKα","","0.1023","0.0449","","","0.0854","0.0987","","","","","","0.979","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327395","12.9654","0.0002","13.1454","0.0002","15.8598","0.0003","81.907","0.001","88.586","0.001","68.947","0.001","2496.53","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H66 F9 N16 O16 Pd2 -","- C84 H66 F9 N16 O16 Pd2 -","- C84 H66 F9 N16 O16 Pd2 -","1","0.5","","Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt","Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry","Inorganic Chemistry","2004","43","","7671","7681","10.1021/ic048893+","","","0.71073","MoKα","","0.0914","0.0766","","","0.2158","0.2281","","","","","","1.029","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327396","19.8814","0.0002","19.8814","0.0002","15.8966","0.0002","90","","90","","90","","6283.45","0.12","200","2","200","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C92 H92 Cl16 N16 O16 Pd2 -","- C92 H92 Cl16 N16 O16 Pd2 -","- C184 H184 Cl32 N32 O32 Pd4 -","2","0.25","","Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt","Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry","Inorganic Chemistry","2004","43","","7671","7681","10.1021/ic048893+","","","0.71073","MoKα","","0.0977","0.0764","","","0.2414","0.2668","","","","","","1.058","","","","has coordinates,has disorder","179376","2020-10-21","18:00:00",""
"4327397","13.3181","0.0001","16.0259","0.0002","26.8179","0.0003","90","","90.815","0.001","90","","5723.29","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H76 F18 N20 Na2 O24 Pd2 -","- C112 H76 F18 N20 Na2 O24 Pd2 -","- C224 H152 F36 N40 Na4 O48 Pd4 -","2","0.5","","Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt","Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry","Inorganic Chemistry","2004","43","","7671","7681","10.1021/ic048893+","","","0.71073","MoKα","","0.0706","0.0477","","","0.1098","0.1213","","","","","","1.025","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327398","13.2979","0.0001","16.0953","0.0002","26.9359","0.0003","90","","91.374","0.001","90","","5763.53","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H76 F18 K2 N20 O24 Pd2 -","- C112 H76 F18 K2 N20 O24 Pd2 -","- C224 H152 F36 K4 N40 O48 Pd4 -","2","0.5","","Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt","Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry","Inorganic Chemistry","2004","43","","7671","7681","10.1021/ic048893+","","","0.71073","MoKα","","0.0837","0.0552","","","0.1505","0.1657","","","","","","1.039","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327399","8.8218","0.0013","16.323","0.002","18.277","0.003","90","","101.169","0.003","90","","2582","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Me2NN]Cu(2,4-lutidine)","","","- C28 H34 Cu N3 -","- C28 H34 Cu N3 -","- C112 H136 Cu4 N12 -","4","1","","Latasha D. Amisial; Xuliang Dai; R. Adam Kinney; Ammani Krishnaswamy; Timothy H. Warren","Cu(I) β-Diketiminates for Alkene Aziridination: Reversible CuArene Binding and Catalytic Nitrene Transfer from PhINTs","Inorganic Chemistry","2004","43","","6537","6539","10.1021/ic048968+","","","0.71073","MoKα","","0.0494","0.0344","","","0.0916","0.0965","","","","","","1.076","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327400","13.2665","0.0015","13.5257","0.0015","16.6446","0.0019","90","","97.799","0.002","90","","2959.1","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[iPrMeNN]Cu(2,4-lutidine)","","","- C32 H42 Cu N3 -","- C32 H42 Cu N3 -","- C128 H168 Cu4 N12 -","4","1","","Latasha D. Amisial; Xuliang Dai; R. Adam Kinney; Ammani Krishnaswamy; Timothy H. Warren","Cu(I) β-Diketiminates for Alkene Aziridination: Reversible CuArene Binding and Catalytic Nitrene Transfer from PhINTs","Inorganic Chemistry","2004","43","","6537","6539","10.1021/ic048968+","","","0.71073","MoKα","","0.1401","0.0587","","","0.1117","0.1228","","","","","","1.002","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327401","11.1579","0.0012","36.103","0.005","15.268","0.002","90","","104.511","0.003","90","","5954.3","1.3","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","{[Me2NN]Cu}2","","","- C42 H50 Cu2 N4 -","- C42 H50 Cu2 N4 -","- C252 H300 Cu12 N24 -","6","1.5","","Latasha D. Amisial; Xuliang Dai; R. Adam Kinney; Ammani Krishnaswamy; Timothy H. Warren","Cu(I) β-Diketiminates for Alkene Aziridination: Reversible CuArene Binding and Catalytic Nitrene Transfer from PhINTs","Inorganic Chemistry","2004","43","","6537","6539","10.1021/ic048968+","","","0.71073","MoKα","","0.1035","0.0585","","","0.1289","0.1408","","","","","","1.004","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327402","7.5522","0.0004","10.4461","0.0005","9.3825","0.0005","90","","90","","90","","740.2","0.07","293","","293","","","","","","","","?","6","P n m a","-P 2ac 2n","62","","Potassium bromocyanocuprate","","- C2 Br Cu2 K N2 O -","- C2 Br Cu2 K N2 O -","- C8 Br4 Cu8 K4 N8 O4 -","4","0.5","","Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley","Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides","Inorganic Chemistry","2004","43","","8040","8048","10.1021/ic049011+","","","0.71073","MoKα","","0.0375","0.0293","","0.0348","0.0331","0.0331","","","","","","1.0508","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327403","13.0622","0.0004","13.1167","0.0004","13.4592","0.0004","90","","107.684","0.002","90","","2197.04","0.12","293","","293","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","Potassium iodocyanocuprate","","- C6 Cu6 I3 K3 N6 O2 -","- C6 Cu6 I3 K3 N6 O2 -","- C24 Cu24 I12 K12 N24 O8 -","4","0.5","","Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley","Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides","Inorganic Chemistry","2004","43","","8040","8048","10.1021/ic049011+","","","0.71073","MoKα","","0.116","0.0708","","0.0992","0.0722","0.0722","","","","","","1.1853","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327404","10.3041","0.0004","10.3041","0.0004","13.847","0.0007","90","","90","","120","","1273.23","0.1","293","","293","","","","","","","","?","5","R -3 c :H","-R 3 2""c","167","","Cesium chlorocyanocuprate","","- C3 Cl Cs Cu3 N3 -","- C3 Cl Cs Cu3 N3 -","- C18 Cl6 Cs6 Cu18 N18 -","6","0.166667","","Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley","Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides","Inorganic Chemistry","2004","43","","8040","8048","10.1021/ic049011+","","","0.71073","MoKα","","0.0345","0.0292","","0.0556","0.032","0.032","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327405","10.461","0.0005","10.461","0.0005","13.982","0.0005","90","","90","","120","","1325.09","0.1","293","","293","","","","","","","","?","5","R -3 c :H","-R 3 2""c","167","","Cesium Bromocyanocuprate","","- C3 Br Cs Cu3 N3 -","- C3 Br Cs Cu3 N3 -","- C18 Br6 Cs6 Cu18 N18 -","6","0.166667","","Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley","Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides","Inorganic Chemistry","2004","43","","8040","8048","10.1021/ic049011+","","","0.71073","MoKα","","0.054","0.0286","","0.0684","0.0363","0.0363","","","","","","1.0183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327406","8.9865","0.0004","10.997","0.0005","15.9847","0.0007","90","","92.423","0.002","90","","1578.27","0.12","293","","293","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","Cesium iodocyanocuprate","","- C4 Cs2 Cu4 I2 N4 O -","- C4 Cs2 Cu4 I2 N4 O -","- C16 Cs8 Cu16 I8 N16 O4 -","4","0.5","","Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley","Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides","Inorganic Chemistry","2004","43","","8040","8048","10.1021/ic049011+","","","0.71073","MoKα","","0.071","0.0468","","0.0752","0.0563","0.0563","","","","","","1.0245","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327407","7.0605","0.0003","15.8917","0.0007","7.5392","0.0003","90","","96.5","0.002","90","","840.49","0.06","293","","293","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","[Cu(H2O)4][Cu4(CN)4I2]","","- C4 H8 Cu5 I2 N4 O4 -","- C4 H8 Cu5 I2 N4 O4 -","- C8 H16 Cu10 I4 N8 O8 -","2","0.5","","Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley","Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides","Inorganic Chemistry","2004","43","","8040","8048","10.1021/ic049011+","","","0.71073","MoKα","","0.0646","0.04","","0.0633","0.0476","0.0476","","","","","","1.0962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327408","7.1656","0.0002","7.2939","0.0002","8.7309","0.0003","79.4398","0.0016","80.3343","0.0016","73.1499","0.0017","426.13","0.02","293","","293","","","","","","","","?","6","P -1","-P 1","2","","[Cu(H2o)4][Cu2(CN)I2]2","","- C2 H8 Cu5 I4 N2 O4 -","- C2 H8 Cu5 I4 N2 O4 -","- C2 H8 Cu5 I4 N2 O4 -","1","0.5","","Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley","Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides","Inorganic Chemistry","2004","43","","8040","8048","10.1021/ic049011+","","","0.71073","MoKα","","0.0376","0.0327","","0.0436","0.0405","0.0405","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327409","17.0606","0.0012","14.5181","0.0011","19.128","0.0012","90","","106.3","0.005","90","","4547.3","0.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 Au2 O P2 S2 -","- C54 H46 Au2 O P2 S2 -","- C216 H184 Au8 O4 P8 S8 -","4","1","","José Vicente; Pablo González-Herrero; Yolanda García-Sánchez; Peter G. Jones; Manuel Bardají","(Fluoren-9-ylidene)methanedithiolato Complexes of Gold: Synthesis, Luminescence, and Charge-Transfer Adducts1","Inorganic Chemistry","2004","43","","7516","7531","10.1021/ic049132+","","","0.71073","MoKα","","0.0243","0.0182","","","0.0426","0.0439","","","","","","1.012","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327410","29.0247","0.0016","17.3765","0.0011","21.557","0.0012","90","","109.674","0.004","90","","10237.5","1.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28.67 H43.33 Au2 Cl1.33 P2 S2 -","- C28.641 H42.6667 Au2 Cl1.282 P2 S2 -","- C343.692 H512 Au24 Cl15.384 P24 S24 -","12","3","","José Vicente; Pablo González-Herrero; Yolanda García-Sánchez; Peter G. Jones; Manuel Bardají","(Fluoren-9-ylidene)methanedithiolato Complexes of Gold: Synthesis, Luminescence, and Charge-Transfer Adducts1","Inorganic Chemistry","2004","43","","7516","7531","10.1021/ic049132+","","","0.71073","MoKα","","0.0503","0.0267","","","0.0512","0.055","","","","","","0.917","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327411","23.38","0.002","19.4509","0.0014","25.424","0.002","90","","100.004","0.004","90","","11386.1","1.6","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H56 Au2 Cl2 P2 S2 -","- C59 H56 Au2 Cl2 P2 S2 -","- C472 H448 Au16 Cl16 P16 S16 -","8","1","","José Vicente; Pablo González-Herrero; Yolanda García-Sánchez; Peter G. Jones; Manuel Bardají","(Fluoren-9-ylidene)methanedithiolato Complexes of Gold: Synthesis, Luminescence, and Charge-Transfer Adducts1","Inorganic Chemistry","2004","43","","7516","7531","10.1021/ic049132+","","","0.71073","MoKα","","0.0459","0.0273","","","0.0531","0.0558","","","","","","0.902","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327412","9.4807","0.0004","22.3323","0.0012","13.7936","0.0008","90","","93.834","0.005","90","","2913.9","0.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H58 Au N O2 P2 S4 -","- C70 H58 Au N O2 P2 S4 -","- C140 H116 Au2 N2 O4 P4 S8 -","2","0.5","","José Vicente; Pablo González-Herrero; Yolanda García-Sánchez; Peter G. Jones; Manuel Bardají","(Fluoren-9-ylidene)methanedithiolato Complexes of Gold: Synthesis, Luminescence, and Charge-Transfer Adducts1","Inorganic Chemistry","2004","43","","7516","7531","10.1021/ic049132+","","","0.71073","MoKα","","0.022","0.0173","","","0.0445","0.0457","","","","","","1.06","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327413","16.0361","0.0006","17.1629","0.0006","18.7","0.0006","72.593","0.004","85.251","0.004","66.974","0.004","4516.3","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H176 Au2 Cl8 N14 P4 S8 -","- C200 H176 Au2 Cl8 N14 P4 S8 -","- C200 H176 Au2 Cl8 N14 P4 S8 -","1","0.5","","José Vicente; Pablo González-Herrero; Yolanda García-Sánchez; Peter G. Jones; Manuel Bardají","(Fluoren-9-ylidene)methanedithiolato Complexes of Gold: Synthesis, Luminescence, and Charge-Transfer Adducts1","Inorganic Chemistry","2004","43","","7516","7531","10.1021/ic049132+","","","0.71073","MoKα","","0.0348","0.0271","","","0.0725","0.0754","","","","","","1.059","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327414","19.0797","0.0019","9.8346","0.0006","15.1557","0.0015","90","","104.623","0.009","90","","2751.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl N3 O13 U -","- C21 H28 Cl N3 O13 U -","- C84 H112 Cl4 N12 O52 U4 -","4","1","","Chryssoula Drouza; Volker Gramlich; Michael P. Sigalas; Ioannis Pashalidis; Anastasios D. Keramidas","Synthesis, Structure, and Solution Dynamics of UO22±Hydroxy Ketone Compounds [UO2(ma)2(H2O)] and [UO2(dpp)(Hdpp)2(H2O)]ClO4 [ma = 3-Hydroxy-2-methyl-4-pyrone, Hdpp = 3-Hydroxy-1,2-dimethyl-4(1H)-pyridone]","Inorganic Chemistry","2004","43","","8336","8345","10.1021/ic049167+","","","0.71073","MoKα","","0.0887","0.0587","","","0.0833","0.0914","","","","","","1.265","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327415","14.561","0.007","14.871","0.009","7.25","0.004","90","","95.5","0.04","90","","1562.7","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 O10 U -","- C14 H16 O10 U -","- C56 H64 O40 U4 -","4","0.5","","Chryssoula Drouza; Volker Gramlich; Michael P. Sigalas; Ioannis Pashalidis; Anastasios D. Keramidas","Synthesis, Structure, and Solution Dynamics of UO22±Hydroxy Ketone Compounds [UO2(ma)2(H2O)] and [UO2(dpp)(Hdpp)2(H2O)]ClO4 [ma = 3-Hydroxy-2-methyl-4-pyrone, Hdpp = 3-Hydroxy-1,2-dimethyl-4(1H)-pyridone]","Inorganic Chemistry","2004","43","","8336","8345","10.1021/ic049167+","","","0.71073","MoKα","","0.0239","0.0222","","0.0533","0.0531","","","","1.087","1.135","1.135","","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327416","24.374","0.0002","29.011","0.0003","31.425","0.0004","90","","93.64","0.0004","90","","22176.2","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C244 H168 N32 O36 Zn4 -","- C208 H138 N26 O24 Zn4 -","- C832 H552 N104 O96 Zn16 -","4","1","","Mikki Vinodu; Zafra Stein; Israel Goldberg","Porphyrin Supermolecules: Synthesis and Self-Assembly Features of Zinc-5-(3'-pyridyl)-10,15,20-tris(4'-hydroxyphenyl)porphyrin","Inorganic Chemistry","2004","43","","7582","7584","10.1021/ic049374+","","","0.71073","MoKα","","0.1151","0.0708","","","0.1726","0.1869","","","","","","0.99","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327417","12.1979","0.0011","18.7033","0.0012","14.106","0.0014","90","","107.276","0.006","90","","3073","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl Cu N9 O5 S2 Zn -","- C23 H30 Cl Cu N9 O5 S2 Zn -","- C92 H120 Cl4 Cu4 N36 O20 S8 Zn4 -","4","1","","Dipesh Ghosh; Nabanita Kundu; Goutam Maity; Ki-Young Choi; Andrea Caneschi; Akira Endo; Muktimoy Chaudhury","Synthesis, Structure, Magnetism, and Spectroscopic Properties of Heterobinuclear Copper(II)-Zinc(II) Complexes and Their Copper(II)-Copper(II) Analogues in Asymmetric Ligand Environments","Inorganic Chemistry","2004","43","","6015","6023","10.1021/ic049449+","","","0.71073","MoKα","","0.1016","0.049","","","0.1229","0.1426","","","","","","0.994","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327418","18.988","0.003","24.976","0.006","9.6202","0.0011","90","","91.191","0.011","90","","4561.3","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 B Cu2 N8 O S2 -","- C47 H51 B Cu2 N8 O S2 -","- C188 H204 B4 Cu8 N32 O4 S8 -","4","1","","Dipesh Ghosh; Nabanita Kundu; Goutam Maity; Ki-Young Choi; Andrea Caneschi; Akira Endo; Muktimoy Chaudhury","Synthesis, Structure, Magnetism, and Spectroscopic Properties of Heterobinuclear Copper(II)-Zinc(II) Complexes and Their Copper(II)-Copper(II) Analogues in Asymmetric Ligand Environments","Inorganic Chemistry","2004","43","","6015","6023","10.1021/ic049449+","","","0.71073","MoKα","","0.1111","0.0549","","","0.1142","0.1332","","","","","","0.902","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327419","18.882","0.003","25","0.005","9.6413","0.0012","90","","90.434","0.011","90","","4551","1.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 B Cu N8 O S2 Zn -","- C47 H51 B Cu N8 O S2 Zn -","- C188 H204 B4 Cu4 N32 O4 S8 Zn4 -","4","1","","Dipesh Ghosh; Nabanita Kundu; Goutam Maity; Ki-Young Choi; Andrea Caneschi; Akira Endo; Muktimoy Chaudhury","Synthesis, Structure, Magnetism, and Spectroscopic Properties of Heterobinuclear Copper(II)-Zinc(II) Complexes and Their Copper(II)-Copper(II) Analogues in Asymmetric Ligand Environments","Inorganic Chemistry","2004","43","","6015","6023","10.1021/ic049449+","","","0.71073","MoKα","","0.2862","0.0931","","","0.1091","0.1566","","","","","","0.998","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327420","11.72","0.01","13.8","0.01","19.45","0.02","90","","103.95","0.03","90","","3053","5","153.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H39 Cu N3 O4 S -","- C30 H39 Cu N3 O4 S -","- C120 H156 Cu4 N12 O16 S4 -","4","1","","Takao Osako; Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh","C-S Bond Formation Reaction between a Phenolate and Disulfide-Bridged Dicopper(I) Complexes","Inorganic Chemistry","2004","43","","6516","6518","10.1021/ic049495+","","","0.7107","MoKα","","","0.048","","","","0.056","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327421","11.227","0.002","13.716","0.002","19.488","0.002","90","","101.568","0.009","90","","2940","0.7","159.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H39 Cu N3 O4 S -","- C30 H39 Cu N3 O4 S -","- C120 H156 Cu4 N12 O16 S4 -","4","1","","Takao Osako; Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh","C-S Bond Formation Reaction between a Phenolate and Disulfide-Bridged Dicopper(I) Complexes","Inorganic Chemistry","2004","43","","6516","6518","10.1021/ic049495+","","","0.7107","MoKα","","","0.036","","","","0.037","","","","","","0.945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327422","9.8328","0.0002","10.9153","0.0003","12.241","0.0007","82.833","0.001","74.783","0.001","81.504","0.002","1248.73","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Cl4 Hg2 N8 O6 -","- C44 H44 Cl4 Hg2 N8 O6 -","- C44 H44 Cl4 Hg2 N8 O6 -","1","0.5","","Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt","Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets","Inorganic Chemistry","2004","43","","5550","5557","10.1021/ic049500+","","","0.71073","MoKα","","0.1168","0.061","","","0.1196","0.1392","","","","","","1.007","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327423","9.0709","0.0004","10.4009","0.0005","11.575","0.0007","81.207","0.002","77.648","0.002","86.289","0.003","1053.65","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl6 Hg2 N8 O4 -","- C38 H32 Cl6 Hg2 N8 O4 -","- C38 H32 Cl6 Hg2 N8 O4 -","1","0.5","","Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt","Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets","Inorganic Chemistry","2004","43","","5550","5557","10.1021/ic049500+","","","0.71073","MoKα","","0.0522","0.0392","","","0.0789","0.0838","","","","","","1.026","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327424","9.385","0.0004","12.2421","0.0006","12.9873","0.0008","104.566","0.002","103.513","0.002","111.298","0.003","1255.11","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Br4 Hg2 N8 O6 -","- C44 H44 Br4 Hg2 N8 O6 -","- C44 H44 Br4 Hg2 N8 O6 -","1","0.5","","Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt","Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets","Inorganic Chemistry","2004","43","","5550","5557","10.1021/ic049500+","","","0.71073","MoKα","","0.0819","0.0461","","","0.0998","0.1134","","","","","","1.025","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327425","9.3375","0.0002","12.1949","0.0003","13.2506","0.0004","104.646","0.002","103.34","0.002","109.63","0.001","1289.84","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Hg2 I4 N8 O6 -","- C44 H44 Hg2 I4 N8 O6 -","- C44 H44 Hg2 I4 N8 O6 -","1","0.5","","Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt","Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets","Inorganic Chemistry","2004","43","","5550","5557","10.1021/ic049500+","","","0.71073","MoKα","","0.0661","0.0489","","","0.1274","0.1389","","","","","","1.022","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327426","15.8158","0.0008","12.3788","0.0007","14.9806","0.001","90","","110.784","0.002","90","","2742.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 F12 Hg2 N8 O14 -","- C50 H44 F12 Hg2 N8 O14 -","- C100 H88 F24 Hg4 N16 O28 -","2","0.5","","Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt","Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets","Inorganic Chemistry","2004","43","","5550","5557","10.1021/ic049500+","","","0.71073","MoKα","","0.1408","0.0569","","","0.0871","0.1047","","","","","","0.975","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327427","17.305","0.002","17.305","0.002","15.158","0.003","90","","90","","90","","4539.3","1.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C41.5 H38 Cl3.5 Hg N8 O4 -","- C41.5 H38 Cl3.5 Hg N8 O4 -","- C166 H152 Cl14 Hg4 N32 O16 -","4","0.5","","Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt","Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets","Inorganic Chemistry","2004","43","","5550","5557","10.1021/ic049500+","","","0.71073","MoKα","","0.115","0.0845","","","0.1756","0.186","","","","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327428","26.824","0.005","10.116","0.002","24.316","0.005","90","","107.43","0.03","90","","6295","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H32 Hg I2 N4 O4.25 -","- C25 H32 Hg I2 N4 O4.25 -","- C200 H256 Hg8 I16 N32 O34 -","8","1","","Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt","Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets","Inorganic Chemistry","2004","43","","5550","5557","10.1021/ic049500+","","","0.71073","MoKα","","0.1176","0.0554","","","0.1275","0.1502","","","","","","0.995","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327429","13.2142","0.0016","15.1619","0.0018","15.3635","0.0019","106.478","0.002","99.01","0.002","110.242","0.002","2656.1","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[Fe(OEPOH)(py)2].2py.0.33H2O","","","- C56 H62.67 Fe N8 O1.33 -","- C56 H62 Fe N8 O1.33 -","- C112 H124 Fe2 N16 O2.66 -","2","1","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","Reactions of meso-Hydroxyhemes with Carbon Monoxide and Reducing Agents in Search of the Elusive Species Responsible for the g= 2.006 Resonance of Carbon Monoxide-Treated Heme Oxygenase. Isolation of Diamagnetic Iron(II) Complexes of Octaethyl-meso-hydroxyporphyrin","Inorganic Chemistry","2004","43","","6357","6365","10.1021/ic049581+","","","0.71073","MoKα","","0.1499","0.0774","","","0.2057","0.2347","","","","","","0.95","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327430","10.6806","0.0015","13.4729","0.0019","13.869","0.002","78.066","0.003","76.444","0.003","86.994","0.003","1898.2","0.5","91","2","91","2","","","","","","","","5","P -1","-P 1","2","[Fe(OEPOH)(CO)(N2H4)].py","","","- C42 H53 Fe N7 O2 -","- C42 H53 Fe N7 O2 -","- C84 H106 Fe2 N14 O4 -","2","1","","Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch","Reactions of meso-Hydroxyhemes with Carbon Monoxide and Reducing Agents in Search of the Elusive Species Responsible for the g= 2.006 Resonance of Carbon Monoxide-Treated Heme Oxygenase. Isolation of Diamagnetic Iron(II) Complexes of Octaethyl-meso-hydroxyporphyrin","Inorganic Chemistry","2004","43","","6357","6365","10.1021/ic049581+","","","0.71073","MoKα","","0.1137","0.0672","","","0.1863","0.2014","","","","","","1.114","","","","has coordinates,has disorder","179377","2020-10-21","18:00:00",""
"4327431","8.1157","0.0005","9.1057","0.0008","10.7936","0.0011","72.092","0.002","68.35","0.002","88.225","0.004","702.38","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Ni(Hdepdt)2-DMF","","","- C22 H36 N6 Ni O2 S4 -","- C22 H36 N6 Ni O2 S4 -","- C22 H36 N6 Ni O2 S4 -","1","0.5","","Takashi Kubo; Misako Ohsahi; Katsuaki Miyazaki; Akio Ichimura; Kazuhiro Nakasuji","Synthesis, Structure, and Cooperative Proton-Electron Transfer Reaction of Bis(5,6-diethylpyrazinedithiolato)metal Complexes (M = Ni, Pd, Pt)","Inorganic Chemistry","2004","43","","7301","7307","10.1021/ic049621+","","","0.71069","MoKα","","0.0817","0.0662","","","0.1653","0.1746","","","","","","0.999","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327432","16.0698","0.0002","12.2833","0.0005","15.6376","0.0002","90","","97.771","0.003","90","","3058.36","0.14","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ni(Hdepdt)2-DMAC","","","- C24 H40 N6 Ni O2 S4 -","- C24 H40 N6 Ni O2 S4 -","- C96 H160 N24 Ni4 O8 S16 -","4","0.5","","Takashi Kubo; Misako Ohsahi; Katsuaki Miyazaki; Akio Ichimura; Kazuhiro Nakasuji","Synthesis, Structure, and Cooperative Proton-Electron Transfer Reaction of Bis(5,6-diethylpyrazinedithiolato)metal Complexes (M = Ni, Pd, Pt)","Inorganic Chemistry","2004","43","","7301","7307","10.1021/ic049621+","","","0.71069","MoKα","","0.1024","0.0512","","","0.1162","0.1337","","","","","","1.003","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327433","16.016","0.003","12.251","0.004","15.786","0.002","90","","97.112","0.014","90","","3073.6","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Pd(Hdepdt)2-DMAC","","","- C24 H40 N6 O2 Pd S4 -","- C24 H40 N6 O2 Pd S4 -","- C96 H160 N24 O8 Pd4 S16 -","4","0.5","","Takashi Kubo; Misako Ohsahi; Katsuaki Miyazaki; Akio Ichimura; Kazuhiro Nakasuji","Synthesis, Structure, and Cooperative Proton-Electron Transfer Reaction of Bis(5,6-diethylpyrazinedithiolato)metal Complexes (M = Ni, Pd, Pt)","Inorganic Chemistry","2004","43","","7301","7307","10.1021/ic049621+","","","0.71069","MoKα","","0.0847","0.0342","","","0.0879","0.1025","","","","","","0.966","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327434","15.905","0.015","12.227","0.009","15.752","0.014","90","","97.07","0.03","90","","3040","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Pt(Hdepdt)2-DMAC","","","- C24 H40 N6 O2 Pt S4 -","- C24 H40 N6 O2 Pt S4 -","- C96 H160 N24 O8 Pt4 S16 -","4","0.5","","Takashi Kubo; Misako Ohsahi; Katsuaki Miyazaki; Akio Ichimura; Kazuhiro Nakasuji","Synthesis, Structure, and Cooperative Proton-Electron Transfer Reaction of Bis(5,6-diethylpyrazinedithiolato)metal Complexes (M = Ni, Pd, Pt)","Inorganic Chemistry","2004","43","","7301","7307","10.1021/ic049621+","","","0.71069","MoKα","","0.0486","0.0374","","","0.0669","0.0704","","","","","","0.85","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327435","8.15","0.002","18.309","0.003","15.111","0.004","90","","91.85","0.02","90","","2253.7","0.9","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Co O S4 W3 -","- C19 H21 Co O S4 W3 -","- C76 H84 Co4 O4 S16 W12 -","4","1","","Konrad Herbst; Lutz Dahlenburg; Michael Brorson","Synthesis of the New, Cubane-like W3S4Co Cluster Core. Completion of the Homologous Series [(η5-Cp')3M3S4Co(CO)] (M = Cr, Mo, W)","Inorganic Chemistry","2004","43","","3327","3328","10.1021/ic049742+","","x-ray","0.71073","MoKα","","0.0637","0.042","","","0.0982","0.1073","","","","","","1.057","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327436","15.251","0.002","15.389","0.002","23.153","0.003","90","","90","","90","","5434","1.2","298","2","298","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C44 H56 Cl2 Cu4 N8 O13 -","- C44 H56 Cl2 Cu4 N8 O13 -","- C176 H224 Cl8 Cu16 N32 O52 -","4","0.25","","Manindranath Bera; Wing Tak Wong; Guillem Aromi; Joan Ribas; Debashis Ray","A Novel μ4-Oxo Bridged Copper Tetrahedron Derived by Self-Assembly: First Example of Double Helical Bis(Tridentate) Coordination of a Hexadentate Amine Phenol Ligand","Inorganic Chemistry","2004","43","","4787","4789","10.1021/ic049817+","","","0.7107","MoKα","","","0.0965","","","","0.1495","","","","","","3.535","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327437","16.849","0.0003","22.2966","0.0004","17.2508","0.0003","90","","94.7658","0.0005","90","","6458.3","0.2","228","2","228","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C103 H140 Cl2 Cu8 N10 O37 Si12 -","- C103 H134 Cl2 Cu8 N10 O37 Si12 -","- C206 H268 Cl4 Cu16 N20 O74 Si24 -","2","0.5","","Gian Luca Abbati; Andrea Cornia; Andrea Caneschi; Antonio Costantino Fabretti; Cecilia Mortalò","Self-Assembly of High-Nuclearity Metal Clusters: Programmed Expansion of a Metallasiloxane Cage to an Octacopper(II) Cluster","Inorganic Chemistry","2004","43","","4540","4542","10.1021/ic049898+","","x-ray","0.71069","MoKα","","0.0531","0.0332","","","0.083","0.0926","","","","","","1.021","","","","has coordinates,has disorder","201215","2020-10-21","18:00:00",""
"4327438","26.399","0.0007","26.399","0.0007","26.399","0.0007","90","","90","","90","","18397.7","0.8","193.2","","","","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C88 H90 Cu6 I6 N2 P4 -","- C88 H84 Cu6 I6 N2 P4 -","- C704 H672 Cu48 I48 N16 P32 -","8","0.0833333","","Tarlok S. Lobana; Parminderjit Kaur; Takanori Nishioka","Synthesis of an Unprecedented Bicapped Adamantoid [Cu6(μ2-I)(μ3-I)4(μ4-I)(m-tolyl3P)4(CH3CN)2] Cluster","Inorganic Chemistry","2004","43","","3766","3767","10.1021/ic049903+","","","0.7107","MoKα","","","0.0233","","","","0.0672","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331404","13.2936","","6.359","","12.401","","90","","122.118","","90","","887.868","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K2 Ag2 (Ge S4)","","- Ag2 Ge K2 S4 -","- Ag2 Ge K2 S4 -","- Ag8 Ge4 K8 S16 -","4","0.5","","Ning, G.; An, Y.; Baiyin, M.; Ji, M.; Liu, X.; Jia, C.","A solvothermal synthesis and structure of K2 Ag2 Ge S4 with the simplest helical chains","Inorganic Chemistry Communications","2004","7","","114","116","10.1016/j.inoche.2003.10.014","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331405","7.4742","","22.116","","6.2902","","90","","115.518","","90","","938.337","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rb2 Ag2 Ge S4","","- Ag2 Ge Rb2 S4 -","- Ag2 Ge Rb2 S4 -","- Ag8 Ge4 Rb8 S16 -","4","0.5","","Liu, X.; Ji, M.; Ning, G.; An, Y.; Jia, C.; Baiyin, M.","A solvothermal synthesis and structure of K2 Ag2 Ge S4 with the simplest helical chains","Inorganic Chemistry Communications","2004","7","","114","116","10.1016/j.inoche.2003.10.014","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331419","4.8107","","4.8107","","11.98","","90","","90","","90","","277.251","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ba (Au In3)","","- Au Ba In3 -","- Au0.94 Ba In3.06 -","- Au1.88 Ba2 In6.12 -","2","0.0625","","Corbett, J.D.; Liu Shengfeng","Synthesis, structure and bonding of Ba Au Tl3 and Ba Au In3: stabilization of (Ba Al4)-type examples of the heavier triels through gold substitution","Inorganic Chemistry","2004","43","","4988","4993","10.1021/ic040010r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331420","4.8604","","4.8604","","12.18","","90","","90","","90","","287.734","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ba (Au Tl3)","","- Au Ba Tl3 -","- Au Ba Tl3 -","- Au2 Ba2 Tl6 -","2","0.0625","","Corbett, J.D.; Liu Shengfeng","Synthesis, structure and bonding of Ba Au Tl3 and Ba Au In3: stabilization of (Ba Al4)-type examples of the heavier triels through gold substitution","Inorganic Chemistry","2004","43","","4988","4993","10.1021/ic040010r","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331421","21.919","","5.193","","10.447","","90","","90","","90","","1189.13","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba2 Au Tl7","","- Au Ba2 Tl7 -","- Au Ba2 Tl7 -","- Au4 Ba8 Tl28 -","4","0.5","","Liu Shengfeng; Corbett, J.D.","Ba2 Au Tl7 : an intermetallic compound with a novel condensed structure","Inorganic Chemistry","2004","43","","2471","2473","10.1021/ic035399h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331452","4.22157","","4.22157","","4.22157","","90","","90","","90","","75.235","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","K B5.67","","- B5.67 K -","- B5.6682 K -","- B5.6682 K -","1","0.0208333","","Koo, H.-J.; Ammar, A.; Chevalier, B.; Whangbo Myunghwan; Rodriguez-Carvajal, J.; Matar, S.; Villeneuve, G.; Etourneau, J.; Smirnov, A.I.; Villesuzanne, A.; Menetrier, M.","Investigation of the electronic and structural properties of potassium hexaboride, K B6, by transport, magnetic susceptibility, EPR and NMR measurements, temperature- dependent crystal structure determination and electronic band structure calculations","Inorganic Chemistry","2004","43","","4974","4987","10.1021/ic049444c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331479","18.816","0.004","22.695","0.006","23.105","0.008","90","","90","","90","","9867","5","180","","180","","","","","","","","?","8","P 21 21 21","P 2ac 2ab","19","","","","- C85 H82 Cl17 Li N3 O14.5 P Rh3 -","- C85 H77 Cl17 Li N3 O14.5 P Rh3 -","- C340 H308 Cl68 Li4 N12 O58 P4 Rh12 -","4","1","","Mimassi, Lamia; Guyard-Duhayon, Carine; Rager, Marie Noelle; Amouri, Hani","Chiral Recognition and Resolution of the Enantiomers of Supramolecular Triangular Hosts: Synthesis, Circular Dichroism, NMR, and X-ray Molecular Structure of [Li⊂(R,R,R)-{Cp*Rh(5-chloro-2,3-dioxopyridine)}3][Δ-Trisphat]","Inorganic Chemistry","2004","43","21","6644","6649","10.1021/ic049361w","","","0.71073","MoKα","","0.146","0.0809","","0.1623","0.085","0.085","","","","","","1.1145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331481","27.0703","0.0017","8.9363","0.0005","18.428","0.0011","90","","90","","90","","4457.9","0.5","223","2","","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C52 H64 Au2 Cl4 I20 N8 -","- C52 H64 Au2 Cl4 I20 N8 -","- C104 H128 Au4 Cl8 I40 N16 -","2","0.25","","Castro-Castro, Laura M.; Guloy, Arnold M.","Layered Organic-Based Metal Iodide−Polyiodide with Unique Mixed-Valent Gold(I/III) Iodide Chains","Inorganic Chemistry","2004","43","15","4537","4539","10.1021/ic049766g","","","0.71073","MoKα","","","0.0466","","","","0.1171","","","","","","1.089","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4343851","5.98139","","7.32121","","5.50425","","90","","113.518","","90","","221.015","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sr Si N2","","- N2 Si Sr -","- N2 Si Sr -","- N8 Si4 Sr4 -","4","1","","Gal, Z.A.; Mallinson, P.R.; Orchard, H.J.; Clarke, S.J.","Synthesis and structure of alkaline earth silicon nitrides: Ba Si N2, Sr Si N2, and Ca Si N2","Inorganic Chemistry","2004","43","","3998","4006","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343875","6.201","","6.201","","11.639","","90","","90","","90","","447.547","","","","","","","","","","","","","4","P 4/m c c","-P 4 2c","124","","Y K (C4 O4)2","","- C8 K O8 Y -","- C8 K O8 Y -","- C16 K2 O16 Y2 -","2","0.125","","Mahe, N.; Bataille, T.","Synthesis, crystal structure from single-crystal and powder x-ray diffraction data, and thermal behavior of mixed potassium lanthanide squarates: thermal transformations of layered [Ln (H2 O)6)] K (H2 C2 O4) (C4 O4)2 into pillared Ln K (C4 O4)2 (Ln = Y, La, Gd, Er)","Inorganic Chemistry","2004","43","","8379","8386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343885","23.412","","20.114","","7.5008","","90","","99.63","","90","","3482.42","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Pb4 Te6 Nb10 O41","","- Nb10 O41 Pb4.67 Te6 -","- Nb10 O41 Pb4.67 Te6 -","- Nb40 O164 Pb18.68 Te24 -","4","0.5","","Ok, K.M.; Halasyamani, P.S.","Asymmetric cationic coordination environments in new oxide materials: synthesis and characterization of Pb4 Te6 M10 O41 (M = Nb(5+) or Ta(5+))","Inorganic Chemistry","2004","43","","4248","4253","","","","","","","","","","","","","","","","","","","","","","has coordinates","151422","2020-10-21","18:00:00",""
"4343904","3.0184","","3.0184","","16.4929","","90","","90","","120","","130.131","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na Ru O2","","- Na O2 Ru -","- Na O2 Ru -","- Na3 O6 Ru3 -","3","0.0833333","","Shikano, M.; Delmas, C.; Darriet, J.","Na Ru O2 and Na(x) Ru O2. yH2 O: New oxide and oxyhydrate with two dimensional Ru O2 layers","Inorganic Chemistry","2004","43","","1214","1216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343947","20.2","","22.6951","","25.32","","65.676","","88.524","","86.036","","10552","","","","","","","","","","","","","6","P -1","-P 1","2","","(N H4)22 ((Eu2 P W10 O38)4 (W3 O8 (H2 O)2 (O H)4)) (H2 O)44","","- Eu8 H184 N22 O210 P4 W43 -","- Eu8 N22 O206 P4 W43 -","- Eu16 N44 O412 P8 W86 -","2","1","","Zhang, C.; Todaro, L.; Scotland, K.B.; Perez, F.G.; Howell, R.C.; Francesconi, L.C.","Aqueous speciation studies of europium(III) phosphotungstate","Inorganic Chemistry","2004","43","","7691","7701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343948","15.221","","21.87","","27.217","","90","","90.526","","90","","9059.7","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Mn12 O12 (C F3 C O O)16 (H2 O)4) (C F3 C O O H) (H2 O)7","","- C9.5 F21.5 Mn12 O45 -","- C9.5 F21.5 Mn12 O45 -","- C38 F86 Mn48 O180 -","4","1","","Zhao, H.; Berlinguette, C.P.; Tichy, S.E.; Basca, J.; Prosvirin, A.V.; Dunbar, K.R.; Bera, J.K.; Schelter, E.J.","Structural characterization, magnetic properties and electrospray mass spectrometry of two Jahn-Teller isomers of the single molecule magnet [Mn12 O12 (C F3 C O O)16 (H2 O)4]","Inorganic Chemistry","2004","43","","1359","1369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344155","15.874","","15.874","","15.874","","90","","90","","90","","3999.99","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na13 (Cd20.42 Tl6.58)","","- Cd20.42 Na13 Tl6.58 -","- Cd20.418 Na13 Tl6.582 -","- Cd81.672 Na52 Tl26.328 -","4","0.0833333","","Li Bin; Corbett, J.D.","Synthesis, structure and characterization of a cubic thallium cluster phase of the Bergman type, Na13 (Cd0.7 Tl0.3)27","Inorganic Chemistry","2004","43","","3582","3587","","","","","","","","","","","","","","","","","","","","","","has coordinates","158750","2020-10-21","18:00:00",""
"4344156","15.9121","","15.9121","","15.9121","","90","","90","","90","","4028.86","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na13 (Cd19.25 Tl7.75)","","- Cd19.25 Na13 Tl7.75 -","- Cd19.254 Na13 Tl7.746 -","- Cd77.016 Na52 Tl30.984 -","4","0.0833333","","Li Bin; Corbett, J.D.","Synthesis, structure and characterization of a cubic thallium cluster phase of the Bergman type, Na13 (Cd0.7 Tl0.3)27","Inorganic Chemistry","2004","43","","3582","3587","","","","","","","","","","","","","","","","","","","","","","has coordinates","158754","2020-10-21","18:00:00",""
"4344157","15.987","","15.987","","15.987","","90","","90","","90","","4086.02","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Na13 (Cd18.06 Tl8.94)","","- Cd18.06 Na13 Tl8.94 -","- Cd18.06 Na13 Tl8.94 -","- Cd72.24 Na52 Tl35.76 -","4","0.0833333","","Li Bin; Corbett, J.D.","Synthesis, structure and characterization of a cubic thallium cluster phase of the Bergman type, Na13 (Cd0.7 Tl0.3)27","Inorganic Chemistry","2004","43","","3582","3587","","","","","","","","","","","","","","","","","","","","","","has coordinates","158757","2020-10-21","18:00:00",""
"4344158","3.9594","","15.057","","15.216","","90","","90","","90","","907.127","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Y5 Fe2 Te2","","- Fe2 Te2 Y5 -","- Fe2 Te2 Y5 -","- Fe8 Te8 Y20 -","4","0.25","","Maggard, P.A.; Corbett, J.D.","Two-dimensional metallic chain compounds Y5 M2 Te2 (M = Fe, Co, Ni) that are related to Gd3 Mn I3. The hydride derivative Y5 Ni2 Te2 D0.4","Inorganic Chemistry","2004","43","","2556","2563","","","","","","","","","","","","","","","","","","","","","","has coordinates","158840","2020-10-21","18:00:00",""
"4344159","14.384","","4.026","","15.895","","90","","90","","90","","920.479","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Y5 Ni2 Te2 H","","- H Ni2 Te2 Y5 -","- Ni2 Te2 Y5 -","- Ni8 Te8 Y20 -","4","0.5","","Maggard, P.A.; Corbett, J.D.","Two-dimensional metallic chain compounds Y5 M2 Te2 (M= Fe, Co, Ni) that are related to Gd3 Mn I3. The hydride derivative Y5 Ni2 Te2 D0.4","Inorganic Chemistry","2004","43","","2556","2563","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344160","14.359","","4.02","","15.858","","90","","90","","90","","915.374","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Y5 Ni2 Te2 D0.41","","- D0.41 Ni2 Te2 Y5 -","- D0.41 Ni2 Te2 Y5 -","- D1.64 Ni8 Te8 Y20 -","4","0.5","","Maggard, P.A.; Corbett, J.D.","Two-dimensional metallic chain compounds Y5 M2 Te2 (M= Fe, Co, Ni) that are related to Gd3 Mn I3. The hydride derivative Y5 Ni2 Te2 D0.4","Inorganic Chemistry","2004","43","","2556","2563","","","","","","","","","","","","","","","","","","","","","","has coordinates","158842","2020-10-21","18:00:00",""
"4344164","2.8088","","4.843","","9.951","","90","","90","","90","","135.364","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Li0.56 Co O2","","- Co Li0.56 O2 -","- Co Li0.56 O2 -","- Co4 Li2.24 O8 -","4","","","Carlier, D.; Croguennec, L.; Ceder, G.; Menetrier, M.; Shao-Horn, Y.; Delmas, C.","Structural study of the T#2-(Lix Co O2) (0.52 < x <= 0.72) phase","Inorganic Chemistry","2004","43","","914","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344165","3.8169","","15.086","","9.3765","","90","","90","","90","","539.915","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Lu7 Ni2 Te2 -","- Lu7 Ni2 Te2 -","- Lu14 Ni4 Te4 -","2","0.25","","Chen Ling; Corbett, J.D.","Synthesis, structure and bonding of Lu7 Z2 Te2 (Z= Ni, Pd, Ru). Linking typical tricapped trigonal prisms in metal-rich compounds","Inorganic Chemistry","2004","43","","3371","3376","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344166","3.8841","","15.19","","9.4483","","90","","90","","90","","557.445","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Lu7 Pd2 Te2 -","- Lu7 Pd2 Te2 -","- Lu14 Pd4 Te4 -","2","0.25","","Chen Ling; Corbett, J.D.","Synthesis, structure and bonding of Lu7 Z2 Te2 (Z = Ni, Pd, Ru). Linking typical tricapped trigonal prisms in metal-rich compounds","Inorganic Chemistry","2004","43","","3371","3376","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344167","7.718","","7.718","","3.8379","","90","","90","","120","","197.986","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sc6 Rh Te2","","- Rh Sc6 Te2 -","- Rh Sc6 Te2 -","- Rh Sc6 Te2 -","1","0.0833333","","Chen Ling; Corbett, J.D.","R6 T T'2, new variants of the (Fe2 P) structure type. Sc6 T Te2 (T = Ru, Os, Rh, Ir), Lu6 Mo Sb2 and the anti-typic Sc6 Te0.80 Bi1.68","Inorganic Chemistry","2004","43","","436","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344168","7.627","","7.627","","3.864","","90","","90","","120","","194.659","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sc6 Os Te2","","- Os Sc6 Te2 -","- Os Sc6 Te2 -","- Os Sc6 Te2 -","1","0.0833333","","Chen Ling; Corbett, J.D.","R6 T T'2, new variants of the (Fe2 P) structure type. Sc6 T Te2 (T = Ru, Os, Rh, Ir), Lu6 Mo Sb2 and the anti-typic Sc6 Te0.80 Bi1.68","Inorganic Chemistry","2004","43","","436","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344169","7.6821","","7.6821","","4.0815","","90","","90","","120","","208.598","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sc6 Te0.797 Bi1.682","","- Bi1.682 Sc6 Te0.797 -","- Bi1.682 Sc6 Te0.797 -","- Bi1.682 Sc6 Te0.797 -","1","0.0833333","","Chen Ling; Corbett, J.D.","R6 T T'2, new variants of the Fe2 P structure type. Sc6 T Te2 (T = Ru, Os, Rh, Ir), Lu6 Mo Sb2 and the anti-typic Sc6 Te0.80 Bi1.68","Inorganic Chemistry","2004","43","","436","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","159492","2020-10-21","18:00:00",""
"4344170","7.935","","7.935","","4.263","","90","","90","","120","","232.456","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Lu6 Mo Sb2 -","- Lu6 Mo Sb2 -","- Lu6 Mo Sb2 -","1","0.0833333","","Chen Ling; Corbett, J.D.","R6 T T'2, new variants of the Fe2 P structure type. Sc6 T Te2 (T = Ru, Os, Rh, Ir), Lu6 Mo Sb2 and the anti-typic Sc6 Te0.80 Bi1.68","Inorganic Chemistry","2004","43","","436","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344176","3.9098","","3.9098","","15.794","","90","","90","","90","","241.436","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sr2 La2 Cu Ti3 O12","","- Cu La2 O12 Sr2 Ti3 -","- Cu La2 O12 Sr2 Ti3 -","- Cu La2 O12 Sr2 Ti3 -","1","0.0625","","Sivakumar, T.; Ramesha, K.; Lofland, S.E.; Ramanujachary, K.V.; Subbanna, G.N.; Gopalakrishnan, J.","2D - 3D transformation of layered perovskites through metathesis: synthesis of new quadruple perovskites A2 La Cu Ti3 O12 (A= Sr, Ca)","Inorganic Chemistry","2004","43","","1857","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344177","3.8729","","3.8729","","15.689","","90","","90","","90","","235.325","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ca2 La2 Cu Ti3 O12","","- Ca2 Cu La2 O12 Ti3 -","- Ca2 Cu La2 O12 Ti3 -","- Ca2 Cu La2 O12 Ti3 -","1","0.0625","","Sivakumar, T.; Ramanujachary, K.V.; Ramesha, K.; Lofland, S.E.; Gopalakrishnan, J.; Subbanna, G.N.","2D - 3D transformation of layered perovskites through metathesis: synthesis of new quadruple perovskites A2 La Cu Ti3 O12 (A= Sr, Ca)","Inorganic Chemistry","2004","43","","1857","1864","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344178","9.325","","9.325","","9.325","","90","","90","","90","","810.861","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Ru Sb3.143 -","- Ru Sb3.1425 -","- Ru8 Sb25.14 -","8","0.166667","","Smalley, A.L.E.; Johnson, S.C.; Jespersen, M.L.","Synthesis and structural evolution of Ru Sb3, a new metastable skutterudite compound","Inorganic Chemistry","2004","43","","2486","2490","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344181","13.8311","","13.8311","","13.8311","","90","","90","","90","","2645.88","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Sc3 Zn18 -","- Sc3 Zn17.999 -","- Sc24 Zn143.992 -","8","0.166667","","Lin Qisheng; Corbett, J.D.","Synthesis and structure of five (Sc3 Cuy Zn18-y)-type compositions (0< y< 2.2), 1/1 crystalline approximants of a new icosahedral quasicrystal. Direct example of tuning on the basis of size effects and Hume-Rothery concepts","Inorganic Chemistry","2004","43","","1912","1919","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344182","13.7923","","13.7923","","13.7923","","90","","90","","90","","2623.68","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sc3 (Cu0.66 Zn2.34) Zn15","","- Cu0.66 Sc3 Zn17.34 -","- Cu0.66 Sc3 Zn17.339 -","- Cu5.28 Sc24 Zn138.712 -","8","0.166667","","Lin Qisheng; Corbett, J.D.","Synthesis and structure of five (Sc3 Cuy Zn18-y)-type compositions (0< y< 2.2), 1/1 crystalline approximants of a new icosahedral quasicrystal. Direct example of tuning on the basis of size effects and Hume-Rothery concepts","Inorganic Chemistry","2004","43","","1912","1919","","","","","","","","","","","","","","","","","","","","","","has coordinates","160364","2020-10-21","18:00:00",""
"4344183","13.7598","","13.7598","","13.7598","","90","","90","","90","","2605.17","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sc3 (Cu1.486 Zn1.514) Zn15","","- Cu1.486 Sc3 Zn16.514 -","- Cu1.485 Sc3 Zn16.514 -","- Cu11.88 Sc24 Zn132.112 -","8","0.166667","","Lin Qisheng; Corbett, J.D.","Synthesis and structure of five (Sc3 Cuy Zn18-y)-type compositions (0< y< 2.2), 1/1 crystalline approximants of a new icosahedral quasicrystal. Direct example of tuning on the basis of size effects and Hume-Rothery concepts","Inorganic Chemistry","2004","43","","1912","1919","","","","","","","","","","","","","","","","","","","","","","has coordinates","160365","2020-10-21","18:00:00",""
"4344184","13.7528","","13.7528","","13.7528","","90","","90","","90","","2601.2","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sc3 (Cu2.19 Zn0.81) Zn15.25","","- Cu2.19 Sc3 Zn16.06 -","- Cu2.19 Sc3 Zn16.049 -","- Cu17.52 Sc24 Zn128.392 -","8","0.166667","","Lin Qisheng; Corbett, J.D.","Synthesis and structure of five (Sc3 Cuy Zn18-y)-type compositions (0< y< 2.2), 1/1 crystalline approximants of a new icosahedral quasicrystal. Direct example of tuning on the basis of size effectsand Hume-Rothery concepts","Inorganic Chemistry","2004","43","","1912","1919","","","","","","","","","","","","","","","","","","","","","","has coordinates","160366","2020-10-21","18:00:00",""
"4344245","6.527","","7.027","","16.191","","90","","90","","90","","742.604","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C2 F2 O3 -","- C2 F2 O3 -","- C16 F16 O24 -","8","2","","Mayer, F.; Oberhammer, H.; Burgos Paci, M.; Berkei, M.; Pernice, H.; Arguello, G.A.; Willner, H.; Bierbrauer, K.","Structural and conformational properties of fluoroformic acid anhydride, FC(O)OC(O)F","Inorganic Chemistry","2004","43","","8162","8168","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344258","5.4307","","5.8916","","5.385","","116.748","","119.63","","62.779","","127.469","","","","","","","","","","","","","3","P -1","-P 1","2","","Li7 (Sb O6)","","- Li7 O6 Sb -","- Li7 O6 Sb -","- Li7 O6 Sb -","1","0.5","","Muehle, C.; Dinnebier, R.E.; Jansen, M.; van Wuellen, L.; Schwering, G.","New insights into the structural and dynamical features of lithium hexaoxometallates Li7 M O6 (M= Nb, Ta, Sb, Bi)","Inorganic Chemistry","2004","43","","874","881","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344259","5.3793","","5.9194","","5.3792","","117.003","","119.602","","63.257","","126.936","","","","","","","","","","","","","3","P -1","-P 1","2","","Li7 (Nb O6)","","- Li7 Nb O6 -","- Li7 Nb O6 -","- Li7 Nb O6 -","1","0.5","","Muehle, C.; Dinnebier, R.E.; van Wuellen, L.; Schwering, G.; Jansen, M.","New insights into the structural and dynamical features of lithium hexaoxometallates Li7 M O6 (M = Nb, Ta, Sb, Bi)","Inorganic Chemistry","2004","43","","874","881","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344260","5.38486","","5.92014","","5.38551","","117.011","","119.613","","63.2492","","127.208","","","","","","","","","","","","","3","P -1","-P 1","2","","Li7 (Ta O6)","","- Li7 O6 Ta -","- Li7 O6 Ta -","- Li7 O6 Ta -","1","0.5","","Muehle, C.; Dinnebier, R.E.; van Wuellen, L.; Schwering, G.; Jansen, M.","New insights into the structural and dynamical features of lithium hexaoxometallates Li7 M O6 (M = Nb, Ta, Sb, Bi)","Inorganic Chemistry","2004","43","","874","881","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344265","12.568","","12.719","","18.676","","87.3","","79.9","","82.38","","2912.31","","","","","","","","","","","","","7","P 1","P 1","1","","K3 ((Pr (H2 O)4 Si W11 O39) (Na Pr2 (H2 O)12) (Pr (H2 O)4 Si W11 O39)) (H2 O)13.5","","- H67 K3 Na O111.5 Pr4 Si2 W22 -","- K3 Na O111.5 Pr4 Si2 W22 -","- K3 Na O111.5 Pr4 Si2 W22 -","1","1","","Niu, J.-Y.; Zhao, J.-W.; Wang, J.-P.","Synthesis, crystal structure and characterization of a praseodymium (III)-substituted silicotungstate with a novel 1D chain connection motif","Inorganic Chemistry Communications","2004","7","","876","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344274","8.5743","","10.9256","","5.5985","","90","","102.984","","90","","511.055","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na Sb Mo O5","","- Mo Na O5 Sb -","- Mo Na O5 Sb -","- Mo4 Na4 O20 Sb4 -","4","1","","Wang, Y.; Zhang, H.; Yu, X.; Huang, C.; Sun, Q.","Synthesis, structure and spectral properties of a novel molybdoantimonate Na Sb Mo O5","Inorganic Chemistry Communications","2004","7","","21","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344280","4.5409","","12.65","","6.9879","","90","","106.184","","90","","385.495","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La (O H) (S O4)","","- H La O5 S -","- La O5 S -","- La4 O20 S4 -","4","1","","Zhang, Q.; Lu, C.; Yang, W.; Chen, S.; Yu, Y.","Hydrothermal syntheses and crystal structures of two lanthanum compounds La(OH)SO4 and LaO(NO3)","Inorganic Chemistry Communications","2004","7","","889","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344281","7.411","","5.0498","","8.588","","90","","90","","90","","321.398","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (O H) (N O3)","","- H La N O4 -","- La N O4 -","- La4 N4 O16 -","4","0.5","","Zhang, Q.; Lu, C.; Yang, W.; Chen, S.; Yu, Y.","Hydrothermal syntheses and crystal structures of two lanthanum compounds La (O H) S O4 and La O (N O3)","Inorganic Chemistry Communications","2004","7","","889","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344521","8.6631","","8.6631","","8.6631","","90","","90","","90","","650.16","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr3 Au7.37 Al25.62 Ti","","- Al25.62 Au7.37 Sr3 Ti -","- Al25.616 Au7.374 Sr3 Ti -","- Al25.616 Au7.374 Sr3 Ti -","1","0.0208333","","Latturner, S.E.; Kanatzidis, M.G.","Formation of multinary intermetallics from reduction of perovskites by aluminium flux: M3 Au6+x Al26 Ti (M = Ca, Sr, Yb), a stuffed variant of the Ba Hg11 type","Inorganic Chemistry","2004","43","","2","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4505259","20.101","0.004","9.511","0.0019","6.67","0.0013","90","","90","","90","","1275.2","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H8 N4 O -","- C11 H8 N4 O -","- C44 H32 N16 O4 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1816","0.0701","","","0.1874","0.2429","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505260","11.12","0.002","25.49","0.005","4.023","0.0008","90","","90","","90","","1140.3","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1637","0.0562","","","0.1318","0.1659","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505261","12.262","0.003","7.108","0.0014","15.749","0.003","90","","111.69","0.03","90","","1275.5","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1026","0.0486","","","0.1287","0.1485","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505262","22.949","0.004","7.2485","0.0012","19.134","0.003","90","","114.885","0.003","90","","2887.3","0.8","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N5 -","- C15 H17 N5 -","- C120 H136 N40 -","8","1","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.056","0.0511","","","0.1482","0.155","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505264","31.973","0.012","12.074","0.004","8.297","0.003","90","","90","","90","","3203","2","153","2","153","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H19 N5 -","- C17 H19 N5 -","- C136 H152 N40 -","8","2","","Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V.","Thermally Stable Imines as New Potential Nonlinear Optical Materials","Crystal Growth & Design","2004","4","3","521","","10.1021/cg034068c","","","0.71073","MoKα","","0.1025","0.0579","","","0.112","0.1256","","","","","","0.88","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505265","21.894","0.002","14.2244","0.0015","15.8191","0.0018","90","","128.902","0.002","90","","3833.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Ag2 N6 O8 Si4 -","- C28 H40 Ag2 N6 O8 Si4 -","- C112 H160 Ag8 N24 O32 Si16 -","4","0.5","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.1388","0.0448","","","0.0962","0.1429","","","","","","0.973","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505266","22.638","0.013","14.478","0.008","15.369","0.009","90","","125.024","0.01","90","","4125","4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Ag2 Cl2 N4 O10 Si4 -","- C28 H40 Ag2 Cl2 N4 O10 Si4 -","- C112 H160 Ag8 Cl8 N16 O40 Si16 -","4","0.5","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.1936","0.0746","","","0.1816","0.264","","","","","","1.038","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505267","19.647","0.005","8.933","0.003","25.427","0.005","90","","107.01","0.03","90","","4267","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Ag2 F12 N4 O2 P2 Si4 -","- C28 H40 Ag2 F12 N4 O2 P2 Si4 -","- C112 H160 Ag8 F48 N16 O8 P8 Si16 -","4","0.5","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.0823","0.0771","","","0.2132","0.2193","","","","","","1.216","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505268","8.6214","0.0007","27.421","0.002","9.9035","0.0009","90","","92.446","0.002","90","","2339.1","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Ag F3 N2 O5 S Si2 -","- C16 H20 Ag F3 N2 O5 S Si2 -","- C64 H80 Ag4 F12 N8 O20 S4 Si8 -","4","1","","Jung, Ok-Sang; Kim, Yun Ju; Lee, Young-A; Kang, Shin Won; Choi, Sung Nak","Tunable Transannular Silver−Silver Interaction in Molecular Rectangles","Crystal Growth & Design","2004","4","1","23","","10.1021/cg0341048","","","0.71073","MoKα","","0.123","0.0555","","","0.1481","0.1815","","","","","","0.965","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505269","24.732","0.0004","7.742","0.0001","14.343","0.0003","90","","108.421","0.001","90","","2605.61","0.08","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","1:1 molecular complex of benzoic acid and pentafluorobenzoic acid","1:1 molecular complex of benzoic acid and pentafluorobenzoic acid","","- C14 H7 F5 O4 -","- C14 H7 F5 O4 -","- C112 H56 F40 O32 -","8","2","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.0864","0.0474","","","0.1022","0.1221","","","","","","1.047","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505270","7.3546","0.0003","6.0207","0.0002","14.7507","0.0005","90","","90.568","0.002","90","","653.13","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","1:1 molecular complex of benzamide and pentafluorobenzamide","1:1 molecular complex of benzamide and pentafluorobenzamide","","- C14 H9 F5 N2 O2 -","- C14 H9 F5 N2 O2 -","- C28 H18 F10 N4 O4 -","2","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.0604","0.0412","","","0.0881","0.0987","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505271","11.29","0.002","6.7326","0.0013","18.085","0.004","90","","105.04","0.03","90","","1327.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1:1 molecular complex of benzamide and pentafluorobenzoic acid","1:1 molecular complex of benzamide and pentafluorobenzoic acid","","- C14 H8 F5 N O3 -","- C14 H8 F5 N O3 -","- C56 H32 F20 N4 O12 -","4","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.078","0.0421","","","0.1012","0.1165","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505272","12.749","0.003","6.1977","0.0012","9.5974","0.0019","90","","99.94","0.03","90","","747","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pentafluorobenzamide","pentafluorobenzamide","","- C7 H2 F5 N O -","- C7 H2 F5 N O -","- C28 H8 F20 N4 O4 -","4","1","","Reddy, L. Sreenivas; Nangia, Ashwini; Lynch, Vincent M.","Phenyl-Perfluorophenyl Synthon Mediated Cocrystallization of Carboxylic Acids and Amides","Crystal Growth & Design","2004","4","1","89","","10.1021/cg034106s","","","0.71073","MoKα","","0.1869","0.0678","","","0.1366","0.1764","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505273","6.7682","0.0019","27.871","0.008","8.581","0.003","90","","98.4","0.006","90","","1601.3","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ag F6 N4 P S -","- C12 H8 Ag F6 N4 P S -","- C48 H32 Ag4 F24 N16 P4 S4 -","4","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0737","0.0449","","","0.0837","0.0918","","","","","","1.069","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505274","6.92","0.003","28.322","0.014","7.779","0.004","90","","102.234","0.008","90","","1490","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ag Cl N4 O4 S -","- C12 H8 Ag Cl N4 O4 S -","- C48 H32 Ag4 Cl4 N16 O16 S4 -","4","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0666","0.0468","","","0.0894","0.0972","","","","","","0.998","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505275","14.4598","0.0002","15.0176","0.0001","15.0598","0.0002","70.867","0.001","64.275","0.001","76.407","0.001","2766.81","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Ag4 N20 O12 S4 -","- C48 H32 Ag4 N20 O12 S4 -","- C96 H64 Ag8 N40 O24 S8 -","2","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0859","0.0564","","","0.1297","0.1571","","","","","","1.182","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505276","6.4369","0.0019","11.095","0.003","11.422","0.003","81.59","0.005","88.922","0.005","83.274","0.005","801.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H8 Ag F3 N4 O3 S2 -","- C13 H8 Ag F3 N4 O3 S2 -","- C26 H16 Ag2 F6 N8 O6 S4 -","2","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.0468","0.0331","","","0.0749","0.0888","","","","","","1.087","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505277","5.536","0.004","16.555","0.008","16.677","0.008","90","","95.475","0.013","90","","1521.4","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Ag F3 N4 O4 S -","- C13 H8 Ag F3 N4 O4 S -","- C52 H32 Ag4 F12 N16 O16 S4 -","4","1","","Huang, Zheng; Du, Miao; Song, Hai-Bin; Bu, Xian-He","Effect of Anions on the Framework Formation of Novel AgICoordination Polymers with Angular Bridging Ligands","Crystal Growth & Design","2004","4","1","71","","10.1021/cg0341095","","","0.71073","MoKα","","0.1201","0.0546","","","0.0777","0.0919","","","","","","1.014","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505278","15.611","0.006","13.561","0.006","16.79","0.007","90","","95.629","0.007","90","","3537","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Ag N3 O3 S4 -","- C15 H10 Ag N3 O3 S4 -","- C120 H80 Ag8 N24 O24 S32 -","8","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.0917","0.0588","","","0.1187","0.1304","","","","","","1.128","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505279","11.518","0.003","14.148","0.004","13.899","0.004","90","","112.123","0.004","90","","2098.2","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Ag2 Cl2 N4 O10 S8 -","- C30 H20 Ag2 Cl2 N4 O10 S8 -","- C60 H40 Ag4 Cl4 N8 O20 S16 -","2","0.5","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.0582","0.0417","","","0.1117","0.1242","","","","","","1.015","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505280","9.786","0.004","10.5","0.004","13.263","0.005","98.842","0.008","92.006","0.007","116.65","0.006","1195.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H15 Ag Cl3 N3 O3 S4 -","- C18 H15 Ag Cl3 N3 O3 S4 -","- C36 H30 Ag2 Cl6 N6 O6 S8 -","2","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1112","0.051","","","0.0953","0.1125","","","","","","0.998","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505281","23.239","0.012","6.001","0.003","16.245","0.008","90","","109.009","0.009","90","","2141.9","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag Cl N2 O4 S4 -","- C18 H16 Ag Cl N2 O4 S4 -","- C72 H64 Ag4 Cl4 N8 O16 S16 -","4","0.5","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1009","0.074","","","0.1841","0.2052","","","","","","1.055","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505282","23.233","0.012","6.001","0.003","16.228","0.009","90","","109.078","0.01","90","","2138.3","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag B F4 N2 S4 -","- C18 H16 Ag B F4 N2 S4 -","- C72 H64 Ag4 B4 F16 N8 S16 -","4","0.5","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1293","0.0687","","","0.1529","0.1778","","","","","","1.014","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505283","10.055","0.004","10.369","0.004","14.029","0.006","80.831","0.007","86.92","0.006","65.435","0.006","1313.2","0.9","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H19 Ag Cl3 N3 O3 S4 -","- C20 H19 Ag Cl3 N3 O3 S4 -","- C40 H38 Ag2 Cl6 N6 O6 S8 -","2","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.0755","0.0457","","","0.1124","0.1298","","","","","","1.022","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505284","12.094","0.005","13.077","0.005","16.097","0.006","108.992","0.007","94.586","0.007","107.799","0.007","2246","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 Ag2 Cl2 N4 O8 S8 -","- C38 H36 Ag2 Cl2 N4 O8 S8 -","- C76 H72 Ag4 Cl4 N8 O16 S16 -","2","1","","Zou, Ru-Qiang; Li, Jian-Rong; Xie, Ya-Bo; Zhang, Ruo-Hua; Bu, Xian-He","Tuning the Framework Formation of Silver(I) Complexes with Flexible Bis(benzothiazol-2-ylsulfanyl)alkanes by Varying the Ligand Spacers and Counteranions","Crystal Growth & Design","2004","4","1","79","","10.1021/cg0341149","","","0.71073","MoKα","","0.1165","0.0597","","","0.148","0.1763","","","","","","1.03","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505285","8.5983","0.0015","13.1561","0.0019","13.46","0.002","90","","92.47","0.005","90","","1521.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H16 Be3 N2 O12 P4 -","- C3 H16 Be3 N2 O12 P4 -","- C12 H64 Be12 N8 O48 P16 -","4","1","","Fu, Wensheng; Wang, Lei; Shi, Zhan; Li, Guanghua; Chen, Xiaobo; Dai, Zhimin; Yang, Lei; Feng, Shouhua","The First Organically Templated Beryllium Phosphite [NH3(CH2)3NH3]·Be3(HPO3)4: Hydrothermal Synthesis and X-ray Crystal Structure","Crystal Growth & Design","2004","4","2","297","","10.1021/cg034116t","","","0.71073","MoKα","","0.035","0.0325","","","0.096","0.0976","","","","","","1.061","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505286","13.537","0.003","9.918","0.001","11.304","0.002","90","","109.31","0.01","90","","1432.3","0.4","297.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C56 H68 N16 O8 -","4","1","","Nagashima, Hideaki; Fujita, Shin'ya; Inoue, Hidenari; Yoshioka, Naoki","Metamagnetic Behavior Observed in Purely Organic 5-Azaindol-2-yl Nitronyl Nitroxide Brick-Wall Architecture","Crystal Growth & Design","2004","4","1","19","","10.1021/cg0341205","","","0.71073","MoKα","","","0.045","","","","0.141","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505287","7.0936","0.0007","8.5462","0.0008","14.1966","0.0014","90","","109.147","0.001","90","","813.03","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Supramolecular complex between cyananilic acid, 2,2'-bipyrimidine and water","","","- C16 H12 N6 O6 -","- C16 H12 N6 O6 -","- C32 H24 N12 O12 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","Supramolecular Grid and Layer Architectures. Hydrogen Bonds and Halogen−Halogen Interactions Influenced by Bromo-, Chloro-, and Cyano-Substituted Anilic Acids","Crystal Growth & Design","2004","4","3","585","","10.1021/cg034134a","","","0.7107","MoKα","","0.0379","0.0294","","","0.0798","0.0832","","","","","","1.072","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505288","25.79","0.002","3.7148","0.0003","17.2252","0.0014","90","","100.081","0.002","90","","1624.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Supramolecular complex between chloranilic acid, 2,2'-bipyrimidine and water","","","- C20 H20 Cl2 N4 O4 -","- C28 H24 Cl4 N8 O12 -","- C56 H48 Cl8 N16 O24 -","2","0.25","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","Supramolecular Grid and Layer Architectures. Hydrogen Bonds and Halogen−Halogen Interactions Influenced by Bromo-, Chloro-, and Cyano-Substituted Anilic Acids","Crystal Growth & Design","2004","4","3","585","","10.1021/cg034134a","","","0.7107","MoKα","","0.0636","0.0387","","","0.0797","0.0867","","","","","","0.951","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505289","19.769","0.0019","3.7834","0.0004","24.983","0.002","90","","93.919","0.002","90","","1864.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Supramolecular complex between bromanilic acid, 2,2'-bipyrimidine and water","","","- C14 H16 Br2 N4 O8 -","- C14 H16 Br2 N4 O8 -","- C56 H64 Br8 N16 O32 -","4","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","Supramolecular Grid and Layer Architectures. Hydrogen Bonds and Halogen−Halogen Interactions Influenced by Bromo-, Chloro-, and Cyano-Substituted Anilic Acids","Crystal Growth & Design","2004","4","3","585","","10.1021/cg034134a","","","0.7107","MoKα","","0.0536","0.0382","","","0.0857","0.0903","","","","","","0.988","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505290","8.2681","0.0008","5.257","0.0003","15.7174","0.0009","90","","99.097","0.008","90","","674.57","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(4-Methylbenzoyl)-a-methylbenzylamine","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.087","0.0465","","","0.0987","0.1158","","","","","","1.011","","","","has coordinates,has disorder","179587","2020-10-21","18:00:00",""
"4505291","12.332","0.001","9.731","0.001","22.926","0.001","90","","90","","90","","2751.2","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(rac)-N-(4-Methylbenzoyl)-a-methylbenzylamine","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0488","0.0336","","","0.0752","0.0866","","","","","","1.11","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505292","8.5535","0.001","9.89","0.0007","33.038","0.003","90","","90","","90","","2794.8","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(4-Nitrobenzoyl)-a-methylbenzylamine","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.1188","0.0613","","","0.1336","0.1599","","","","","","1.061","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505293","11.885","0.0001","5.455","0.0001","40.4438","0.0006","90","","95.367","0.001","90","","2610.58","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0817","0.0448","","","0.0985","0.1141","","","","","","1.024","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505294","9.4413","0.0009","5.9721","0.0007","23.394","0.003","90","","93.67","0.009","90","","1316.4","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(4-Methylbenzoyl)-a-methylbenzylamine/(S)-N-(4-Nitrobenzoyl)-a- methylbenzylamine","","- C31 H31 N3 O4 -","- C31 H31 N3 O4 -","- C62 H62 N6 O8 -","2","1","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.0823","0.0467","","","0.095","0.1222","","","","","","1.038","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505295","10.301","0.003","10.301","0.003","65.44","0.03","90","","90","","120","","6014","4","273","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Zn(besb)3.(ClO4)2","","","- C24 H54 Cl2 O14 S6 Zn -","- C24 H54 Cl2 O14 S6 Zn -","- C144 H324 Cl12 O84 S36 Zn6 -","6","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Novel Noninterpenetrating (3,6) Topological Coordination Networks Assembled from Flexiblemeso-Bis(Sulfinyl) Bridging Ligands","Crystal Growth & Design","2004","4","2","219","","10.1021/cg0341398","","","0.71073","MoKα","","0.1204","0.0714","","","0.2037","0.2358","","","","","","1.013","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505296","10.593","0.002","10.593","0.002","49.319","0.009","90","","90","","120","","4792.7","1.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","Zn(bbsb).(ClO4)2.(CHCl3)","","","- C37 H79 Cl5 O14 S6 Zn -","- C37 H79 Cl5 O14 S6 Zn -","- C111 H237 Cl15 O42 S18 Zn3 -","3","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Novel Noninterpenetrating (3,6) Topological Coordination Networks Assembled from Flexiblemeso-Bis(Sulfinyl) Bridging Ligands","Crystal Growth & Design","2004","4","2","219","","10.1021/cg0341398","","","0.71073","MoKα","","0.1605","0.0754","","","0.1475","0.1765","","","","","","1.016","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505297","10.718","0.002","45.123","0.01","19.208","0.004","90","","101.884","0.004","90","","9090","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C98 H134 Cl4 -","- C98 H134 Cl2.802 -","- C392 H536 Cl11.208 -","4","1","","Khuong, Tinh-Alfredo V.; Zepeda, Gerardo; Ruiz, Rebecca; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Molecular Compasses and Gyroscopes: Engineering Molecular Crystals with Fast Internal Rotation","Crystal Growth & Design","2004","4","1","15","","10.1021/cg034144b","","","0.71073","MoKα","","0.2799","0.1184","","","0.3018","0.3695","","","","","","1.018","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505298","16.632","0.004","10.47","0.002","17.549","0.004","90","","114.53","0.01","90","","2780.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C132 H108 N12 O12 -","4","1","","Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.","An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand","Crystal Growth & Design","2004","4","1","29","","10.1021/cg0341454","","","0.71073","MoKα","","0.1973","0.0906","","0.3204","0.235","","","","1.016","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505299","30.7623","0.0019","8.6307","0.0005","25.0032","0.0015","90","","118.669","0.002","90","","5824.5","0.6","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N3 O3.5 -","- C34 H27 N3 O3.5 -","- C272 H216 N24 O28 -","8","1","","Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.","An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand","Crystal Growth & Design","2004","4","1","29","","10.1021/cg0341454","","","0.71073","MoKα","","0.0911","0.06","","0.1986","0.1747","","","","1.093","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505300","8.739","0.003","17.023","0.006","23.119","0.008","90","","94.077","0.009","90","","3431","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Ag F3 N3 O6.5 S -","- C34 H27 Ag F3 N3 O6.5 S -","- C136 H108 Ag4 F12 N12 O26 S4 -","4","1","","Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.","An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand","Crystal Growth & Design","2004","4","1","29","","10.1021/cg0341454","","","0.71073","MoKα","","0.1532","0.0592","","0.196","0.1417","","","","0.967","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505301","16.898","0.002","11.011","0.001","11.022","0.003","90","","90","","90","","2050.8","0.6","212.5","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H36 O5 -","- C22 H36 O5 -","- C88 H144 O20 -","4","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0","","","","0.0992","","","","","","1.212","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505302","10.834","0.003","15.354","0.006","7.745","0.004","93.77","0.02","109","0.03","79.99","0.02","1199.6","0.9","213.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C50 H84 O13 -","- C50 H76 O13 -","- C50 H76 O13 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.092","","","","0.2259","","","","","","1.207","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505303","11.711","0.001","15.748","0.008","10.514","0.001","101.75","0.02","113.468","0.007","105.05","0.02","1611.2","0.9","211.5","","","","","","","","","","","3","P 1","P 1","1","","","","- C70 H100 O13 -","- C70 H93 O13 -","- C70 H93 O13 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.092","","","","0.2651","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505304","12.3553","0.0008","15.0734","0.0009","10.2995","0.0008","98.553","0.002","99.218","0.003","88.287","0.003","1872.3","0.2","198.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C86 H116 O14 -","- C86 H116 O14 -","- C86 H116 O14 -","1","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","1.5418","CuKα","","","0.0647","","","","0.1686","","","","","","2.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505305","12.264","0.002","14.452","0.007","8.178","0.002","90.48","0.03","92.88","0.01","105.19","0.02","1396.7","0.8","288.2","","","","","","","","","","","3","P 1","P 1","1","","","","- C29 H48 O7 -","- C29 H48 O7 -","- C58 H96 O14 -","2","2","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","0.7107","MoKα","","","0.0515","","","","0.1228","","","","","","1.766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505306","11.5419","0.0005","11.5419","0.0005","69.338","0.004","90","","90","","90","","9236.9","0.8","296.2","","","","","","","","","","","3","P 41","P 4w","76","","","","- C100 H168 O20 -","- C100 H168 O20 -","- C400 H672 O80 -","4","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","1.5418","CuKα","","","0.1715","","","","0.4185","","","","","","4.831","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505307","6.8127","0.0014","8.6378","0.0017","14.336","0.003","104.58","0.03","94.8","0.03","104.5","0.03","780.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis(isonicotinamide)-silver(I)tetraflouroborate","","- C12 H12 Ag B F4 N4 O2 -","- C12 H12 Ag B F4 N4 O2 -","- C24 H24 Ag2 B2 F8 N8 O4 -","2","1","","Bhogala, Balakrishna R.; Thallapally, Praveen K.; Nangia, Ashwini","1:2 and 1:1 Ag(I)-Isonicotinamide Coordination Compounds: Five-Fold Interpenetrated CdSO4Network and the First Example of (Pyridine)N−Ag−O(Amide) Bonds","Crystal Growth & Design","2004","4","2","215","","10.1021/cg034157p","","","0.71073","MoKα","","0.0294","0.0237","","","0.0636","0.0738","","","","","","1.173","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505308","8.118","0.004","12.011","0.013","9.315","0.009","90","","94.91","0.06","90","","904.9","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","isonicotinamide-silver(I)tetraflouroborate","","- C6 H6 Ag B F4 N2 O -","- C6 H6 Ag B F4 N2 O -","- C24 H24 Ag4 B4 F16 N8 O4 -","4","1","","Bhogala, Balakrishna R.; Thallapally, Praveen K.; Nangia, Ashwini","1:2 and 1:1 Ag(I)-Isonicotinamide Coordination Compounds: Five-Fold Interpenetrated CdSO4Network and the First Example of (Pyridine)N−Ag−O(Amide) Bonds","Crystal Growth & Design","2004","4","2","215","","10.1021/cg034157p","","","0.71073","MoKα","","0.0413","0.037","","","0.102","0.1179","","","","","","1.227","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4505309","5.7692","0.0003","7.9733","0.0004","10.1316","0.0005","79.224","0.003","89.598","0.003","81.603","0.003","452.82","0.04","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C18 H28 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0835","0.0511","","","0.1004","0.1103","","","","","","1.032","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505310","6.018","0.0004","9.788","0.0007","9.934","0.0008","108.985","0.004","90.136","0.004","96.233","0.004","549.61","0.07","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C22 H36 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0789","0.0492","","","0.0987","0.1104","","","","","","0.972","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505311","6.925","0.0001","7.7","0.0002","10.473","0.0002","104.648","0.0009","103.713","0.0009","91.751","0.0009","522.456","0.019","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C24 H24 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0762","0.043","","","0.0984","0.112","","","","","","1.017","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505312","5.6414","0.0004","10.0737","0.0007","8.6069","0.0006","90","","96.624","0.004","90","","485.86","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H16 N2 O2 -","- C10 H17 N2 O2 -","- C20 H34 N4 O4 -","2","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0715","0.0485","","","0.0992","0.1071","","","","","","1.032","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505313","5.628","0.0001","10.236","0.0002","13.268","0.0003","90","","91.112","0.0009","90","","764.2","0.03","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0468","0.0395","","","0.0982","0.1035","","","","","","1.022","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505314","9.7","0.0003","7.43","0.0002","9.909","0.0004","90","","94.565","0.0013","90","","711.89","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0508","0.0402","","","0.1064","0.1134","","","","","","1.045","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505315","10.535","0.002","9.0614","0.0018","8.4297","0.0017","90","","90","","90","","804.7","0.3","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0608","0.0413","","","0.1076","0.1175","","","","","","1.087","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505316","15.446","0.0006","9.998","0.0008","6.877","0.0014","90","","90","","90","","1062","0.2","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H14 N2 O2 -","- C13 H15 N2 O2 -","- C52 H60 N8 O8 -","4","0.5","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.1023","0.0499","","","0.095","0.1112","","","","","","0.976","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505317","11.627","0.0005","9.5935","0.0005","12.1741","0.0005","90","","117.99","0.002","90","","1199.1","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.0651","0.0443","","","0.0844","0.0906","","","","","","1.067","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505318","10.525","0.0003","10.602","0.0003","11.552","0.0003","98.285","0.0011","91.303","0.0011","109.832","0.0012","1196.38","0.06","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","2","","Brewer, Jason T.; Parkin, Sean; Grossman, Robert B.","A Systematic Study of the Relationship between Molecular and Crystal Structure among 3,5-Diazabicyclo[2.2.2]octane-2,6-diones","Crystal Growth & Design","2004","4","3","591","","10.1021/cg0341609","","","0.71073","MoKα","","0.1104","0.0484","","","0.0974","0.1168","","","","","","0.948","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505319","14.023","0.003","10.946","0.003","17.408","0.003","90","","102.47","0.02","90","","2609","1","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H32 Cu F3 N3 O4 -","- C22 H32 Cu F3 N3 O4 -","- C88 H128 Cu4 F12 N12 O16 -","4","2","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0788","0.0502","","","0.1262","0.139","","","","","","0.892","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505320","24.813","0.003","10.982","0.001","19.813","0.003","90","","109.88","0.01","90","","5077.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H29 Cu F3 N3 O4 -","- C21 H29 Cu F3 N3 O4 -","- C168 H232 Cu8 F24 N24 O32 -","8","1","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0827","0.0526","","","0.1242","0.1338","","","","","","0.844","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505321","14.202","0.003","11.245","0.001","16.65","0.002","90","","101.78","0.01","90","","2603","0.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C22 H31 Cu F3 N3 O4 -","- C22 H31 Cu F3 N3 O4 -","- C88 H124 Cu4 F12 N12 O16 -","4","2","","Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.","1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates","Crystal Growth & Design","2004","4","3","595","","10.1021/cg034168i","","","0.71069","MoKα","","0.0642","0.0346","","","0.0815","0.0964","","","","","","0.537","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505322","20.969","0.005","22.052","0.005","37.511","0.01","81.838","0.006","76.68","0.006","87.209","0.007","16706","7","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C372 H336 N48 O78 -","- C372 H264 N48 O78 -","- C744 H528 N96 O156 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities","Crystal Growth & Design","2004","4","2","211","","10.1021/cg0341914","","","0.71073","MoKα","","0.163","0.121","","","0.3147","0.3599","","","","","","1.028","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505323","39.852","0.004","38.196","0.004","15.095","0.002","90","","90","","90","","22977","5","90","1","90","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C128 H124 N12 O18 -","- C128 H88 N12 O18 -","- C1024 H704 N96 O144 -","8","1","","Ma, Bao-Qing; Coppens, Philip","Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities","Crystal Growth & Design","2004","4","2","211","","10.1021/cg0341914","","","0.71073","MoKα","","0.3401","0.1465","","","0.3878","0.4787","","","","","","1.171","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505324","8.1657","0.0002","8.6329","0.0002","11.2093","0.0003","75.0558","0.001","85.0939","0.0011","88.4651","0.0015","760.65","0.03","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 Au2 N2 O8 S4 -","- C22 H40 Au2 N2 O8 S4 -","- C22 H40 Au2 N2 O8 S4 -","1","0.5","","Tzeng, Biing-Chiau; Liu, Wei-Hsin; Liao, Ju-Hsiou; Lee, Gene-Hsiang; Peng, Shie-Ming","Self-Assembly of Gold(I) Compounds with (Aza-15-crown-5)dithiocarbamate and 2-Mercapto-4-methyl-5-thiazoleacetic Acid","Crystal Growth & Design","2004","4","3","573","","10.1021/cg034198l","","","0.71073","MoKα","","0.0565","0.0427","","","0.1013","0.1157","","","","","","1.079","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505325","14.3972","0.0009","14.3972","0.0009","26.008","0.003","90","","90","","90","","5390.9","0.8","273","2","273","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C9 H13 Au N2 O3 S2 -","- C9 H13 Au N2 O3 S2 -","- C144 H208 Au16 N32 O48 S32 -","16","1","","Tzeng, Biing-Chiau; Liu, Wei-Hsin; Liao, Ju-Hsiou; Lee, Gene-Hsiang; Peng, Shie-Ming","Self-Assembly of Gold(I) Compounds with (Aza-15-crown-5)dithiocarbamate and 2-Mercapto-4-methyl-5-thiazoleacetic Acid","Crystal Growth & Design","2004","4","3","573","","10.1021/cg034198l","","","0.71073","MoKα","","0.0622","0.036","","","0.0833","0.0892","","","","","","0.896","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505326","6.7305","0.0018","14.029","0.004","6.2309","0.0016","90","","116.368","0.004","90","","527.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","1","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","An Experimental and Theoretical Search for Polymorphs of Barbituric Acid: The Challenges of Even Limited Conformational Flexibility","Crystal Growth & Design","2004","4","5","979","","10.1021/cg034209a","","","0.71073","MoKα","","0.0455","0.0394","","","0.0981","0.1017","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505327","8.0828","0.0011","12.5828","0.0016","9.7644","0.0013","90","","96.15","0.002","90","","987.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C32 H32 N16 O24 -","8","2","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","An Experimental and Theoretical Search for Polymorphs of Barbituric Acid: The Challenges of Even Limited Conformational Flexibility","Crystal Growth & Design","2004","4","5","979","","10.1021/cg034209a","","","0.71073","MoKα","","0.0717","0.056","","","0.1234","0.1301","","","","","","1.099","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505328","8.0309","0.0014","11.98","0.002","7.8139","0.0013","90","","107.038","0.003","90","","718.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","1","","Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.","An Experimental and Theoretical Search for Polymorphs of Barbituric Acid: The Challenges of Even Limited Conformational Flexibility","Crystal Growth & Design","2004","4","5","979","","10.1021/cg034209a","","","0.71073","MoKα","","0.0826","0.0651","","","0.1379","0.147","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505329","12.77","0.001","9.931","0.001","15.56","0.001","90","0.01","107.95","0.01","90","0.01","1877.3","0.3","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","Piperidine anhydrate","4-(2,6-difluoro-4-{(5R)-5-[(3-isoxazolyl]-2-oxo-1,3- oxazolan-3-yl}phenyl)-1,2,3,6-tetrahydropyridinium chloride","","- C18 H18 Cl F2 N3 O4 -","- C18 H18 Cl F2 N3 O4 -","- C72 H72 Cl4 F8 N12 O16 -","4","2","","Black, Simon N.; Cuthbert, Murray W.; Roberts, Ron J.; Stensland, Birgitta","Increased Chemical Purity Using a Hydrate","Crystal Growth & Design","2004","4","3","539","","10.1021/cg034222v","","","0.71073","MoKα","","0.07","0.036","","0.106","0.046","","","","1.817","1.069","1.069","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505330","21.675","0.001","5.897","0.001","16.129","0.001","90","0.01","115.1","0.01","90","0.01","1866.9","0.4","200","","","","","","","","","","","6","C 1 2 1","C 2y","5","Piperidine Hydrate","4-(2,6-difluoro-4-{(5R)-5-[(3-isoxazolyl]-2-oxo-1,3- oxazolan-3-yl}phenyl)-1,2,3,6-tetrahydropyridinium chloride monohydrate","","- C18 H21 Cl F2 N3 O5 -","- C18 H21 Cl F2 N3 O5 -","- C72 H84 Cl4 F8 N12 O20 -","4","1","","Black, Simon N.; Cuthbert, Murray W.; Roberts, Ron J.; Stensland, Birgitta","Increased Chemical Purity Using a Hydrate","Crystal Growth & Design","2004","4","3","539","","10.1021/cg034222v","","","0.71073","MoKα","","0.061","0.041","","0.069","0.059","","","","1.714","1.435","1.435","1.435","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505331","7.1933","0.0018","9.374","0.002","9.9","0.002","87.55","0.004","68.912","0.004","78.787","0.004","610.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H9 Ag3 N2 O8 -","- C5 H9 Ag3 N2 O8 -","- C10 H18 Ag6 N4 O16 -","2","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0531","0.0413","","","0.1014","0.1069","","","","","","0.99","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505332","7.6856","0.0003","7.6856","0.0003","11.9467","0.001","90","","90","","90","","705.67","0.07","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C6 H2 Ag2 N2 O4 -","- C6 H2 Ag2 N2 O4 -","- C24 H8 Ag8 N8 O16 -","4","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0201","0.0197","","","0.0475","0.0476","","","","","","1.086","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505333","7.705","0.002","16.246","0.003","7.291","0.001","90","","115.19","0.03","90","","825.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Ag2 N2 O5 -","- C6 H4 Ag2 N2 O5 -","- C24 H16 Ag8 N8 O20 -","4","1","","Yang, Jin-Hua; Zheng, Shao-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses, Structures, and Photoluminescent Properties of Three Silver(I) Cluster-Based Coordination Polymers with Heteroaryldicarboxylate","Crystal Growth & Design","2004","4","4","831","","10.1021/cg0342258","","","0.71073","MoKα","","0.0766","0.0661","","","0.1344","0.1375","","","","","","1.284","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505334","9.6455","0.0005","10.9229","0.0007","11.9761","0.0015","90","","112.932","0.007","90","","1162.04","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.0596","0.0363","","","0.0982","0.1093","","","","","","1.028","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505335","14.295","0.0009","11.766","0.0007","9.813","0.0014","90","0.008","116.214","0.007","90","0.005","1480.7","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.0943","0.0492","","","0.124","0.1448","","","","","","1.067","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505336","7.47","0.001","11.128","0.001","22.552","0.002","85.075","0.007","88.712","0.009","72.509","0.008","1781.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 N4 Na0 O21 S3 -","- C28 H36 N4 O21 S3 -","- C56 H72 N8 O42 S6 -","2","1","","Banerjee, Subarna; Murugavel, Ramaswamy","Formation of One-Dimensional Water Inside an Organic Solid: Supramolecular Architectures Derived by the Interaction of Aminobenzoic Acids with Nitrogen Bases and H2SO4†","Crystal Growth & Design","2004","4","3","545","","10.1021/cg034229c","","","0.71073","MoKα","","0.1103","0.0573","","","0.1453","0.1699","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505337","21.6736","0.0007","8.7163","0.0003","14.5737","0.0005","90","","90","","90","","2753.17","0.16","161","2","161","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 Ag B11 F11 -","- C21 H19 Ag B11 F11 -","- C84 H76 Ag4 B44 F44 -","4","1","","Ivanov, Sergei V.; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structure of Ag(CHPh3)(1-Me-CB11F11). Trigonal-Planar Ag(Arene)3+Cations, Polymeric {Ag(CHPh3)+}∞Triangular-Net Layers, and Partially Aligned Interstitial Carborane Anions in a Polar Crystal","Crystal Growth & Design","2004","4","2","249","","10.1021/cg034230b","","","0.71073","MoKα","","0.1198","0.0709","","","0.1058","0.1211","","","","","","1.078","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505338","16.571","0.003","26.888","0.005","17.525","0.003","90","","90","","90","","7808","2","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C312 H368 Cl16 Mn8 N48 O16 -","- C39 H42 Cl2 Mn N6 O2 -","- C312 H336 Cl16 Mn8 N48 O16 -","8","0.5","","Ghosh, A. K.; Ghoshal, D.; Lu, T.-H.; Mostafa, G.; Chaudhuri, N. Ray","Novel Solid-State Molecular Self-Assemblies of Manganese (II) Constructed with Flexible Ligands: Influences of π−π and C−H···π Interactions on Their Crystal Packing","Crystal Growth & Design","2004","4","4","851","","10.1021/cg034238l","","","0.71073","MoKα","","0.2683","0.0723","","","0.096","0.1292","","","","","","0.856","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505339","10.0367","0.0009","11.7471","0.001","19.6587","0.0017","100.199","0.002","96.287","0.002","93.394","0.002","2260.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Mn N12 O6 S6 -","- C34 H36 Mn N12 O6 S6 -","- C68 H72 Mn2 N24 O12 S12 -","2","1","","Ghosh, A. K.; Ghoshal, D.; Lu, T.-H.; Mostafa, G.; Chaudhuri, N. Ray","Novel Solid-State Molecular Self-Assemblies of Manganese (II) Constructed with Flexible Ligands: Influences of π−π and C−H···π Interactions on Their Crystal Packing","Crystal Growth & Design","2004","4","4","851","","10.1021/cg034238l","","","0.71073","MoKα","","0.1213","0.058","","","0.0929","0.1063","","","","","","0.953","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505340","18.907","0.002","14.565","0.003","21.414","0.004","90","","90","","90","","5897","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Co3 Na O25.5 -","- C18 H32 Co3 Na O25.5 -","- C144 H256 Co24 Na8 O204 -","8","1","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Structural Variability of Cobalt(II) Coordination Polymers: Three Polymorphs of Co3(TMA)2[TMA = Trimesate, C6H3(COO)33-]","Crystal Growth & Design","2004","4","3","599","","10.1021/cg0342415","","","0.71073","MoKα","","0.0562","0.0402","","","0.1017","0.1103","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505341","6.6542","0.0005","10.7114","0.0007","12.3565","0.0007","99.008","0.004","102.553","0.006","107.344","0.007","797.08","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H42 Co3 O30 -","- C18 H42 Co3 O30 -","- C18 H42 Co3 O30 -","1","0.5","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Structural Variability of Cobalt(II) Coordination Polymers: Three Polymorphs of Co3(TMA)2[TMA = Trimesate, C6H3(COO)33-]","Crystal Growth & Design","2004","4","3","599","","10.1021/cg0342415","","","0.71073","MoKα","","0.0386","0.03","","","0.0752","0.0794","","","","","","1.024","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505342","7.9231","0.0012","13.894","0.002","7.9231","0.0012","90","","114.48","","90","","793.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metformin HCl form I","N,N-Dimethylimidodicarbonimidic diamide hydrochloride","","- C4 H12 Cl N5 -","- C4 H12 Cl N5 -","- C16 H48 Cl4 N20 -","4","1","","Childs, Scott L.; Chyall, Leonard J.; Dunlap, Jeanette T.; Coates, David A.; Stahly, Barbara C.; Stahly, G. Patrick","A Metastable Polymorph of Metformin Hydrochloride: Isolation and Characterization Using Capillary Crystallization and Thermal Microscopy Techniques","Crystal Growth & Design","2004","4","3","441","","10.1021/cg034243p","","","0.71073","MoKα","","0.0445","0.0354","","","0.0763","0.0781","","","","","","1.078","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505343","7.6261","0.0007","6.1684","0.0006","18.1508","0.0016","90","","99.447","0.002","90","","842.25","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metformin HCl form II","N,N-Dimethylimidodicarbonimidic diamide hydrochloride","","- C4 H12 Cl N5 -","- C4 H12 Cl N5 -","- C16 H48 Cl4 N20 -","4","1","","Childs, Scott L.; Chyall, Leonard J.; Dunlap, Jeanette T.; Coates, David A.; Stahly, Barbara C.; Stahly, G. Patrick","A Metastable Polymorph of Metformin Hydrochloride: Isolation and Characterization Using Capillary Crystallization and Thermal Microscopy Techniques","Crystal Growth & Design","2004","4","3","441","","10.1021/cg034243p","","","0.71073","MoKα","","0.0745","0.0597","","","0.1321","0.139","","","","","","1.173","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505344","16.0707","0.0015","9.014","0.001","16.252","0.002","90","","90.127","0.008","90","","2354.3","0.4","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C22 H16 Cl2 Hg Mn N6 -","- C22 H16 Cl2 Hg Mn N6 -","- C88 H64 Cl8 Hg4 Mn4 N24 -","4","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0197","","","","0.0252","","","","","","1.0768","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505345","15.998","0.005","8.853","0.003","18.797","0.008","90","","107.42","0.03","90","","2540.1","1.6","293","","293","","","","","","","","?","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H16 Cl2 Hg Mn N6 -","- C26 H16 Cl2 Hg Mn N6 -","- C104 H64 Cl8 Hg4 Mn4 N24 -","4","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","1.5418","CuKα","","","0.0635","","","","0.0643","","","","","","1.4414","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505346","22.521","0.015","8.887","0.007","16.147","0.012","90","","135.47","0.04","90","","2266","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl2 Hg N6 Ni -","- C22 H16 Cl2 Hg N6 Ni -","- C88 H64 Cl8 Hg4 N24 Ni4 -","4","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","1.5418","CuKα","","","0.0473","","","","0.0602","","","","","","1.3465","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505347","8.088","0.002","8.742","0.002","17.763","0.006","90","","97.08","0.02","90","","1246.4","0.6","293","","293","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H16 Cl2 Hg N6 Ni -","- C26 H16 Cl2 Hg N6 Ni -","- C52 H32 Cl4 Hg2 N12 Ni2 -","2","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","1.5418","CuKα","","","0.0366","","","","0.0445","","","","","","0.9995","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505348","7.3434","0.0009","9.51","0.001","13.3533","0.0017","85.57","0.01","82.47","0.01","87.594","0.008","921.25","0.19","293","","293","","","","","","","","?","6","P -1","-P 1","2","","","","- C17 H11 Cl2 Cu Hg N5 -","- C17 H11 Cl2 Cu Hg N5 -","- C34 H22 Cl4 Cu2 Hg2 N10 -","2","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0174","","","","0.0222","","","","","","1.319","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505349","10.339","0.002","10.911","0.002","12.723","0.003","69.811","0.017","77.55","0.02","82.228","0.018","1312.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H32 Cl4 Cu2 Hg3 N14 -","- C54 H32 Cl4 Cu2 Hg3 N14 -","- C54 H32 Cl4 Cu2 Hg3 N14 -","1","0.5","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.71073","MoKα","","","0.0306","","","","0.0345","","","","","","1.4479","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4505350","15.7274","0.0018","8.6102","0.0008","19.2642","0.0017","90","","97.735","0.008","90","","2584.9","0.4","293","","293","","","","","","","","?","6","A 1 2/a 1","-A 2ya","15","","","","- C6 H13 Cl2 Cu Hg N5 -","- C6 H13 Cl2 Cu Hg N5 -","- C48 H104 Cl16 Cu8 Hg8 N40 -","8","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.71073","MoKα","","","0.022","","","","0.0269","","","","","","1.2321","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505351","7.837","0.002","17.148","0.002","14.423","0.002","90","","95.67","0.02","90","","1928.8","0.6","293","","293","","","","","","","","?","6","P 1 21/a 1","-P 2yab","14","","","","- C9.02 H18 Cl2.98 Cu Hg2 N7.02 -","- C9.023 H18 Cl2.977 Cu Hg2 N7.023 -","- C36.092 H72 Cl11.908 Cu4 Hg8 N28.092 -","4","1","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0353","","","","0.0329","","","","","","1.4333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505352","22.358","0.003","22.358","","8.1101","0.0013","90","","90","","90","","4054.1","0.8","293","","293","","","","","","","","?","6","P -4 21 c","P -4 2n","114","","","","- C10 H18 Cl2.5 Hg2.25 N8 Ni -","- C40 H72 Cl10 Hg9 N32 Ni4 -","- C80 H144 Cl20 Hg18 N64 Ni8 -","2","0.25","","Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.","Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations","Crystal Growth & Design","2004","4","3","621","","10.1021/cg034248m","","","0.7093","MoKα","","","0.0461","","","","0.0508","","","","","","4.8799","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505353","13.9104","0.0004","17.0365","0.0002","20.815","0.0005","90","","90","","90","","4932.83","0.19","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)ferrate(II)","","- C25 H18 Fe N9 P -","- C25 H18 Fe N9 P -","- C200 H144 Fe8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.112","0.0537","","","0.0737","0.0852","","","","","","0.993","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505354","13.8718","0.0002","16.9489","0.0002","20.772","0.0003","90","","90","","90","","4883.74","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)cobaltate(II)","","- C25 H18 Co N9 P -","- C25 H18 Co N9 P -","- C200 H144 Co8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0658","0.0387","","","0.0609","0.067","","","","","","1.023","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505355","13.8039","0.0003","16.8679","0.0002","20.7639","0.0006","90","","90","","90","","4834.72","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)nickelate(II)","","- C25 H18 N9 Ni P -","- C25 H18 N9 Ni P -","- C200 H144 N72 Ni8 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.1388","0.0639","","","0.0672","0.079","","","","","","0.978","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505356","14.3759","0.0001","16.9055","0.0001","21.6345","0.0002","90","","90","","90","","5257.87","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)mangenate(II)","","- C26 H20 Mn N9 P -","- C26 H20 Mn N9 P -","- C208 H160 Mn8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0409","0.031","","","0.0639","0.0673","","","","","","1.022","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505357","14.2228","0.0002","16.705","0.0001","21.602","0.0003","90","","90","","90","","5132.46","0.11","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)cobaltate(II)","","- C26 H20 Co N9 P -","- C26 H20 Co N9 P -","- C208 H160 Co8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0856","0.06","","","0.0698","0.0738","","","","","","1.087","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505358","14.1192","0.0001","16.6545","0.0001","21.5833","0.0002","90","","90","","90","","5075.27","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)nickelate(II)","","- C26 H20 N9 Ni P -","- C26 H20 N9 Ni P -","- C208 H160 N72 Ni8 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0672","0.0446","","","0.0636","0.0685","","","","","","1.021","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505359","16.6488","0.001","19.0749","0.0011","21.5917","0.0013","90.344","0.002","105.864","0.002","96.447","0.002","6549.3","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","[60]fullerene ZnTPP TPyP clathrate","[60]fullerene zinc tetraphenylporphyrinate tetra(4-pyridyl)porphyrine clathrate","","- C180.25 H77.75 N13.75 Zn2 -","- C180.25 H77.75 N13.75 Zn2 -","- C360.5 H155.5 N27.5 Zn4 -","2","1","","Konarev, Dmitri V.; Litvinov, Alexey L.; Neretin, Ivan S.; Drichko, Natalia V.; Slovokhotov, Yury L.; Lyubovskaya, Rimma N.; Howard, Judith A. K.; Yufit, D. S.","Formation of Coordination Porphyrin Pentamers in New Supramolecular Complex of Fullerene: {(ZnTPP)4·4-TPyP}·(C60)2·(C6H5CN)3.5","Crystal Growth & Design","2004","4","4","643","","10.1021/cg034259f","","","0.71073","MoKα","","0.2379","0.0842","","0.2666","0.1959","","","","0.868","1.251","1.251","","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505360","5.9262","0.0006","22.095","0.002","19.9471","0.0019","90","","91.569","0.002","90","","2610.9","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O4 S -","- C33 H28 O4 S -","- C132 H112 O16 S4 -","4","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Characterization of Pseudopolymorphs of a Hydroxybenzoic Acid Derivative","Crystal Growth & Design","2004","4","6","1403","","10.1021/cg0496890","","","0.71073","MoKα","","0.0934","0.0642","","","0.1339","0.1454","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505361","15.2949","0.0008","16.3926","0.0008","18.4924","0.001","102.875","0.001","101.539","0.001","109.65","0.001","4061.3","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 O4 S -","- C33 H28 O4 S -","- C198 H168 O24 S6 -","6","3","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Characterization of Pseudopolymorphs of a Hydroxybenzoic Acid Derivative","Crystal Growth & Design","2004","4","6","1403","","10.1021/cg0496890","","","0.71073","MoKα","","0.1213","0.0753","","","0.1895","0.2132","","","","","","1.046","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505362","6.4563","0.0003","14.5436","0.0007","16.4454","0.0008","66.106","0.001","85.282","0.001","77.955","0.001","1380.76","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 N O3 -","- C36 H27 N O3 -","- C72 H54 N2 O6 -","2","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Characterization of Pseudopolymorphs of a Hydroxybenzoic Acid Derivative","Crystal Growth & Design","2004","4","6","1403","","10.1021/cg0496890","","","0.71073","MoKα","","0.0769","0.0592","","","0.165","0.1782","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505363","8.753","0.004","8.89","0.004","10.83","0.005","85.44","0.04","69.76","0.03","63.65","0.03","705.8","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C28 H34 N6 S2 -","2","1","","Timofeeva, Tatiana V.; Kinnibrugh, Tiffany; Borbulevych, Oleg Ya.; Averkiev, Boris B.; Nesterov, Vladimir N.; Sloan, Andreanne; Antipin, Mikhail Yu.","Vanishing Polymorphism of (2E)-2-Cyano-3-[4-(Diethylamino)phenyl]prop-2-enethioamide: X-ray Structural Study and Polymorph Prediction","Crystal Growth & Design","2004","4","6","1265","","10.1021/cg0497647","","","0.71073","MoKα","","0.0567","0.0367","","","0.0955","0.1001","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505364","9.167","0.0018","13.023","0.003","12.172","0.002","90","","93.97","0.03","90","","1449.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","","Timofeeva, Tatiana V.; Kinnibrugh, Tiffany; Borbulevych, Oleg Ya.; Averkiev, Boris B.; Nesterov, Vladimir N.; Sloan, Andreanne; Antipin, Mikhail Yu.","Vanishing Polymorphism of (2E)-2-Cyano-3-[4-(Diethylamino)phenyl]prop-2-enethioamide: X-ray Structural Study and Polymorph Prediction","Crystal Growth & Design","2004","4","6","1265","","10.1021/cg0497647","","","0.71073","MoKα","","0.0611","0.0389","","","0.106","0.1196","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505365","39.37","0.008","8.88","0.0018","17.056","0.003","90","","101.19","0.03","90","","5850","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H71 N13 S4 -","- C58 H71 N13 S4 -","- C232 H284 N52 S16 -","4","0.5","","Timofeeva, Tatiana V.; Kinnibrugh, Tiffany; Borbulevych, Oleg Ya.; Averkiev, Boris B.; Nesterov, Vladimir N.; Sloan, Andreanne; Antipin, Mikhail Yu.","Vanishing Polymorphism of (2E)-2-Cyano-3-[4-(Diethylamino)phenyl]prop-2-enethioamide: X-ray Structural Study and Polymorph Prediction","Crystal Growth & Design","2004","4","6","1265","","10.1021/cg0497647","","","0.71073","MoKα","","0.1502","0.0505","","","0.1192","0.1495","","","","","","0.991","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505366","12.684","0.002","12.704","0.004","20.572","0.004","102.71","0.02","103.947","0.015","91.35","0.02","3128.1","1.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C61.5 H57 Cl3 O9 S9 -","- C61.5 H57 Cl3 O9 S9 -","- C123 H114 Cl6 O18 S18 -","2","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.0672","0.0483","","","0.123","0.1353","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505367","14.3192","0.0013","13.4991","0.0012","22.328","0.002","90","","104.081","0.002","90","","4186.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C20.5 H19 Cl O3 S3 -","- C20.5 H19 Cl O3 S3 -","- C164 H152 Cl8 O24 S24 -","8","2","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.1252","0.0559","","","0.1235","0.149","","","","","","0.918","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505368","12.731","0.006","12.762","0.006","25.937","0.012","90","","93.877","0.008","90","","4204","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C41 H38 Cl2 O6 S6 -","- C41 H38 Cl2 O6 S6 -","- C164 H152 Cl8 O24 S24 -","4","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.0966","0.0569","","","0.1289","0.1503","","","","","","1.028","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505369","12.715","0.003","12.723","0.003","13.893","0.003","90","","109.967","0.004","90","","2112.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C20.5 H19 Cl O3 S3 -","- C20.5 H19 Cl O3 S3 -","- C82 H76 Cl4 O12 S12 -","4","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.1127","0.0522","","","0.1036","0.1217","","","","","","0.932","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505370","17.5","0.002","18.465","0.003","14.982","0.002","90","","119.428","0.002","90","","4216.6","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris (5-acetyl-3-thienyl) methane (TATM) /1,3-dichloropropane inclusion compound ?","","- C20.5 H19 Cl O3 S3 -","- C20.5 H19 Cl O3 S3 -","- C164 H152 Cl8 O24 S24 -","8","1","","Sidhu, Paul S.; Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Polymorphism and Structure in a Pentamorphic Guest−Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane","Crystal Growth & Design","2004","4","6","1249","","10.1021/cg049765z","","","0.71073","MoKα","","0.0875","0.0483","","","0.1119","0.1251","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505371","4.6696","0.0004","11.9275","0.001","15.883","0.0014","88.521","0.001","87.475","0.001","80.675","0.001","871.94","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C36 H36 F6 N6 O6 -","2","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0419","0.0379","","","0.1037","0.1069","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505372","9.2526","0.0005","21.0339","0.0011","9.6352","0.0005","90","","101.524","0.001","90","","1837.38","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C72 H72 F12 N12 O12 -","4","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0385","0.0342","","","0.0928","0.0955","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505373","9.4044","0.0005","21.0539","0.0011","9.9067","0.0005","90","","102.969","0.001","90","","1911.48","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C72 H72 F12 N12 O12 -","4","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0875","0.0651","","","0.1976","0.2138","","","","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505374","4.8343","0.0009","11.984","0.002","16.206","0.003","89.447","0.003","88.427","0.003","81.715","0.003","928.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F3 N3 O3 -","- C18 H18 F3 N3 O3 -","- C36 H36 F6 N6 O6 -","2","1","","Coste, Servane; Schneider, Jean-Marie; Petit, Marie-Noëlle; Coquerel, Gérard","Pleconaril Polymorphs: Crystal Structures of Form I and Form III, Evidence of the Enantiotropy, and Assessment of the Structural Purity","Crystal Growth & Design","2004","4","6","1237","","10.1021/cg049766r","","","0.71073","MoKα","","0.0771","0.0586","","","0.1783","0.1912","","","","","","1.059","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505375","10.8118","0.0002","6.3556","0.0001","32.0901","0.0007","90","","99.259","0.002","90","","2176.36","0.07","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 O4 -","- C25 H30 O4 -","- C100 H120 O16 -","4","1","","Kumar, V. S. Senthil; Sheela, K. C.; Nair, Vijay; Rath, Nigam P.","Concomitant Polymorphism in a Spirobicyclic Dione","Crystal Growth & Design","2004","4","6","1245","","10.1021/cg0497748","","","0.71073","MoKα","","0.0774","0.0496","","","0.1137","0.1266","","","","","","1.03","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505376","14.7437","0.0002","9.6022","0.0001","15.4922","0.0002","90","","92.317","0.001","90","","2191.47","0.05","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 O4 -","- C25 H30 O4 -","- C100 H120 O16 -","4","1","","Kumar, V. S. Senthil; Sheela, K. C.; Nair, Vijay; Rath, Nigam P.","Concomitant Polymorphism in a Spirobicyclic Dione","Crystal Growth & Design","2004","4","6","1245","","10.1021/cg0497748","","","0.71073","MoKα","","0.0917","0.0498","","","0.1003","0.1155","","","","","","1.02","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505377","7.237","0.003","8.2557","0.0017","9.78","0.003","90","","111.03","0.02","90","","545.4","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Copperpyroarsenate","Copper(II) diarsenate(V)","","- As2 Cu2 O7 -","- As2 Cu2 O7 -","- As8 Cu8 O28 -","4","0.5","","Weil, Matthias; Lengauer, Christian; Füglein, Ekkehard; Baran, Enrique J.","The Reversible α →β Phase Transition of Cu2As2O7","Crystal Growth & Design","2004","4","6","1229","","10.1021/cg049782o","","","0.71073","MoKα","","0.0287","0.0278","","","0.0749","0.0755","","","","","","1.169","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505378","7.0987","0.0003","8.2777","0.0004","4.8666","0.0002","90","","110.206","0.004","90","","268.37","0.02","673","5","673","5","","","","","","","","3","C 1 2/m 1","-C 2y","12","beta-copper arsenate","beta-copper(II) pyroarsenate","","- As2 Cu2 O7 -","- As2 Cu2 O7 -","- As4 Cu4 O14 -","2","0.25","","Weil, Matthias; Lengauer, Christian; Füglein, Ekkehard; Baran, Enrique J.","The Reversible α →β Phase Transition of Cu2As2O7","Crystal Growth & Design","2004","4","6","1229","","10.1021/cg049782o","powder diffraction","","1.54056","CuKα","","","","","","","","","0.106","","","","","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505379","8.849","0.003","11.27","0.004","14.816","0.005","90.586","0.019","84.037","0.019","70.934","0.018","1387.4","0.8","165","2","165","2","","","","","","","","5","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C32 H21 N3 O4 S -","- C32 H21 N3 O4 S -","- C64 H42 N6 O8 S2 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.1319","0.0878","","","0.2328","0.2568","","","","","","1.05","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505380","8.7066","0.0004","11.2103","0.0005","14.6563","0.0007","89.465","0.002","85.759","0.002","72.136","0.002","1357.68","0.11","165","2","165","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C33 H21 N3 O4 -","- C33 H21 N3 O4 -","- C66 H42 N6 O8 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.0913","0.0592","","","0.1593","0.1718","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505381","8.9408","0.0003","11.3356","0.0004","14.3226","0.0006","89.952","0.002","78.573","0.002","71.502","0.002","1346.3","0.09","143","2","143","2","","","","","","","","5","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C33 H20 Cl N3 O5 -","- C33 H20 Cl N3 O5 -","- C66 H40 Cl2 N6 O10 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.1021","0.0609","","","0.1173","0.1321","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505382","11.397","0.0002","15.4588","0.0003","15.8555","0.0003","73.867","0.001","82.203","0.001","88.405","0.001","2658.52","0.09","143","2","143","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene","1,3,5-tris(4-cyanobenzoyl)benzene","","- C32 H20 N4 O5 -","- C32 H20 N4 O5 -","- C128 H80 N16 O20 -","4","2","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene","Crystal Growth & Design","2004","4","6","1217","","10.1021/cg049792p","","","0.71073","MoKα","","0.1004","0.0595","","","0.1585","0.183","","","","","","1.061","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505383","6.174","0.002","23.497","0.008","12.868","0.004","90","","96.483","0.006","90","","1854.8","1","187","2","187","2","","","","","","","","3","C 1 c 1","C -2yc","9","acridine","acridine","","- C13 H9 N -","- C13 H9 N -","- C104 H72 N8 -","8","2","","Mei, Xuefeng; Wolf, Christian","Formation of New Polymorphs of Acridine Using Dicarboxylic Acids as Crystallization Templates in Solution","Crystal Growth & Design","2004","4","6","1099","","10.1021/cg0498655","","","0.71073","MoKα","","0.1272","0.0403","","","0.0757","0.086","","","","","","0.684","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505384","6.0569","0.001","22.813","0.004","13.204","0.002","90","","95.938","0.004","90","","1814.7","0.5","185","2","185","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","acridine","acridine","","- C13 H9 N -","- C13 H9 N -","- C104 H72 N8 -","8","2","","Mei, Xuefeng; Wolf, Christian","Formation of New Polymorphs of Acridine Using Dicarboxylic Acids as Crystallization Templates in Solution","Crystal Growth & Design","2004","4","6","1099","","10.1021/cg0498655","","","0.71073","MoKα","","0.1094","0.0572","","","0.1325","0.1479","","","","","","1.024","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505385","6.1082","0.0004","19.6249","0.0014","8.9246","0.0006","90","","90.184","0.002","90","","1069.81","0.13","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 N S -","- C5 H5 N S -","- C40 H40 N8 S8 -","8","2","","Muthu, Sebastian; Vittal, Jagadese J.","A New Polymorph of 4-Pyridinethione Containing a Helical Assembly Based on N−H···S Hydrogen Bonds","Crystal Growth & Design","2004","4","6","1181","","10.1021/cg0498812","","","0.71073","MoKα","","0.0464","0.0393","","","0.1021","0.1076","","","","","","1.052","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505386","7.2281","0.0008","6.1499","0.0007","11.6316","0.0013","90","","90.449","0.002","90","","517.03","0.1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N S -","- C5 H5 N S -","- C20 H20 N4 S4 -","4","1","","Muthu, Sebastian; Vittal, Jagadese J.","A New Polymorph of 4-Pyridinethione Containing a Helical Assembly Based on N−H···S Hydrogen Bonds","Crystal Growth & Design","2004","4","6","1181","","10.1021/cg0498812","","","0.71073","MoKα","","0.0753","0.0625","","","0.1441","0.1716","","","","","","1.111","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505387","9.3896","0.0007","6.9093","0.001","19.3766","0.0016","90","","90.951","0.008","90","","1256.9","0.2","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 N6 O4 Zn -","- C8 H12 N6 O4 Zn -","- C32 H48 N24 O16 Zn4 -","4","1","","Escorihuela, Inmaculada; Falvello, Larry R.; Tomás, Milagros; Urriolabeitia, Esteban P.","Influence of Noncovalent Interactions on Uracil Tautomer Selection: Coordination of Both N1 and N3 Uracilate to the Same Metal in the Solid State","Crystal Growth & Design","2004","4","4","655","","10.1021/cg0499111","","","0.71073","MoKα","","0.0684","0.0428","","","0.0904","0.1014","","","","","","1.02","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505388","9.232","0.006","8.9","0.006","15.102","0.009","90","","96.081","0.011","90","","1233.9","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(2-chlorophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 Cl N3 O2 S -","- C11 H10 Cl N3 O2 S -","- C44 H40 Cl4 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1013","0.0574","","","0.1343","0.1553","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505389","9.169","0.002","8.867","0.002","15.222","0.004","90","","96.511","0.005","90","","1229.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(2-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0819","0.0558","","","0.13","0.1451","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505390","12.434","0.004","10.396","0.004","9.113","0.003","90","","92.247","0.006","90","","1177.1","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(3-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0969","0.0596","","","0.1391","0.1563","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505391","9","0.006","8.618","0.006","14.643","0.01","90","","91.698","0.017","90","","1135.2","1.3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-fluorophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 F N3 O2 S -","- C11 H10 F N3 O2 S -","- C44 H40 F4 N12 O8 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1616","0.1082","","","0.255","0.3162","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505392","13.725","0.006","7.312","0.003","25.419","0.011","90","","92.886","0.008","90","","2547.7","1.9","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","6-amino-2-(4-chlorophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 Cl N3 O2 S -","- C11 H10 Cl N3 O2 S -","- C88 H80 Cl8 N24 O16 S8 -","8","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1132","0.07","","","0.1597","0.1802","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505393","10.7951","0.0009","18.2559","0.0015","26.335","0.002","90","","94.33","0.002","90","","5175.1","0.7","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-bromophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 Br N3 O2 S -","- C11 H10 Br N3 O2 S -","- C176 H160 Br16 N48 O32 S16 -","16","4","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1261","0.0656","","","0.1555","0.1848","","","","","","1.036","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505394","10.755","0.002","18.3","0.003","26.828","0.005","90","","90","","90","","5280.2","1.6","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-amino-2-(4-iodophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 I N3 O2 S -","- C11 H10 I N3 O2 S -","- C176 H160 I16 N48 O32 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0713","0.0433","","","0.1","0.1245","","","","","","1.082","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505395","15.015","0.006","10.88","0.005","17.066","0.007","90","","113.457","0.008","90","","2557.6","1.9","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-amino-2-(4-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C96 H104 N24 O16 S8 -","8","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1243","0.0565","","","0.1296","0.1688","","","","","","1.003","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505396","10.834","0.003","17.749","0.004","26.473","0.007","90","","94.531","0.007","90","","5075","2","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-methylphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C192 H208 N48 O32 S16 -","16","4","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1747","0.0737","","","0.1813","0.2601","","","","","","0.899","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505397","10.8897","0.0013","18.343","0.002","26.64","0.003","90","","90","","90","","5321.3","1","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-amino-2-[4-(trifluoromethyl)phenylsulfonylimino]-1,2-dihydropyridine","","- C12 H10 F3 N3 O2 S -","- C12 H10 F3 N3 O2 S -","- C192 H160 F48 N48 O32 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0822","0.0589","","","0.1342","0.1481","","","","","","1.051","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505398","10.614","0.003","18.276","0.005","27.402","0.007","90","","90","","90","","5315","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-amino-2-(4-methoxyphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C192 H208 N48 O48 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1106","0.1024","","","0.2517","0.256","","","","","","1.118","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505399","14.663","0.016","12.276","0.016","7.589","0.011","90","","96.16","0.09","90","","1358","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-amino-2-(4-nitrophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H12 N4 O5 S -","- C11 H12 N4 O5 S -","- C44 H48 N16 O20 S4 -","4","1","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1054","0.0781","","","0.2024","0.2323","","","","","","1.05","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505400","11.4815","0.0005","26.0534","0.0016","7.1885","0.0004","90","","90","","90","","2150.3","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-[(E)-2-(4-aminophenyl)-1-ethenyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Bhogala, Balakrishna R.; Vangala, Venu R.; Smith, Philip S.; Howard, Judith A. K.; Desiraju, Gautam R.","A Novel Saturated Hydrogen Bridge Architecture in Supraminols","Crystal Growth & Design","2004","4","4","647","","10.1021/cg049916y","","","0.71073","MoKα","","0.0809","0.0416","","","0.0838","0.0952","","","","","","0.906","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505401","7.6679","0.0002","26.1975","0.0006","11.1698","0.0002","90","","90","","90","","2243.79","0.09","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(4-aminophenethyl)phenol","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","2","","Bhogala, Balakrishna R.; Vangala, Venu R.; Smith, Philip S.; Howard, Judith A. K.; Desiraju, Gautam R.","A Novel Saturated Hydrogen Bridge Architecture in Supraminols","Crystal Growth & Design","2004","4","4","647","","10.1021/cg049916y","","","0.71073","MoKα","","0.0607","0.0398","","","0.0796","0.0861","","","","","","0.929","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505402","22.407","0.007","6.061","0.002","27.148","0.009","90","","91.107","0.005","90","","3686","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","02095","","","- C22 H23 N2 O2 -","- C22 H23 N2 O2 -","- C176 H184 N16 O16 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0888","0.0651","","","0.1491","0.1571","","","","","","1.177","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4505403","25.263","0.005","5.6455","0.0011","27.459","0.005","90","","99.117","0.004","90","","3866.8","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","02102","","","- C19.5 H20 Cl2 N2 O2 -","- C19.5 H20 Cl2 N2 O2 -","- C156 H160 Cl16 N16 O16 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0851","0.0452","","","0.1003","0.12","","","","","","1.012","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4505404","22.567","0.002","6.0016","0.0006","27.224","0.003","90","","93.444","0.002","90","","3680.5","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","02114a","phenylbutazone dioxane solvate","","- C21 H24 N2 O3 -","- C21 H23 N2 O3 -","- C168 H184 N16 O24 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.068","0.0569","","","0.1558","0.1643","","","","","","1.038","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505405","22.614","0.002","5.9811","0.0006","27.193","0.003","90","","93.819","0.002","90","","3669.9","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Phenylbutazone tetrahydrofuran solvate","","","- C21 H24 N2 O2.5 -","- C21 H24 N2 O2.5 -","- C168 H192 N16 O20 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0816","0.059","","","0.1309","0.1421","","","","","","1.046","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505406","25.653","0.003","5.6091","0.0007","27.551","0.004","90","","98.621","0.002","90","","3919.5","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phenylbutazone cyclohexane solvate","","","- C22 H26 N2 O2 -","- C22.0006 H26.0012 N2 O2 -","- C176.005 H208.01 N16 O16 -","8","1","","Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W.","Isostructurality among Five Solvates of Phenylbutazone","Crystal Growth & Design","2004","4","6","1195","1201","10.1021/cg049923m","","","0.71073","MoKα","","0.0773","0.0567","","","0.1347","0.1463","","","","","","1.014","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505407","31.682","0.009","10.403","0.005","16.961","0.008","90","","112.5","0.03","90","","5165","4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H17.5 Br2 Cl4.5 N2 -","- C24.5 H17.5 Br2 Cl4.5 N2 -","- C196 H140 Br16 Cl36 N16 -","8","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.049","","","","0.062","","","","","","1.45","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505408","10.222","0.007","10.354","0.007","10.498","0.008","102.68","0.02","93.93","0.03","117.32","0.03","944.5","1.2","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Br2 N2 -","- C23 H16 Br2 N2 -","- C46 H32 Br4 N4 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.038","","","","0.049","","","","","","1.69","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505409","23.182","0.007","5.675","0.002","12.504","0.004","90","","92.47","0.02","90","","1643.5","0.9","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","0.5","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.036","","","","0.055","","","","","","1.42","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505410","16.858","0.006","10.669","0.002","16.771","0.006","90","","120.41","0.01","90","","2601.4","1.4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Br2 Cl4 N2 -","- C25 H22 Br2 Cl4 N2 -","- C100 H88 Br8 Cl16 N8 -","4","0.5","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry","Crystal Growth & Design","2004","4","4","837","","10.1021/cg049927r","","","0.71073","MoKα","","","0.056","","","","0.059","","","","","","1.71","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505411","7.496","0.004","9.653","0.006","12.002","0.007","85.74","0.009","86.097","0.009","81.728","0.009","855.6","0.9","90","0.2","90","0.2","","","","","","","see text","3","P -1","-P 1","2","3-acetylcoumarin","3-acetylcoumarin","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","2","","Munshi, Parthapratim; Venugopala, K. N.; Jayashree, B. S.; Guru Row, Tayur N.","Concomitant Polymorphism in 3-Acetylcoumarin: Role of Weak C−H···O and C−H···π Interactions","Crystal Growth & Design","2004","4","6","1105","","10.1021/cg049948l","","","0.71073","MoKα","","0.037","0.0353","","","0.1025","0.1043","","","","","","1.071","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505412","11.325","0.007","3.987","0.002","18.773","0.011","90","","90.425","0.01","90","","847.6","0.8","90","0.2","90","0.2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","3-acetylcoumarin","3-acetylcoumarin","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Munshi, Parthapratim; Venugopala, K. N.; Jayashree, B. S.; Guru Row, Tayur N.","Concomitant Polymorphism in 3-Acetylcoumarin: Role of Weak C−H···O and C−H···π Interactions","Crystal Growth & Design","2004","4","6","1105","","10.1021/cg049948l","","","0.71073","MoKα","","0.0579","0.0449","","","0.1168","0.1248","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505413","13.7982","0.0003","13.0362","0.0002","9.2955","0.0002","90","","90","","90","","1672.04","0.06","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H14 Co N10 O -","- C14 H14 Co N10 O -","- C56 H56 Co4 N40 O4 -","4","0.5","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0413","0.0342","","","0.0937","0.0976","","","","","","1.046","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505414","13.6754","0.0006","13.0449","0.0004","9.2508","0.0004","90","","90","","90","","1650.29","0.11","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H14 N10 Ni O -","- C14 H12 N10 Ni O -","- C56 H48 N40 Ni4 O4 -","4","0.5","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0531","0.0411","","","0.107","0.1127","","","","","","1.104","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505415","14.7318","0.0009","20.7684","0.0013","7.5127","0.0003","90","","90","","90","","2298.6","0.2","123","2","123","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C36 H30 Mn3 N28 -","- C36 H22 Mn3 N28 -","- C72 H44 Mn6 N56 -","2","0.25","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.1423","0.0848","","","0.1442","0.1626","","","","","","1.069","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505416","29.4481","0.0009","12.3608","0.0004","12.3821","0.0003","90","","90","","90","","4507.1","0.2","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 Mn2 N14 O3 -","- C16 H12 Mn2 N14 O3 -","- C128 H96 Mn16 N112 O24 -","8","1","","Kutasi, Anna M.; Harris, Alexander R.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Coordination Polymers of Dicyanamide and Methylpyrazine: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2004","4","3","605","","10.1021/cg049952x","","","0.71073","MoKα","","0.0815","0.0598","","","0.1253","0.131","","","","","","1.262","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505417","9.9541","0.0014","11.5239","0.0016","14.3145","0.0014","82.333","0.005","74.456","0.004","80.836","0.003","1554.6","0.3","90","1","90","1","","","","","","","","4","P 1","P 1","1","","","","- C75 H70 N6 O11 -","- C75 H70 N6 O11 -","- C75 H70 N6 O11 -","1","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.122","0.0532","","","0.0956","0.1149","","","","","","0.839","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505418","10.0723","0.0002","13.735","0.0003","17.3384","0.0004","75.975","0.001","79.797","0.001","68.858","0.001","2159.81","0.08","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 N2 O10 -","- C55 H50 N2 O10 -","- C110 H100 N4 O20 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.0806","0.0574","","","0.1597","0.1732","","","","","","1.053","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505419","13.351","0.005","14.049","0.005","16.71","0.005","99.954","0.013","93.399","0.012","100.875","0.013","3017.9","1.8","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C69 H61 N4 O9 -","- C69 H61 N4 O9 -","- C138 H122 N8 O18 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.2315","0.1163","","","0.2831","0.4017","","","","","","1.015","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505420","13.81","0.006","14.509","0.005","15.157","0.006","89.123","0.011","73.006","0.014","81.958","0.012","2875","2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C69 H62 N8 O9 -","- C69 H62 N8 O9 -","- C138 H124 N16 O18 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1859","0.083","","","0.1835","0.237","","","","","","1.029","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505421","26.4564","0.0018","15.23","0.002","17.4736","0.0016","90","","114.671","0.004","90","","6398","1.1","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H76 N8 O10 -","- C75 H60 N8 O10 -","- C300 H240 N32 O40 -","4","0.5","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1104","0.081","","","0.2347","0.2675","","","","","","1.048","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505422","22.824","0.003","25.799","0.003","36.354","0.005","90","","90","","90","","21407","5","90","1","90","1","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C65 H58 N4 O9 -","- C65 H48 N4 O9 -","- C1040 H768 N64 O144 -","16","0.5","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1709","0.0863","","","0.2177","0.2559","","","","","","0.982","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505423","43.736","0.012","12.632","0.004","28.391","0.005","90","","129.094","0.009","90","","12174","6","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C74 H70 N5 O9 -","- C74 H70 N5 O9 -","- C592 H560 N40 O72 -","8","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.2081","0.1063","","","0.1995","0.2488","","","","","","1.017","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505424","11.7974","0.0018","15.869","0.002","31.374","0.005","104.51","0.007","97.062","0.007","96.513","0.007","5579.2","1.4","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C135 H136 N8 O18 -","- C135 H130 N8 O18 -","- C270 H260 N16 O36 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1943","0.0867","","","0.2148","0.2765","","","","","","0.93","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505425","15.0768","0.0016","15.1379","0.0017","16.7478","0.0014","108.354","0.003","98.491","0.004","91.692","0.003","3576.4","0.6","90","1","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H80 N8 O10 -","- C86 H80 N8 O10 -","- C172 H160 N16 O20 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1725","0.0548","","","0.0985","0.132","","","","","","0.864","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505426","15.8791","0.001","15.9052","0.0012","15.9729","0.0009","99.649","0.003","107.176","0.003","90.599","0.003","3792","0.4","90","1","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C90 H88 N8 O10 -","- C90 H73 N8 O10 -","- C180 H146 N16 O20 -","2","1","","Ma, Bao-Qing; Coppens, Philip","Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks","Crystal Growth & Design","2004","4","6","1377","","10.1021/cg0499562","","","0.71073","MoKα","","0.1576","0.0622","","","0.1298","0.1614","","","","","","0.872","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505427","5.6526","0.0011","5.8755","0.001","8.049","0.002","92.912","0.013","106.965","0.018","116.022","0.019","224.74","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","cαα","3,3,6,6-Tetramethyl-piperazine-2,5-dione","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","1","0.5","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0515","0.0461","","","0.1295","0.1367","","","","","","1.096","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505428","5.921","0.002","8.057","0.003","11.136","0.004","70.92","0.03","87.63","0.03","83.82","0.03","499.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","cαβ","3,3-Dimethyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0512","0.0494","","","0.1508","0.159","","","","","","0.79","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505429","8.5431","0.0014","8.908","0.002","12.0833","0.0018","73.705","0.017","89.232","0.013","67.14","0.02","808.5","0.3","571","2","571","2","","","","","","","","4","P -1","-P 1","2","cββ.DMF","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, N,N'-dimethylformamide solvate","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0712","0.0556","","","0.1522","0.1732","","","","","","1.049","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505430","8.6356","0.0001","8.6643","0.0001","11.5906","0.0001","86.968","0.001","75.51","0.001","63.216","0.001","747.757","0.016","150","2","150","2","","","","","","","","4","P -1","-P 1","2","cββ.EtOH","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, Ethanol solvate","","- C16 H16 N2 O3 -","- C16 H13 N2 O3 -","- C32 H26 N4 O6 -","2","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0524","0.0457","","","0.1209","0.1245","","","","","","1.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505431","10.7217","0.0001","10.8998","0.0001","27.6353","0.0002","90","","90","","90","","3229.58","0.05","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cββ.Py","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, Pyridine Solvate","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C152 H120 N24 O16 -","8","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0433","0.0381","","","0.0945","0.0977","","","","","","1.066","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505432","7.6004","0.0001","15.4465","0.0002","23.9689","0.0001","90","","90","","90","","2813.94","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cu2 N2 O9 -","- C24 H36 Cu2 N2 O9 -","- C96 H144 Cu8 N8 O36 -","4","1","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0898","0.059","","","0.1069","0.1176","","","","","","1.074","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505433","11.0032","0.0004","7.6246","0.0003","16.1711","0.0004","90","","91.969","0.001","90","","1355.87","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H36 Cu2 N2 O9 -","- C24 H36 Cu2 N2 O9 -","- C48 H72 Cu4 N4 O18 -","2","1","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0548","0.04","","","0.069","0.0741","","","","","","1.017","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505434","12.8243","0.0001","18.216","0.0002","14.2213","0.0002","90","","115.595","0.001","90","","2996.19","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.5 H36 Cu2 N2 O7.5 -","- C25.5 H36 Cu2 N2 O7.5 -","- C102 H144 Cu8 N8 O30 -","4","2","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0523","0.0482","","","0.134","0.1383","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505435","12.8761","0.0002","18.0335","0.0003","14.2517","0.0002","90","","115.237","0.001","90","","2993.4","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H84 Cu4 N4 O16 -","- C28 H42 Cu2 N2 O8 -","- C112 H168 Cu8 N8 O32 -","4","2","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0666","0.0497","","","0.1211","0.1307","","","","","","1.034","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505436","11.8182","0.0006","8.2857","0.0004","13.0625","0.0006","90","","116.564","0.001","90","","1144.08","0.1","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H20 Co N6 O8 -","- C22 H20 Co N6 O8 -","- C44 H40 Co2 N12 O16 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.026","0.0253","","","0.074","0.0744","","","","","","1.014","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505437","11.8819","0.0004","8.2462","0.0003","13.0763","0.0005","90","","116.905","0.001","90","","1142.54","0.07","90","2","90","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C44 H40 Cu Mn N12 O16 -","- C44 H40 Cu2 N12 O16 -","- C44 H40 Cu2 N12 O16 -","1","0.25","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0311","0.0292","","","0.0942","0.0959","","","","","","1.061","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505438","11.826","0.0005","8.2955","0.0003","13.0456","0.0005","90","","116.691","0.001","90","","1143.43","0.08","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H20 N6 Ni O8 -","- C22 H20 N6 Ni O8 -","- C44 H40 N12 Ni2 O16 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0253","0.0242","","","0.0717","0.0724","","","","","","1.051","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505439","11.8449","0.0004","8.276","0.0003","13.0727","0.0005","90","","116.7","0.001","90","","1144.85","0.07","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H20 N6 O8 Zn -","- C22 H20 N6 O8 Zn -","- C44 H40 N12 O16 Zn2 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0374","0.0295","","","0.0755","0.0799","","","","","","1.041","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505440","13.0714","0.0007","8.244","0.0003","11.9058","0.0005","90","","117.196","0.001","90","","1141.14","0.09","90","2","90","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Bis(imidazolium 2,6-dicaroboxypyridine) Cu(II)","","- C22 H20 Cu N6 O8 -","- C22 H20 Cu N6 O8 -","- C44 H40 Cu2 N12 O16 -","2","0.5","","MacDonald, John C.; Luo, Tzy-Jiun M.; Palmore, G. Tayhas R.","Supramolecular Behavior of an Isomorphous Series of Five Bis(2-methylimidazolium 2,6-dicarboxypyridine) M(II) Complexes","Crystal Growth & Design","2004","4","6","1203","","10.1021/cg049974j","","","0.71073","MoKα","","0.0256","0.0243","","","0.0755","0.0764","","","","","","1.078","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505441","8.0838","0.0009","8.9765","0.001","9.9412","0.0011","101.214","0.002","105.716","0.002","93.07","0.002","676.83","0.13","298","2","298","2","","","","","","","","3","P -1","-P 1","2","E,E-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene","E,E-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene","","- C30 H34 O8 -","- C30 H34 O8 -","- C30 H34 O8 -","1","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.0693","0.0536","","","0.1328","0.1423","","","","","","1.04","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505442","7.572","0.005","9.033","0.005","11.729","0.005","101.57","0.005","98.29","0.005","91.04","0.005","776.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","246iprOMT","1,4-bis[2-(246-trimethoxyphenyl)ethenyl]-2,5-diisopropoxybenzene","","- C34 H42 O8 -","- C34 H42 O8 -","- C34 H42 O8 -","1","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.1731","0.0606","","","0.1518","0.1822","","","","","","1.039","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505443","8.174","0.002","15.302","0.004","16.32","0.004","90","","115.947","0.018","90","","1835.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","246hexOMT","1,4-bis(2,4,6-trimethoxyphenylethenyl)-2,5-dihexoxybenzene","","- C40 H54 O8 -","- C40 H54 O8 -","- C80 H108 O16 -","2","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.2274","0.0588","","","0.158","0.2057","","","","","","0.994","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505444","6.897","0.002","9.628","0.002","14.066","0.002","88.79","0.02","79.84","0.02","87.72","0.02","918.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","phe246OMT","1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-3,5bis(2-phenylethoxy)benzene","","- C44 H46 O8 -","- C44 H46 O8 -","- C44 H46 O8 -","1","0.5","","Vande Velde, Christophe M. L.; Chen, Li-Juan; Baeke, Jan K.; Moens, Maarten; Dieltiens, Pieter; Geise, Herman J.; Zeller, Matthias; Hunter, Allen D.; Blockhuys, Frank","The Influence of the Side Chain Length on −OCH3−π Interactions Determining the Crystal Packing of Four Substituted 1,4-Bis(α-styryl)benzenes","Crystal Growth & Design","2004","4","4","823","","10.1021/cg0499764","","","0.71073","MoKα","","0.2316","0.0822","","","0.2014","0.2659","","","","","","0.969","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505445","29.53","0.006","29.53","0.006","10.639","0.002","90","","90","","90","","9277","3","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C32 H20 N2 O2 -","- C32 H20 N2 O2 -","- C512 H320 N32 O32 -","16","1","","Klare, Jennifer E.; Tulevski, George S.; Nuckolls, Colin","Chemical reactions with upright monolayers of cruciform pi-systems.","Langmuir : the ACS journal of surfaces and colloids","2004","20","23","10068","10072","10.1021/la0479152","","","0.71073","MoKα","","0.4408","0.1284","","","0.2185","0.3404","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4511620","8.3808","0.0007","10.8134","0.0009","11.15","0.0009","75.083","0.002","88.217","0.002","87.818","0.002","975.47","0.14","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O9 -","- C19 H24 O9 -","- C38 H48 O18 -","2","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.0692","0.0521","","","0.1167","0.1227","","","","","","1.046","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511621","12.428","0.002","18.546","0.003","7.5612","0.0012","90","","115","0.003","90","","1579.5","0.4","223","2","223","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.0983","0.0529","","","0.0774","0.0867","","","","","","1.01","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511622","5.1773","0.0007","15.729","0.002","9.0925","0.0012","90","","101.548","0.003","90","","725.45","0.17","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","","Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil","Synthesis and Solid-State Self-Assembly of Polyphenols","Crystal Growth & Design","2004","4","3","553","","10.1021/cg0341508","","","0.71073","MoKα","","0.1146","0.0596","","","0.1224","0.1751","","","","","","1.06","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511623","24.172","0.008","24.212","0.008","33.226","0.011","91.724","0.006","91.854","0.006","107.513","0.006","18518","11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C251 H140 Cu24 N3 O162 -","- C251 H140 Cu24 N3 O162 -","- C502 H280 Cu48 N6 O324 -","2","1","","McManus, Gregory J.; Wang, Zhenqiang; Zaworotko, Michael J.","Suprasupermolecular Chemistry: Infinite Networks from Nanoscale Metal−Organic Building Blocks†","Crystal Growth & Design","2004","4","1","11","","10.1021/cg034199d","","","0.71073","MoKα","","0.3285","0.166","","","0.3744","0.4806","","","","","","1.009","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511624","30.4712","0.0011","46.5263","0.0017","30.4916","0.0011","90","","98.478","0.001","90","","42756","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C298 H121 Cu17 N25 O137 S12 -","- C596 H242 Cu34 N50 O274 S24 -","- C1192 H484 Cu68 N100 O548 S48 -","2","0.5","","McManus, Gregory J.; Wang, Zhenqiang; Zaworotko, Michael J.","Suprasupermolecular Chemistry: Infinite Networks from Nanoscale Metal−Organic Building Blocks†","Crystal Growth & Design","2004","4","1","11","","10.1021/cg034199d","","","0.71073","MoKα","","0.2117","0.1829","","","0.4509","0.4675","","","","","","1.118","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511625","8.3595","0.0002","11.3634","0.0003","16.3161","0.0005","90","","102.265","0.002","90","","1514.53","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O7 Zn2 -","- C13 H14 N2 O7 Zn2 -","- C52 H56 N8 O28 Zn8 -","4","1","","Shi, Zhan; Li, Guanghua; Wang, Lei; Gao, Lu; Chen, Xiaobo; Hua, Jia; Feng, Shouhua","Two Three-Dimensional Metal−Organic Frameworks from Secondary Building Units of Zn8(OH)4(O2C−)12and Zn2((OH)(O2C−)3: [Zn2(OH)(btc)]2(4,4‘-bipy) and Zn2(OH)(btc)(pipe)","Crystal Growth & Design","2004","4","1","25","","10.1021/cg034084+","","","0.71073","MoKα","","0.028","0.0233","","","0.0589","0.0602","","","","","","1.038","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511626","16.3235","0.0009","16.3235","0.0009","11.6695","0.0009","90","","90","","90","","3109.4","0.3","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C28 H16 N2 O14 Zn4 -","- C28 H8 N2 O14 Zn4 -","- C112 H32 N8 O56 Zn16 -","4","0.25","","Shi, Zhan; Li, Guanghua; Wang, Lei; Gao, Lu; Chen, Xiaobo; Hua, Jia; Feng, Shouhua","Two Three-Dimensional Metal−Organic Frameworks from Secondary Building Units of Zn8(OH)4(O2C−)12and Zn2((OH)(O2C−)3: [Zn2(OH)(btc)]2(4,4‘-bipy) and Zn2(OH)(btc)(pipe)","Crystal Growth & Design","2004","4","1","25","","10.1021/cg034084+","","","0.71073","MoKα","","0.0619","0.0501","","","0.1261","0.1338","","","","","","1.06","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4513415","11.5255","","11.5255","","6.9634","","90","","90","","120","","801.072","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","Nd2 Ba3.259 Sr0.073 Cu0.667 Al2 O10","","- Al2 Ba3.259 Cu0.667 Nd2 O10 Sr0.073 -","- Al2 Ba3.25867 Cu0.666667 Nd2 O10 Sr0.0733333 -","- Al6 Ba9.776 Cu2 Nd6 O30 Sr0.22 -","3","0.25","","Scavini, M.; Mele, P.; Costa, G.A.; Ferretti, M.","Growth and structural characterization of needlelike metastable crystals in the Nd-Ba-Cu-(Al)-O system","Crystal Growth and Design","2004","4","","1259","1263","","","","","","","","","","","","","","","","","","","","","","has coordinates","151586","2020-10-21","18:00:00",""
"7013644","14.3348","0.001","12.7206","0.0009","22.432","0.0016","90","","93.979","0.002","90","","4080.6","0.5","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B Co N4 O6 S4 -","- C36 H48 B Co N4 O6 S4 -","- C144 H192 B4 Co4 N16 O24 S16 -","4","1","","Craig, Peter R.; Brothers, Penelope J.; Clark, George R.; Wilson, William R.; Denny, William A.; Ware, David C.","Anionic carbonato and oxalato cobalt(III) nitrogen mustard complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","4","611","618","10.1039/b311091e","","","0.71073","MoKα","","0.1836","0.0823","","","0.1729","0.22","","","","","","0.977","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013645","26.6696","0.0001","41.0358","0.0002","7.9862","0.0001","90","","90","","90","","8740.16","0.12","203","2","203","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H26 Cl Co N4 O9 -","- C18 H26 Cl Co N4 O9 -","- C288 H416 Cl16 Co16 N64 O144 -","16","1","","Craig, Peter R.; Brothers, Penelope J.; Clark, George R.; Wilson, William R.; Denny, William A.; Ware, David C.","Anionic carbonato and oxalato cobalt(III) nitrogen mustard complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","4","611","618","10.1039/b311091e","","","0.71073","MoKα","","0.0413","0.0404","","","0.1097","0.1109","","","","","","1.065","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013666","29.456","0.003","29.456","0.003","22.728","0.005","90","","90","","120","","17078","4","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C77 H97 N7 O3 P4 S2 -","- C77 H97 N7 O3 P4 S2 -","- C693 H873 N63 O27 P36 S18 -","9","0.5","","Balueva, Anna S.; Kuznetsov, Roman M.; Ignat'eva, Svetlana N.; Karasik, Andrey A.; Gubaidullin, Aidar T.; Litvinov, Igor A.; Sinyashin, Oleg G.; Lönnecke, Peter; Hey-Hawkins, Evamarie","Self-assembly of novel macrocyclic aminomethylphosphines with hydrophobic intramolecular cavities.","Dalton transactions (Cambridge, England : 2003)","2004","","3","442","447","10.1039/b311592e","","","0.71073","MoKα","","0.0855","0.0552","","","0.1583","0.1819","","","","","","1","","","","has coordinates,has disorder","179840","2020-10-21","18:00:00",""
"7013667","9.983","0.001","22.972","0.004","15.777","0.002","90","","96.94","0.01","90","","3591.6","0.9","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 N8 O4 P4 S2 -","- C78 H74 N8 O4 P4 S2 -","- C156 H148 N16 O8 P8 S4 -","2","0.5","","Balueva, Anna S.; Kuznetsov, Roman M.; Ignat'eva, Svetlana N.; Karasik, Andrey A.; Gubaidullin, Aidar T.; Litvinov, Igor A.; Sinyashin, Oleg G.; Lönnecke, Peter; Hey-Hawkins, Evamarie","Self-assembly of novel macrocyclic aminomethylphosphines with hydrophobic intramolecular cavities.","Dalton transactions (Cambridge, England : 2003)","2004","","3","442","447","10.1039/b311592e","","","0.71073","Mo-Kα","","","0.053","","","0.062","","","","","1.688","1.688","","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013668","10.045","0.001","22.78","0.02","15.661","0.003","90","","96.5","0.01","90","","3561","3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H92 N8 O4 P4 -","- C74 H92 N8 O4 P4 -","- C148 H184 N16 O8 P8 -","2","0.5","","Balueva, Anna S.; Kuznetsov, Roman M.; Ignat'eva, Svetlana N.; Karasik, Andrey A.; Gubaidullin, Aidar T.; Litvinov, Igor A.; Sinyashin, Oleg G.; Lönnecke, Peter; Hey-Hawkins, Evamarie","Self-assembly of novel macrocyclic aminomethylphosphines with hydrophobic intramolecular cavities.","Dalton transactions (Cambridge, England : 2003)","2004","","3","442","447","10.1039/b311592e","","","1.54184","Cu-Kα","","","0.083","","","0.089","","","","","1.803","1.803","","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013672","11.2488","0.0004","26.3679","0.0007","27.9714","0.0011","90","","94.361","0.003","90","","8272.5","0.5","153","2","153","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C77.5 H96 Cl5 F12 Fe N6 O6.5 P2 -","- C77.5 H96 Cl5 F12 Fe N6 O6.5 P2 -","- C310 H384 Cl20 F48 Fe4 N24 O26 P8 -","4","2","","Hamann, Christine; Von Zelewsky, Alexander; Neels, Antonia; Stoeckli-Evans, Helen","Diastereoselective synthesis of coordination compounds: a chiral tripodal ligand based on bipyridine units and its ruthenium(II) and iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","3","402","406","10.1039/b311693j","","","0.71073","MoKα","","0.0691","0.0611","","","0.1613","0.169","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013675","8.5724","0.0002","11.0474","0.0002","14.2735","0.0003","74.1676","0.0012","76.1084","0.0009","80.8968","0.0009","1256.19","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Di(tert-butyl)-N,N-dimethylaminoxygallane - Dimer","Di(tert-butyl)-N,N-dimethylaminoxygallane - Dimer","","- C20 H48 Ga2 N2 O2 -","- C20 H48 Ga2 N2 O2 -","- C40 H96 Ga4 N4 O4 -","2","1","","Mitzel, Norbert W.; Lustig, Christian; Woski, Markus","Different modes of aggregation in organoaluminium and -gallium hydroxylamides.","Dalton transactions (Cambridge, England : 2003)","2004","","3","397","401","10.1039/b311781b","","","0.71073","MoKα","","0.0486","0.043","","","0.1088","0.1129","","","","","","1.043","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7013676","8.5972","0.0003","8.9228","0.0003","9.9334","0.0004","71.997","0.002","78.505","0.003","63.939","0.003","649.21","0.04","243","2","243","2","","","","","","","","5","P -1","-P 1","2","N,N-Dimethylaminoxy-di-tert-butyl-aluminium - Dimer","N,N-Dimethylaminoxy-di-tert-butyl-aluminium - Dimer","","- C10 H24 Al N O -","- C10 H24 Al N O -","- C20 H48 Al2 N2 O2 -","2","1","","Mitzel, Norbert W.; Lustig, Christian; Woski, Markus","Different modes of aggregation in organoaluminium and -gallium hydroxylamides.","Dalton transactions (Cambridge, England : 2003)","2004","","3","397","401","10.1039/b311781b","","","0.71073","MoKα","","0.1533","0.1452","","","0.3858","0.4038","","","","","","1.743","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013677","7.9665","0.0004","8.2123","0.0004","9.4581","0.0004","67.051","0.001","85.655","0.001","69.264","0.001","531.5","0.04","153","2","153","2","","","","","","","","5","P -1","-P 1","2","N,N-Diisopropylaminoxy-dimethylaluminium - Dimer","N,N-Diisopropylaminoxy-dimethylaluminium - Dimer","","- C16 H40 Al2 N2 O2 -","- C16 H40 Al2 N2 O2 -","- C16 H40 Al2 N2 O2 -","1","0.5","","Mitzel, Norbert W.; Lustig, Christian; Woski, Markus","Different modes of aggregation in organoaluminium and -gallium hydroxylamides.","Dalton transactions (Cambridge, England : 2003)","2004","","3","397","401","10.1039/b311781b","","","0.71073","MoKα","","0.0387","0.0352","","","0.0953","0.0973","","","","","","1.031","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013678","7.0678","0.0003","8.5926","0.0004","11.6957","0.0004","90","","101.516","0.003","90","","695.99","0.05","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(N,N-Dimethylaminoxy)dimethylgallane - Dimer","(N,N-Dimethylaminoxy)dimethylgallane - Dimer","","- C4 H12 Ga N O -","- C4 H12 Ga N O -","- C16 H48 Ga4 N4 O4 -","4","1","","Mitzel, Norbert W.; Lustig, Christian; Woski, Markus","Different modes of aggregation in organoaluminium and -gallium hydroxylamides.","Dalton transactions (Cambridge, England : 2003)","2004","","3","397","401","10.1039/b311781b","","","0.71073","MoKα","","0.0547","0.046","","","0.1194","0.1252","","","","","","1.106","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013681","9.2305","0.0014","10.3298","0.0016","10.9513","0.0017","103.68","0.003","111.307","0.002","93.487","0.003","932.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H13 B F4 O2 Ru S -","- C19 H13 B F4 O2 Ru S -","- C38 H26 B2 F8 O4 Ru2 S2 -","2","1","","McKinley, Scott G.; Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.","CpRu(CO)2(BF4) and [CpFe(CO)2(THF)]+ on mesoporous silica as adsorbents for the removal of dibenzothiophenes from hydrocarbon solutions.","Dalton transactions (Cambridge, England : 2003)","2004","","5","788","793","10.1039/b311933e","","","0.71073","MoKα","","0.0669","0.0642","","","0.1935","0.1946","","","","","","1.12","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013682","10.745","0.004","10.025","0.003","19.979","0.007","90","","95.117","0.006","90","","2143.5","1.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 B F4 Fe O2 S -","- C21 H17 B F4 Fe O2 S -","- C84 H68 B4 F16 Fe4 O8 S4 -","4","1","","McKinley, Scott G.; Vecchi, Paul A.; Ellern, Arkady; Angelici, Robert J.","CpRu(CO)2(BF4) and [CpFe(CO)2(THF)]+ on mesoporous silica as adsorbents for the removal of dibenzothiophenes from hydrocarbon solutions.","Dalton transactions (Cambridge, England : 2003)","2004","","5","788","793","10.1039/b311933e","","","0.71073","MoKα","","0.0894","0.0788","","","0.2063","0.2155","","","","","","1.057","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013683","11.6379","0.0009","19.473","0.002","16.879","0.001","90","","102.944","0.007","90","","3728","0.5","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 F6 N8 O2 P Ru -","- C39 H29 F6 N8 O2 P Ru -","- C156 H116 F24 N32 O8 P4 Ru4 -","4","1","","O'Brien, Luke; Duati, Marco; Rau, Sven; Guckian, Adrian L.; Keyes, Tia E.; O'Boyle, Noel M; Serr, Andreas; Görls, Helmar; Vos, Johannes G.","Synthesis and characterisation of ruthenium complexes containing a pendent catechol ring.","Dalton transactions (Cambridge, England : 2003)","2004","","4","514","522","10.1039/b311989k","","","0.71073","MoKα","","0.116","0.0537","","","0.1422","0.1556","","","","","","0.997","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7013684","9.1165","0.0009","18.068","0.001","21.424","0.001","90","","96.599","0.006","90","","3505.5","0.4","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 F6 N8 O3 P Ru -","- C35 H31 F6 N8 O3 P Ru -","- C140 H124 F24 N32 O12 P4 Ru4 -","4","1","","O'Brien, Luke; Duati, Marco; Rau, Sven; Guckian, Adrian L.; Keyes, Tia E.; O'Boyle, Noel M; Serr, Andreas; Görls, Helmar; Vos, Johannes G.","Synthesis and characterisation of ruthenium complexes containing a pendent catechol ring.","Dalton transactions (Cambridge, England : 2003)","2004","","4","514","522","10.1039/b311989k","","","0.71073","MoKα","","0.0962","0.0486","","","0.1313","0.143","","","","","","1.019","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7013687","9.582","0.005","19.872","0.005","21.06","0.005","90","0.005","94.04","0.005","90","0.005","4000","3","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","1","","","- C32 H38 Cu F9 Gd N2 O12 -","- C32 H38 Cu F9 Gd N2 O12 -","- C128 H152 Cu4 F36 Gd4 N8 O48 -","4","1","","Novitchi, Ghenadie; Shova, Sergiu; Caneschi, Andrea; Costes, Jean-Pierre; Gdaniec, Maria; Stanica, Nicolae","Hetero di- and trinuclear Cu-Gd complexes with trifluoroacetate bridges: synthesis, structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1194","1200","10.1039/b312186k","","","0.71073","MoKα","","0.1065","0.0638","","","0.1632","0.1853","","","","","","0.914","","","","has coordinates,has disorder","179840","2020-10-21","18:00:00",""
"7013688","18.034","0.004","11.701","0.002","22.351","0.004","90","","96.13","0.03","90","","4689.4","1.6","130","","130","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2","","","- C43 H38 Cu2 Dy F9 N4 O11 -","- C43 H38 Cu2 Dy F9 N4 O11 -","- C172 H152 Cu8 Dy4 F36 N16 O44 -","4","1","","Novitchi, Ghenadie; Shova, Sergiu; Caneschi, Andrea; Costes, Jean-Pierre; Gdaniec, Maria; Stanica, Nicolae","Hetero di- and trinuclear Cu-Gd complexes with trifluoroacetate bridges: synthesis, structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1194","1200","10.1039/b312186k","","","0.71073","MoKα","","0.0396","0.034","","","0.0762","0.0795","","","","","","1.139","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013689","12.528","0.003","25.531","0.005","14.391","0.003","90","","92.48","0.03","90","","4598.7","1.7","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4","","","- C40 H32.34 Cu2 F9 Gd N4 O10.17 -","- C40 H32.34 Cu2 F9 Gd N4 O10.17 -","- C160 H129.36 Cu8 F36 Gd4 N16 O40.68 -","4","1","","Novitchi, Ghenadie; Shova, Sergiu; Caneschi, Andrea; Costes, Jean-Pierre; Gdaniec, Maria; Stanica, Nicolae","Hetero di- and trinuclear Cu-Gd complexes with trifluoroacetate bridges: synthesis, structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1194","1200","10.1039/b312186k","","","0.7107","MoKα","","0.1127","0.0879","","","0.1548","0.1623","","","","","","1.19","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013691","33.01","0.003","8.4218","0.0007","26.36","0.002","90","","90.451","0.004","90","","7327.9","1.1","173.2","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cl1.5 F3 N5 O13.5 P0.5 Ru -","- C30 H22 Cl1.5 F3 N5 O13.5 P0.5 Ru -","- C240 H176 Cl12 F24 N40 O108 P4 Ru8 -","8","1","","Fujihara, Tetsuaki; Wada, Tohru; Tanaka, Koji","Acid-base equilibria of various oxidation states of aqua-ruthenium complexes with 1,10-phenanthroline-5,6-dione in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2004","","4","645","652","10.1039/b312310c","","","0.7107","MoKα","","","0.0812","","","","0.1842","","","","","","1.751","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013692","8.1295","0.0008","17.782","0.002","10.41","0.001","90","","94.916","0.005","90","","1499.3","0.3","173.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H21 Cl2 N5 O12 Ru -","- C27 Cl2 N5 O12 Ru -","- C54 Cl4 N10 O24 Ru2 -","2","1","","Fujihara, Tetsuaki; Wada, Tohru; Tanaka, Koji","Acid-base equilibria of various oxidation states of aqua-ruthenium complexes with 1,10-phenanthroline-5,6-dione in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2004","","4","645","652","10.1039/b312310c","","","0.7107","MoKα","","","0.071","","","","0.1926","","","","","","1.662","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013693","13.6","0.002","14.492","0.002","15.816","0.003","76.71","0.01","85.2","0.01","65.16","0.01","2752.8","0.8","288","2","288","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 La N13 O27 -","- C42 H54 La N13 O27 -","- C84 H108 La2 N26 O54 -","2","1","","Liu, Weisheng; Li, Xiaofeng; Wen, Yonghong; Tan, Minyu","Design and coordination behavior of the first selective recognition ligand of 147Pm(III).","Dalton transactions (Cambridge, England : 2003)","2004","","4","640","644","10.1039/b312381b","","","0.71073","MoKα","","0.0356","0.0263","","","0.0577","0.0592","","","","","","0.965","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7013694","12.184","0.002","12.905","0.002","18.305","0.002","105.26","0.01","91.22","0.01","93.22","0.01","2770.4","0.7","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Gd N13 O27 -","- C42 H54 Gd N13 O27 -","- C84 H108 Gd2 N26 O54 -","2","1","","Liu, Weisheng; Li, Xiaofeng; Wen, Yonghong; Tan, Minyu","Design and coordination behavior of the first selective recognition ligand of 147Pm(III).","Dalton transactions (Cambridge, England : 2003)","2004","","4","640","644","10.1039/b312381b","","","0.71073","MoKα","","0.0342","0.0274","","","0.0644","0.0658","","","","","","1.015","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7013695","12.337","0.002","11.27","0.002","38.712","0.006","90","","94.15","0.01","90","","5368.3","1.5","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 Er N13 O27 -","- C42 H54 Er N13 O27 -","- C168 H216 Er4 N52 O108 -","4","1","","Liu, Weisheng; Li, Xiaofeng; Wen, Yonghong; Tan, Minyu","Design and coordination behavior of the first selective recognition ligand of 147Pm(III).","Dalton transactions (Cambridge, England : 2003)","2004","","4","640","644","10.1039/b312381b","","","0.71073","MoKα","","0.0679","0.0374","","","0.0839","0.092","","","","","","1.016","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7013696","14.1412","0.0007","18.504","0.001","15.1158","0.0008","90","","115.497","0.003","90","","3570.1","0.3","90","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 Ag N4 O -","- C10 H14 Ag N4 O -","- C120 H168 Ag12 N48 O12 -","12","3","","Yamada, Susumu; Ishida, Takayuki; Nogami, Takashi","Supramolecular triangular and linear arrays of metal-radical solids using pyrazolato-silver(I) motifs.","Dalton transactions (Cambridge, England : 2003)","2004","","6","898","903","10.1039/b312406a","","","0.7107","MoKα","","","0.0699","","","","0.1706","","","","","","1.438","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013697","6.9851","0.0004","12.5908","0.0007","22.479","0.002","90","","90","","90","","1977","0.2","90.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Ag N6 O2 -","- C17 H25 Ag N6 O2 -","- C68 H100 Ag4 N24 O8 -","4","1","","Yamada, Susumu; Ishida, Takayuki; Nogami, Takashi","Supramolecular triangular and linear arrays of metal-radical solids using pyrazolato-silver(I) motifs.","Dalton transactions (Cambridge, England : 2003)","2004","","6","898","903","10.1039/b312406a","","","0.7107","MoKα","","","0.0462","","","","0.1275","","","","","","1.676","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013698","10.315","0.005","10.438","0.004","10.646","0.005","90","","108.68","0.011","90","","1085.9","0.8","293","0.2","293","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Ga H2 K O6 Te -","- Ga K0.967 O6 Te -","- Ga8 K7.736 O48 Te8 -","8","1","","Yu, Ranbo; Min Ok, Kang; Shiv Halasyamani, P.","Synthesis and characterization of two novel mixed metal tellurates: KGaTeO5 x H2O and K3GaTe2O8(OH)2 x H2O.","Dalton transactions (Cambridge, England : 2003)","2004","","3","392","396","10.1039/b312519j","","","0.71073","MoKα","","0.0864","0.0593","","","0.1424","0.1522","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013699","7.4369","0.0009","7.4903","0.0009","11.4128","0.0015","84.071","0.002","75.065","0.002","62.227","0.002","543.4","0.12","293","0.2","293","0.2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H4 K3 O11 Te2 -","- Ga K3 O11 Te2 -","- Ga2 K6 O22 Te4 -","2","1","","Yu, Ranbo; Min Ok, Kang; Shiv Halasyamani, P.","Synthesis and characterization of two novel mixed metal tellurates: KGaTeO5 x H2O and K3GaTe2O8(OH)2 x H2O.","Dalton transactions (Cambridge, England : 2003)","2004","","3","392","396","10.1039/b312519j","","","0.71073","MoKα","","0.049","0.0421","","","0.1115","0.1138","","","","","","1.206","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013700","8.51","0.0017","16.75","0.003","17.692","0.004","90","","96.73","0.03","90","","2504.5","0.9","298","2","298","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Co N9 O9 -","- C19 H21 Co N9 O9 -","- C76 H84 Co4 N36 O36 -","4","1","","Atencio, Reinaldo; Chacón, Mirbel; González, Teresa; Briceño, Alexander; Agrifoglio, Giuseppe; Sierraalta, Anibal","Robust hydrogen-bonded self-assemblies from biimidazole complexes. Synthesis and structural characterization of [M(biimidazole)2(OH2)2]2+ (M = Co2+, Ni2+) complexes and carboxylate modules.","Dalton transactions (Cambridge, England : 2003)","2004","","4","505","513","10.1039/b312541f","","","0.71073","MoKα","","0.107","0.0552","","","0.1063","0.1249","","","","","","1.039","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013701","14.483","0.003","7.97","0.0016","22.541","0.005","90","","91.4","0.03","90","","2601.1","0.9","298","2","298","2","","","","","","","Synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Co N8 O10 -","- C20 H28 Co N8 O10 -","- C80 H112 Co4 N32 O40 -","4","0.5","","Atencio, Reinaldo; Chacón, Mirbel; González, Teresa; Briceño, Alexander; Agrifoglio, Giuseppe; Sierraalta, Anibal","Robust hydrogen-bonded self-assemblies from biimidazole complexes. Synthesis and structural characterization of [M(biimidazole)2(OH2)2]2+ (M = Co2+, Ni2+) complexes and carboxylate modules.","Dalton transactions (Cambridge, England : 2003)","2004","","4","505","513","10.1039/b312541f","","","0.71073","MoKα","","0.0434","0.0305","","","0.0701","0.0788","","","","","","1.062","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013702","9.4143","0.0016","10.2573","0.0018","8.695","0.0018","100.789","0.016","107.753","0.015","105.279","0.014","738","0.3","298","2","298","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C24 H32 N10 Ni O10 -","- C24 H32 N10 Ni O10 -","- C24 H32 N10 Ni O10 -","1","0.5","","Atencio, Reinaldo; Chacón, Mirbel; González, Teresa; Briceño, Alexander; Agrifoglio, Giuseppe; Sierraalta, Anibal","Robust hydrogen-bonded self-assemblies from biimidazole complexes. Synthesis and structural characterization of [M(biimidazole)2(OH2)2]2+ (M = Co2+, Ni2+) complexes and carboxylate modules.","Dalton transactions (Cambridge, England : 2003)","2004","","4","505","513","10.1039/b312541f","","","0.71073","MoKα","","0.0769","0.0459","","","0.0862","0.0941","","","","","","1.02","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013703","12.135","0.005","9.265","0.004","13.992","0.004","90","","98.08","0.03","90","","1557.5","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 N8 Ni O16 -","- C26 H34 N8 Ni O16 -","- C52 H68 N16 Ni2 O32 -","2","0.5","","Atencio, Reinaldo; Chacón, Mirbel; González, Teresa; Briceño, Alexander; Agrifoglio, Giuseppe; Sierraalta, Anibal","Robust hydrogen-bonded self-assemblies from biimidazole complexes. Synthesis and structural characterization of [M(biimidazole)2(OH2)2]2+ (M = Co2+, Ni2+) complexes and carboxylate modules.","Dalton transactions (Cambridge, England : 2003)","2004","","4","505","513","10.1039/b312541f","","","0.71073","MoKα","","0.1217","0.0637","","","0.1278","0.153","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013704","8.3931","0.0001","10.8348","0.0001","13.4395","0.0001","72.638","0.001","86.768","0.001","86.597","0.001","1163.46","0.02","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H74 Mn4 N4 O24 -","- C32 H74 Mn4 N4 O24 -","- C32 H74 Mn4 N4 O24 -","1","0.5","","Wittick, Lisa M.; Murray, Keith S.; Moubaraki, Boujemaa; Batten, Stuart R.; Spiccia, Leone; Berry, Kevin J.","Synthesis, structure and magnetism of new single molecule magnets composed of MnII2MnIII2 alkoxo-carboxylate bridged clusters capped by triethanolamine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1003","1011","10.1039/b312672b","","","0.71073","MoKα","","0.0377","0.027","","","0.0654","0.0695","","","","","","1.057","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013705","30.1516","0.0009","8.6367","0.0004","26.52","0.0002","90","","119.46","0.002","90","","6013.1","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H77 Mn4 N5 O20 -","- C54 H77 Mn4 N5 O20 -","- C216 H308 Mn16 N20 O80 -","4","0.5","","Wittick, Lisa M.; Murray, Keith S.; Moubaraki, Boujemaa; Batten, Stuart R.; Spiccia, Leone; Berry, Kevin J.","Synthesis, structure and magnetism of new single molecule magnets composed of MnII2MnIII2 alkoxo-carboxylate bridged clusters capped by triethanolamine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1003","1011","10.1039/b312672b","","","0.71073","MoKα","","0.2956","0.0778","","","0.1193","0.175","","","","","","0.959","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013706","11.222","0.002","14.736","0.003","14.876","0.003","90","","112.16","0.03","90","","2278.3","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H64 Cl2 Mn4 N4 O24 -","- C30 H62 Cl2 Mn4 N4 O24 -","- C60 H124 Cl4 Mn8 N8 O48 -","2","0.5","","Wittick, Lisa M.; Murray, Keith S.; Moubaraki, Boujemaa; Batten, Stuart R.; Spiccia, Leone; Berry, Kevin J.","Synthesis, structure and magnetism of new single molecule magnets composed of MnII2MnIII2 alkoxo-carboxylate bridged clusters capped by triethanolamine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1003","1011","10.1039/b312672b","","","0.71073","MoKα","","0.2247","0.0702","","","0.1203","0.1587","","","","","","0.99","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013707","8.354","0.003","18.862","0.003","12.057","0.004","90","","100.95","0.03","90","","1865.3","1","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ni2L1Br2(H2O)4]Br2.2H2O (L1=1,4,7,16,19,22-hexaza-10,13,25,28-tetraoxacyclotriacontane)","","- C20 H58 Br4 N6 Ni2 O10 -","- C20 H46 Br4 N6 Ni2 O10 -","- C40 H92 Br8 N12 Ni4 O20 -","2","0.5","","Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Duce, Celia; Fornasari, Patrizia; Giorgi, Claudia; Paoletti, Piero; Pardini, Rodolfo; Rosaria Tinè, Maria; Valtancoli, Barbara","Coordination features of ditopic oxa-azamacrocycles toward Ni(II) and Co(II). Dioxygen uptake by their dinuclear Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","3","463","469","10.1039/b312751f","","","1.54178","CuKα","","0.0667","0.0542","","","0.1477","0.1638","","","","","","0.943","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013708","9.724","0.001","12.061","0.002","12.8757","0.0018","90","","103.49","0.01","90","","1468.4","0.4","293","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bromo(2,3-diphenyltetrazole-5-thione)-gold(i)","Bromo(2,3-diphenyltetrazole-5-thione)-gold(I)","","- C13 H10 Au Br N4 S -","- C13 H10 Au Br N4 S -","- C52 H40 Au4 Br4 N16 S4 -","4","1","","Santos, Isabel Garcia; Hagenbach, Adelheid; Abram, Ulrich","Stable gold(III) complexes with thiosemicarbazone derivatives.","Dalton transactions (Cambridge, England : 2003)","2004","","4","677","682","10.1039/b312978k","","","0.71073","MoKα","","0.0446","0.03","","","0.0668","0.0707","","","","","","0.95","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013709","9.967","0.01","10.818","0.006","12.923","0.004","83.14","0.03","74.27","0.03","63.34","0.05","1198.6","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","((2-dimethylammoniummethyl-phenyl) 2-pyridineformamide -N(4) - methylthiosemicarbazonatogold(iii)) dichloride x 3H2O","[(2-dimethylammoniummethyl-phenyl) 2-pyridineformamide -N(4) -methylthiosemicarbazonatogold(III)] dichloride x 3H2O","","- C17 H23 Au Cl2 N6 O3 S -","- C17 H29 Au Cl2 N6 O3 S -","- C34 H58 Au2 Cl4 N12 O6 S2 -","2","1","","Santos, Isabel Garcia; Hagenbach, Adelheid; Abram, Ulrich","Stable gold(III) complexes with thiosemicarbazone derivatives.","Dalton transactions (Cambridge, England : 2003)","2004","","4","677","682","10.1039/b312978k","","","0.71073","MoKα","","0.051","0.0372","","","0.0966","0.1019","","","","","","1.043","","","","has coordinates","188927","2020-10-21","18:00:00",""
"7013710","11.181","0.002","11.348","0.002","11.926","0.002","65.74","0.01","64.32","0.01","63.94","0.01","1178.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(((2-Dimethylammoniummethyl)phenyl)(2-pyridineformamide (N3- dimethyl)thiosemicarbazonatogold(iii))) dichloride x H2O (Au(Hdamp- C)(dmpytsc))Cl2 x H2O","[{(2-Dimethylammoniummethyl)phenyl}{2-pyridineformamide (N3-dimethyl)thiosemicarbazonatogold(III)}] dichloride x H2O [Au(Hdamp-C)(dmpytsc)]Cl2 x H2O","","- C18 H27 Au Cl2 N6 O S -","- C18 H27 Au Cl2 N6 O S -","- C36 H54 Au2 Cl4 N12 O2 S2 -","2","1","","Santos, Isabel Garcia; Hagenbach, Adelheid; Abram, Ulrich","Stable gold(III) complexes with thiosemicarbazone derivatives.","Dalton transactions (Cambridge, England : 2003)","2004","","4","677","682","10.1039/b312978k","","","0.71073","MoKα","","0.0425","0.028","","","0.0716","0.076","","","","","","1.106","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013711","36.752","0.006","12.413","0.002","13.958","0.002","90","","90.7","0.01","90","","6367.2","1.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Chloro(2-pyridineformamide thiosemicarbazonato)gold(iii) chloride","Chloro(2-pyridineformamide thiosemicarbazonato)gold(III) chloride","","- C9 H16 Au Cl2 N5 O2 S -","- C9 H16 Au Cl2 N5 O2 S -","- C144 H256 Au16 Cl32 N80 O32 S16 -","16","2","","Santos, Isabel Garcia; Hagenbach, Adelheid; Abram, Ulrich","Stable gold(III) complexes with thiosemicarbazone derivatives.","Dalton transactions (Cambridge, England : 2003)","2004","","4","677","682","10.1039/b312978k","","","0.71073","MoKα","","0.0287","0.0207","","","0.0474","0.0502","","","","","","0.979","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013712","11.594","0.002","9.266","0.001","17.738","0.003","90","","100.91","0.01","90","","1871.2","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Chloro(2-pyridineformamide(N-3- hexamethylene)thiosemicarbazonato)gold(iii) chloride","Chloro{2-pyridineformamide(N-3-hexamethylene)thiosemicarbazonato}gold(III) chloride","","- C14 H22 Au Cl2 N5 O S -","- C14 H22 Au Cl2 N5 O S -","- C56 H88 Au4 Cl8 N20 O4 S4 -","4","1","","Santos, Isabel Garcia; Hagenbach, Adelheid; Abram, Ulrich","Stable gold(III) complexes with thiosemicarbazone derivatives.","Dalton transactions (Cambridge, England : 2003)","2004","","4","677","682","10.1039/b312978k","","","0.71073","MoKα","","0.0687","0.0588","","","0.1481","0.1545","","","","","","1.015","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013713","14.4256","0.0022","15.3904","0.0023","16.1714","0.0024","90","","90","","90","","3590.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-butylpiperazin-1-yl)-propylamine-nickel(II)-diperchlorate","","- C10 H24 Cl2 N4 Ni O8 -","- C10 H24 Cl2 N4 Ni O8 -","- C80 H192 Cl16 N32 Ni8 O64 -","8","1","","Boiocchi, Massimo; Bonizzoni, Marco; Fabbrizzi, Luigi; Foti, Francesco; Licchelli, Maurizio; Taglietti, Angelo; Zema, Michele","The influence of the boat-to-chair conversion on the demetallation of the nickel(II) complex of an open-chain tetramine containing a piperazine fragment.","Dalton transactions (Cambridge, England : 2003)","2004","","4","653","658","10.1039/b312980b","","","0.71073","MoKα","","0.0797","0.0643","","","0.1721","0.185","","","","","","1.04","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013714","8.1268","0.0004","12.7796","0.0006","14.7831","0.0007","90","","104.361","0.001","90","","1487.36","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-butylpiperazin-1-yl)-propylammonium-perchlorate","","- C10 H25 Cl N4 O4 -","- C10 H25 Cl N4 O4 -","- C40 H100 Cl4 N16 O16 -","4","1","","Boiocchi, Massimo; Bonizzoni, Marco; Fabbrizzi, Luigi; Foti, Francesco; Licchelli, Maurizio; Taglietti, Angelo; Zema, Michele","The influence of the boat-to-chair conversion on the demetallation of the nickel(II) complex of an open-chain tetramine containing a piperazine fragment.","Dalton transactions (Cambridge, England : 2003)","2004","","4","653","658","10.1039/b312980b","","","0.71073","MoKα","","0.0542","0.0437","","","0.1223","0.1314","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013716","13.98","0.01","15.93","0.01","13.23","0.01","94.65","0.04","111.53","0.04","83.36","0.03","2720","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 O13 P3 Re2 U -","- C54 H45 O13 P3 Re2 U -","- C108 H90 O26 P6 Re4 U2 -","2","1","","John, Gordon H.; May, Iain; Sarsfield, Mark J.; Steele, Helen M.; Collison, David; Helliwell, Madeleine; McKinney, James D.","The structural and spectroscopic characterisation of three actinyl complexes with coordinated and uncoordinated perrhenate: [UO2(ReO4)2(TPPO)3], [[(UO2)(TPPO)3]2(mu2-O2)][ReO4]2 and [NpO2(TPPO)4][ReO4].","Dalton transactions (Cambridge, England : 2003)","2004","","5","734","740","10.1039/b313045b","","","0.71069","MoKα","","0.0425","0.0383","","","0.0978","0.1004","","","","","","1.062","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013717","10.624","0.002","16.507","0.003","17.381","0.003","66.424","0.01","85.365","0.01","77.024","0.01","2722.2","0.9","293","2","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 O10 P3 Re U -","- C54 H45 O10 P3 Re U -","- C108 H90 O20 P6 Re2 U2 -","2","1","","John, Gordon H.; May, Iain; Sarsfield, Mark J.; Steele, Helen M.; Collison, David; Helliwell, Madeleine; McKinney, James D.","The structural and spectroscopic characterisation of three actinyl complexes with coordinated and uncoordinated perrhenate: [UO2(ReO4)2(TPPO)3], [[(UO2)(TPPO)3]2(mu2-O2)][ReO4]2 and [NpO2(TPPO)4][ReO4].","Dalton transactions (Cambridge, England : 2003)","2004","","5","734","740","10.1039/b313045b","","","0.7107","MoKα","","0.0588","0.0495","","","0.1413","0.1482","","","","","","1.072","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013718","9.066","0.005","13.361","0.005","13.894","0.005","97.865","0.005","107.949","0.005","91.51","0.005","1581.8","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H60 Np O10 P4 Re -","- C72 H60 Np O10 P4 Re -","- C72 H60 Np O10 P4 Re -","1","0.5","","John, Gordon H.; May, Iain; Sarsfield, Mark J.; Steele, Helen M.; Collison, David; Helliwell, Madeleine; McKinney, James D.","The structural and spectroscopic characterisation of three actinyl complexes with coordinated and uncoordinated perrhenate: [UO2(ReO4)2(TPPO)3], [[(UO2)(TPPO)3]2(mu2-O2)][ReO4]2 and [NpO2(TPPO)4][ReO4].","Dalton transactions (Cambridge, England : 2003)","2004","","5","734","740","10.1039/b313045b","","","0.71073","MoKα","","0.0246","0.0207","","","0.0468","0.0482","","","","","","1.035","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013719","9.175","0.003","9.7409","0.0018","15.8783","0.0017","90","","109.957","0.012","90","","1333.9","0.5","150","","150","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N6 Ru -","- C28 H24 Cl2 N6 Ru -","- C56 H48 Cl4 N12 Ru2 -","2","0.5","","Velders, Aldrik H.; van der Schilden, Karlijn; Hotze, Anna C. G.; Reedijk, Jan; Kooijman, Huub; Spek, Anthony L.","Dichlorobis(2-phenylazopyridine)ruthenium(II) complexes: characterisation, spectroscopic and structural properties of four isomers.","Dalton transactions (Cambridge, England : 2003)","2004","","3","448","455","10.1039/b313182c","","x-ray","0.71073","MoKα","","0.0815","0.0452","","","0.0839","0.0946","","","","","","1.034","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013720","23.719","0.005","9.7912","0.0009","24.073","0.002","90","","99.626","0.007","90","","5511.9","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Co(XyN4S2amp)]Br3.3H2O","","","- C18 H40 Br3 Co N4 O3 S2 -","- C18 H34 Br3 Co N4 O3 S2 -","- C144 H272 Br24 Co8 N32 O24 S16 -","8","2","","Sharrad, Clint A.; Cavigliasso, Germán E; Stranger, Robert; Gahan, Lawrence R.","Embracing ligands. Synthesis, characterisation and the correlation between 59Co NMR and ligand field parameters of Co(III) complexes with a new class of nitrogen-thioether multidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","767","777","10.1039/b313189k","","","0.71073","MoKα","","0.1702","0.0591","","0.2043","0.154","","","","","","","0.968","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013721","10.334","0.001","15.389","0.002","16.216","0.003","90","","99.81","0.01","90","","2541.1","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Co(PrN4S2amp)]Cl(ClO4)2.2H2O","","","- C13 H36 Cl3 Co N4 O10 S2 -","- C13 H32 Cl3 Co N4 O10 S2 -","- C52 H128 Cl12 Co4 N16 O40 S8 -","4","1","","Sharrad, Clint A.; Cavigliasso, Germán E; Stranger, Robert; Gahan, Lawrence R.","Embracing ligands. Synthesis, characterisation and the correlation between 59Co NMR and ligand field parameters of Co(III) complexes with a new class of nitrogen-thioether multidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","767","777","10.1039/b313189k","","","0.71073","MoKα","","0.0702","0.0596","","0.1857","0.1761","","","","","","","1.086","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013722","10.873","0.001","18.484","0.001","13.636","0.002","90","","112.311","0.009","90","","2535.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Co(BuN4S2amp)]Cl2(ClO4).2H2O","","","- C14 H38 Cl3 Co N4 O6 S2 -","- C14 H34 Cl3 Co N4 O6 S2 -","- C56 H136 Cl12 Co4 N16 O24 S8 -","4","1","","Sharrad, Clint A.; Cavigliasso, Germán E; Stranger, Robert; Gahan, Lawrence R.","Embracing ligands. Synthesis, characterisation and the correlation between 59Co NMR and ligand field parameters of Co(III) complexes with a new class of nitrogen-thioether multidentate ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","767","777","10.1039/b313189k","","","0.71073","MoKα","","0.0667","0.0542","","0.1797","0.1667","","","","","","","1.046","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013723","8.0276","0.0004","9.0574","0.0005","25.5753","0.0014","95.093","0.007","96.757","0.006","97.794","0.006","1819.19","0.17","200","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 F12 N12 O P2 Ru -","- C26 H26 F12 N12 O P2 Ru -","- C52 H52 F24 N24 O2 P4 Ru2 -","2","1","","Stupka, Gilles; Gremaud, Ludovic; Bernardinelli, Gérald; Williams, Alan F.","Redox state switching of transition metals by deprotonation of the tridentate ligand 2,6-bis(imidazol-2-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2004","","3","407","412","10.1039/b313440g","","","0.71073","MoKα","","","0.045","","","","0.045","","","","","","1.57","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013724","13.09","0.002","14.326","0.001","19.808","0.001","90","","105.468","0.005","90","","3580","0.6","200","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 F6 Mn N10 O7 S2 -","- C28 H28 F6 Mn N10 O7 S2 -","- C112 H112 F24 Mn4 N40 O28 S8 -","4","1","","Stupka, Gilles; Gremaud, Ludovic; Bernardinelli, Gérald; Williams, Alan F.","Redox state switching of transition metals by deprotonation of the tridentate ligand 2,6-bis(imidazol-2-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2004","","3","407","412","10.1039/b313440g","","","1.54186","CuKα","","","0.059","","","","0.058","","","","","","1.81","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013725","13.0151","0.0009","13.0414","0.0009","19.2351","0.0014","91.622","0.008","105.895","0.008","91.002","0.008","3137.7","0.4","200","","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 F6 Mn N10 O6 S2 -","- C24 H18 F6 Mn N10 O6 S2 -","- C96 H72 F24 Mn4 N40 O24 S8 -","4","2","","Stupka, Gilles; Gremaud, Ludovic; Bernardinelli, Gérald; Williams, Alan F.","Redox state switching of transition metals by deprotonation of the tridentate ligand 2,6-bis(imidazol-2-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2004","","3","407","412","10.1039/b313440g","","","0.71073","MoKα","","","0.037","","","","0.037","","","","","","1.19","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013726","12.6715","0.0007","13.8632","0.0006","21.7372","0.0015","90","","93.896","0.008","90","","3809.7","0.4","200","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H67 Co2 N21 Na2 O4 P2 -","- C81 H58 Co2 N21 Na2 O4 P2 -","- C162 H116 Co4 N42 Na4 O8 P4 -","2","0.5","","Stupka, Gilles; Gremaud, Ludovic; Bernardinelli, Gérald; Williams, Alan F.","Redox state switching of transition metals by deprotonation of the tridentate ligand 2,6-bis(imidazol-2-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2004","","3","407","412","10.1039/b313440g","","","0.71073","MoKα","","","0.049","","","","0.051","","","","","","1.66","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013727","8.9312","0.0014","12.909","0.002","14.848","0.002","66.741","0.003","80.065","0.003","74.491","0.003","1511.1","0.4","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H84 N2 P4 -","- C66 H84 N2 P4 -","- C66 H84 N2 P4 -","1","0.5","","Naumov, Roman N.; Karasik, Andrey A.; Sinyashin, Oleg G.; Lönnecke, Peter; Hey-Hawkins, Evamarie","Unexpected formation of a novel macrocyclic tetraphosphine: (RSSR)-1,9-dibenzyl-3,7,11,15-tetramesityl-1,9-diaza-3,7,11,15-tetraphosphacyclohexadecane.","Dalton transactions (Cambridge, England : 2003)","2004","","3","357","358","10.1039/b313487c","","","0.71073","MoKα","","0.1494","0.0683","","","0.1321","0.1534","","","","","","0.919","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013728","8.3315","0.0004","29.6588","0.0009","8.3626","0.0004","90","","100.23","0.01","90","","2033.57","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cu N5 O9 -","- C16 H23 Cu N5 O9 -","- C64 H92 Cu4 N20 O36 -","4","1","","Kirin, Srecko I.; Happel, Christoph M.; Hrubanova, Silvia; Weyhermuller, Thomas; Klein, Christoph; Metzler-Nolte, Nils","Synthesis, structure and comparison of the DNA cleavage ability of metal complexes M(II)L with the N-(2-ethoxyethanol)-bis(2-picolyl)amine ligand L (M = Co, Ni, Cu and Zn).","Dalton transactions (Cambridge, England : 2003)","2004","","8","1201","1207","10.1039/b313634e","","","0.71073","MoKα","","0.0432","0.0363","","","0.0885","0.0922","","","","","","1.039","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013729","9.0763","0.0003","9.0763","0.0003","20.7667","0.0006","90","","90","","120","","1481.55","0.08","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C16 H21 N5 Ni O8 -","- C16 H21 N5 Ni O8 -","- C48 H63 N15 Ni3 O24 -","3","1","","Kirin, Srecko I.; Happel, Christoph M.; Hrubanova, Silvia; Weyhermuller, Thomas; Klein, Christoph; Metzler-Nolte, Nils","Synthesis, structure and comparison of the DNA cleavage ability of metal complexes M(II)L with the N-(2-ethoxyethanol)-bis(2-picolyl)amine ligand L (M = Co, Ni, Cu and Zn).","Dalton transactions (Cambridge, England : 2003)","2004","","8","1201","1207","10.1039/b313634e","","","0.71073","MoKα","","0.0219","0.0211","","","0.0505","0.051","","","","","","1.032","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013730","15.6361","0.0006","9.8378","0.0003","13.0708","0.0005","90","","90","","90","","2010.61","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H21 Co N5 O8 -","- C16 H21 Co N5 O8 -","- C64 H84 Co4 N20 O32 -","4","1","","Kirin, Srecko I.; Happel, Christoph M.; Hrubanova, Silvia; Weyhermuller, Thomas; Klein, Christoph; Metzler-Nolte, Nils","Synthesis, structure and comparison of the DNA cleavage ability of metal complexes M(II)L with the N-(2-ethoxyethanol)-bis(2-picolyl)amine ligand L (M = Co, Ni, Cu and Zn).","Dalton transactions (Cambridge, England : 2003)","2004","","8","1201","1207","10.1039/b313634e","","","0.71073","MoKα","","0.0331","0.0309","","","0.0768","0.0781","","","","","","1.059","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013731","15.5272","0.0006","9.8286","0.0003","13.1569","0.0006","90","","90","","90","","2007.88","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H21 N5 O8 Zn -","- C16 H21 N5 O8 Zn -","- C64 H84 N20 O32 Zn4 -","4","1","","Kirin, Srecko I.; Happel, Christoph M.; Hrubanova, Silvia; Weyhermuller, Thomas; Klein, Christoph; Metzler-Nolte, Nils","Synthesis, structure and comparison of the DNA cleavage ability of metal complexes M(II)L with the N-(2-ethoxyethanol)-bis(2-picolyl)amine ligand L (M = Co, Ni, Cu and Zn).","Dalton transactions (Cambridge, England : 2003)","2004","","8","1201","1207","10.1039/b313634e","","","0.71073","MoKα","","0.0317","0.0297","","","0.0732","0.0745","","","","","","1.03","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013732","8.217","0.001","13.359","0.001","17.167","0.001","90","","90","","90","","1884.4","0.3","120","2","120","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","4'-mesytyl-terpyridine","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","0.5","","Leslie, Wendy; Batsanov, Andrei S.; Howard, Judith A. K.; Williams, J. A. Gareth","Cross-couplings in the elaboration of luminescent bis-terpyridyl iridium complexes: the effect of extended or inhibited conjugation on emission.","Dalton transactions (Cambridge, England : 2003)","2004","","4","623","631","10.1039/b313638h","","","0.71073","MoKα","","0.0603","0.0457","","","0.1101","0.1193","","","","","","1.078","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013733","12.9264","0.0014","16.5505","0.0017","16.509","0.0018","90","","105.172","0.002","90","","3408.8","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 F6 Mn2 N5 O2 P -","- C31 H32 F6 Mn2 N5 O2 P -","- C124 H128 F24 Mn8 N20 O8 P4 -","4","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bardaji, Manuel; Connelly, Neil G.; Goodwin, Nicholas J.; Llamas-Rey, Estefania; Orpen, A. Guy; Rieger, Philip H.","Bi- and poly-metallic cyanide-bridged complexes of the redox-active cyanomanganese nitrosyl unit [Mn(CN)(PR3)(NO)(eta-C5H4Me)].","Dalton transactions (Cambridge, England : 2003)","2004","","4","683","694","10.1039/b313654j","","","0.71073","MoKα","","0.1691","0.0535","","","0.0853","0.1083","","","","","","0.81","","","","has coordinates,has disorder","179841","2020-10-21","18:00:00",""
"7013734","9.4219","0.0004","14.5958","0.0006","25.8306","0.0011","86.97","0.001","82.885","0.001","76.298","0.001","3423.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H74 F12 Mn5 N12 O5 P2 -","- C52 H74 F12 Mn5 N12 O5 P2 -","- C104 H148 F24 Mn10 N24 O10 P4 -","2","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bardaji, Manuel; Connelly, Neil G.; Goodwin, Nicholas J.; Llamas-Rey, Estefania; Orpen, A. Guy; Rieger, Philip H.","Bi- and poly-metallic cyanide-bridged complexes of the redox-active cyanomanganese nitrosyl unit [Mn(CN)(PR3)(NO)(eta-C5H4Me)].","Dalton transactions (Cambridge, England : 2003)","2004","","4","683","694","10.1039/b313654j","","","0.71073","MoKα","","0.12","0.0681","","","0.1754","0.2013","","","","","","1.045","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013735","26.525","0.002","12.1585","0.001","24.814","0.002","90","","108.69","0.002","90","","7580.6","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 F6 Mn5 N13 O9 P -","- C70 H76 F6 Mn5 N13 O9 P -","- C280 H304 F24 Mn20 N52 O36 P4 -","4","0.5","","Adams, Christopher J.; Anderson, Kirsty M.; Bardaji, Manuel; Connelly, Neil G.; Goodwin, Nicholas J.; Llamas-Rey, Estefania; Orpen, A. Guy; Rieger, Philip H.","Bi- and poly-metallic cyanide-bridged complexes of the redox-active cyanomanganese nitrosyl unit [Mn(CN)(PR3)(NO)(eta-C5H4Me)].","Dalton transactions (Cambridge, England : 2003)","2004","","4","683","694","10.1039/b313654j","","","0.71073","MoKα","","0.095","0.0577","","","0.1364","0.1558","","","","","","1.019","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013736","15.268","0.006","16.101","0.007","17.677","0.009","65.32","0.02","87.48","0.05","67.7","0.03","3619","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H64 F12 Mn5 N12 O5 P2 -","- C64 H64 F12 Mn5 N12 O5 P2 -","- C128 H128 F24 Mn10 N24 O10 P4 -","2","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bardaji, Manuel; Connelly, Neil G.; Goodwin, Nicholas J.; Llamas-Rey, Estefania; Orpen, A. Guy; Rieger, Philip H.","Bi- and poly-metallic cyanide-bridged complexes of the redox-active cyanomanganese nitrosyl unit [Mn(CN)(PR3)(NO)(eta-C5H4Me)].","Dalton transactions (Cambridge, England : 2003)","2004","","4","683","694","10.1039/b313654j","","","0.71073","MoKα","","0.3093","0.1118","","","0.2786","0.3692","","","","","","0.944","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013737","12.7005","0.0004","15.5585","0.0005","20.1853","0.0006","90","","90","","90","","3988.6","0.2","218","2","218","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 B N6 Tl -","- C48 H40 B N6 Tl -","- C192 H160 B4 N24 Tl4 -","4","1","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0319","0.0275","","0.0886","0.0656","","","","0.836","0.848","0.848","","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013738","8.8802","0.0003","9.6596","0.0003","26.4251","0.0011","88.686","0.002","81.024","0.003","74.429","0.002","2156.36","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H44 B Cl Co N6 -","- C51.5 H40 B Cl Co N6 -","- C103 H80 B2 Cl2 Co2 N12 -","2","1","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0855","0.0535","","","0.1333","0.1429","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013739","12.7304","0.0008","19.7914","0.0012","17.7854","0.001","90","","92.408","0.001","90","","4477.1","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H47 B Co N6 O2 -","- C53 H47 B Co N6 O2 -","- C212 H188 B4 Co4 N24 O8 -","4","1","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0704","0.049","","","0.1488","0.1657","","","","","","1.141","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013740","21.3406","0.0012","19.9743","0.0012","26.1887","0.0015","90","","90","","90","","11163.3","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C66 H56 B2 Co N10 -","- C66 H56 B2 Co N10 -","- C528 H448 B16 Co8 N80 -","8","1","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0743","0.0412","","","0.1131","0.1345","","","","","","1.01","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013741","15.374","0.003","19.218","0.003","19.69","0.003","80.817","0.003","69.799","0.003","81.469","0.003","5362.4","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H56 B2 Co N10 -","- C66 H56 B2 Co N10 -","- C264 H224 B8 Co4 N40 -","4","2","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0888","0.0748","","","0.1768","0.1858","","","","","","1.061","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013742","13.6043","0.0014","21.828","0.002","16.7262","0.0018","90","","99.11","0.002","90","","4904.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H50 B2 Co N12 -","- C57 H50 B2 Co N12 -","- C228 H200 B8 Co4 N48 -","4","1","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0633","0.042","","","0.1232","0.1406","","","","","","1.003","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013743","17.502","0.005","16.341","0.007","18.6","0.012","90","","101.45","0.04","90","","5214","4","245","2","245","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H100 B2 Cl8 N12 Ni2 O10 -","- C102 H92 B2 Cl8 N12 Ni2 O6 -","- C204 H184 B4 Cl16 N24 Ni4 O12 -","2","0.5","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.1098","0.0653","","","0.1618","0.1936","","","","","","1","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013744","11.9467","0.0011","22.166","0.002","17.4179","0.0017","90","","101.236","0.002","90","","4524","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 B Co N8 O S -","- C52 H47 B Co N8 O S -","- C208 H188 B4 Co4 N32 O4 S4 -","4","1","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0617","0.0406","","","0.1168","0.1395","","","","","","1.001","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013745","12.1721","0.0008","20.9729","0.0014","21.7412","0.0015","90","","102.506","0.002","90","","5418.5","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H61 B N10 Ni O3 S -","- C58 H61 B N10 Ni O3 S -","- C232 H244 B4 N40 Ni4 O12 S4 -","4","1","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0793","0.0436","","","0.107","0.121","","","","","","1.015","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013747","10.7142","0.0005","10.8502","0.0004","13.7197","0.0006","98.32","0.003","110.262","0.002","96.681","0.003","1456.49","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 Ce N -","- C32 H44 Ce N -","- C64 H88 Ce2 N2 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0274","0.0236","","","0.0571","0.0587","","","","","","1.05","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013748","10.6759","0.0009","10.8331","0.0009","13.6419","0.0008","98.333","0.004","110.235","0.004","96.726","0.003","1440.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N U -","- C32 H44 N U -","- C64 H88 N2 U2 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0681","0.0425","","","0.0756","0.0845","","","","","","0.876","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013749","11.1698","0.0011","11.2011","0.0011","13.7417","0.0009","98.786","0.006","109.589","0.005","96.9","0.003","1573.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H44 Ce N Si3 -","- C29 H35 Ce N Si3 -","- C58 H70 Ce2 N2 Si6 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0575","0.0426","","","0.0975","0.1038","","","","","","1.013","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013750","11.1739","0.0014","11.1737","0.0015","13.7093","0.0016","98.747","0.006","109.359","0.008","97.321","0.006","1566.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H44 N Si3 U -","- C29 H35 N Si3 U -","- C58 H70 N2 Si6 U2 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0738","0.0521","","","0.1173","0.1285","","","","","","0.994","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013751","11.0203","0.0009","8.5826","0.0008","31.085","0.002","90","","92.788","0.005","90","","2936.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 Ce N -","- C33 H46 Ce N -","- C132 H184 Ce4 N4 -","4","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.072","0.0404","","","0.0795","0.0917","","","","","","1.01","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013752","10.8282","0.0013","10.8431","0.0012","14.0262","0.0011","109.09","0.007","98.889","0.008","98.832","0.005","1500.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H46 N U -","- C33 H46 N U -","- C66 H92 N2 U2 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0566","0.0434","","","0.1045","0.1113","","","","","","1.044","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013753","14.0043","0.0006","14.8904","0.0008","17.0833","0.0009","91.825","0.002","95.51","0.003","112.849","0.003","3258.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 Ce N Si3 -","- C30 H46 Ce N Si3 -","- C120 H184 Ce4 N4 Si12 -","4","2","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0544","0.0364","","","0.0819","0.0892","","","","","","0.99","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013754","10.4967","0.0003","20.201","0.0008","15.8279","0.0005","90","","98.302","0.002","90","","3321.04","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Ce N Si3 -","- C31 H48 Ce N Si3 -","- C124 H192 Ce4 N4 Si12 -","4","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0338","0.0249","","","0.0528","0.0556","","","","","","1.021","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013755","8.8808","0.0005","11.2881","0.0007","17.2643","0.0012","71.573","0.003","81.505","0.003","89.047","0.004","1623.11","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 N Si3 U -","- C31 H48 N Si3 U -","- C62 H96 N2 Si6 U2 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0408","0.0307","","","0.0643","0.0676","","","","","","0.98","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013756","9.5985","0.0003","26.9296","0.0008","11.8362","0.0004","90","","113.803","0.002","90","","2799.22","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 Ce N2 -","- C31 H43 Ce N2 -","- C124 H172 Ce4 N8 -","4","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0462","0.0292","","","0.0582","0.0638","","","","","","1.014","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013757","11.0533","0.0004","8.6607","0.0004","33.8212","0.0013","90","","95.866","0.002","90","","3220.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Ce N4 -","- C35 H47 Ce N4 -","- C140 H188 Ce4 N16 -","4","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0486","0.0352","","","0.0763","0.0829","","","","","","1.013","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013758","15.6932","0.0008","17.8896","0.0006","22.504","0.0012","90","","90","","90","","6317.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H43 Ce N2 Si3 -","- C28 H30 Ce N2 Si3 -","- C224 H240 Ce8 N16 Si24 -","8","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0788","0.0418","","","0.0871","0.1005","","","","","","1.014","","","","has coordinates,has disorder","179841","2020-10-21","18:00:00",""
"7013759","11.4253","0.001","17.4702","0.0018","15.5095","0.0015","90","","90.699","0.006","90","","3095.5","0.5","100","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 N2 Si3 U -","- C28 H43 N2 Si3 U -","- C112 H172 N8 Si12 U4 -","4","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.1099","0.0504","","","0.0787","0.0934","","","","","","0.996","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013760","10.9926","0.0004","8.4351","0.0002","30.1082","0.0013","90","","96.049","0.002","90","","2776.2","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 Ce N2 -","- C31 H43 Ce N2 -","- C124 H172 Ce4 N8 -","4","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0426","0.0277","","","0.0564","0.0617","","","","","","1.012","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013761","19.9794","0.001","20.331","0.0011","15.4327","0.0006","90","","102.978","0.003","90","","6108.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Ce N2 -","- C33 H47 Ce N2 -","- C264 H376 Ce8 N16 -","8","2","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.1248","0.052","","","0.0866","0.107","","","","","","0.967","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013762","11.3785","0.0013","8.9945","0.0009","32.191","0.005","90","","93.433","0.007","90","","3288.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H47 Ce N2 Si3 -","- C30 H47 Ce N2 Si3 -","- C120 H188 Ce4 N8 Si12 -","4","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.2243","0.0991","","","0.2132","0.2643","","","","","","1.385","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013763","8.8397","0.0009","11.2849","0.0008","17.2078","0.0015","71.846","0.006","80.696","0.005","89.117","0.006","1608.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H47 N2 Si3 U -","- C30 H47 N2 Si3 U -","- C60 H94 N4 Si6 U2 -","2","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0505","0.0414","","","0.0986","0.1032","","","","","","1.011","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013764","10.4403","0.0001","15.9672","0.0001","18.5576","0.0003","90","","95.29","0.001","90","","3080.42","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H42 O2 Si2 Yb -","- C30 H42 O2 Si2 Yb -","- C120 H168 O8 Si8 Yb4 -","4","2","","Zhang, Kehua; Zhang, Wu; Wang, Shaowu; Sheng, Enhong; Yang, Gaosheng; Xie, Meihua; Zhou, Shuangliu; Feng, Yan; Mao, Lili; Huang, Zixiang","Homolysis of the Ln-N (Ln = Yb, Eu) bond. Synthesis, structural characterization and catalytic activity of ytterbium(II) and europium(II) complexes with methoxyethyl functionalized indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1029","1037","10.1039/b314115b","","","0.71073","MoKα","","0.0516","0.0417","","","0.0818","0.0877","","","","","","1.058","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013765","31.1608","0.0003","34.5218","0.0007","14.8525","0.0001","90","","90","","90","","15977.2","0.4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H56 Eu N2 O2 Si2 -","- C36 H56 Eu N2 O2 Si2 -","- C576 H896 Eu16 N32 O32 Si32 -","16","1","","Zhang, Kehua; Zhang, Wu; Wang, Shaowu; Sheng, Enhong; Yang, Gaosheng; Xie, Meihua; Zhou, Shuangliu; Feng, Yan; Mao, Lili; Huang, Zixiang","Homolysis of the Ln-N (Ln = Yb, Eu) bond. Synthesis, structural characterization and catalytic activity of ytterbium(II) and europium(II) complexes with methoxyethyl functionalized indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1029","1037","10.1039/b314115b","","","0.71073","MoKα","","0.0398","0.0324","","","0.0682","0.0731","","","","","","1.175","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013766","10.5365","0.0003","16.2922","0.0005","18.6379","0.0006","90","","95.445","0.001","90","","3185","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H42 Eu O2 Si2 -","- C30 H42 Eu O2 Si2 -","- C120 H168 Eu4 O8 Si8 -","4","2","","Zhang, Kehua; Zhang, Wu; Wang, Shaowu; Sheng, Enhong; Yang, Gaosheng; Xie, Meihua; Zhou, Shuangliu; Feng, Yan; Mao, Lili; Huang, Zixiang","Homolysis of the Ln-N (Ln = Yb, Eu) bond. Synthesis, structural characterization and catalytic activity of ytterbium(II) and europium(II) complexes with methoxyethyl functionalized indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1029","1037","10.1039/b314115b","","","0.71073","MoKα","","0.048","0.0397","","","0.0786","0.085","","","","","","1.133","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013767","13.4293","0.0008","9.3858","0.0004","15.2459","0.0007","90","","98.051","0.002","90","","1902.72","0.16","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 B2 Fe2 N12 -","- C38 H34 B2 Fe2 N12 -","- C76 H68 B4 Fe4 N24 -","2","0.5","","Nakano, Keisaku; Suemura, Naohiko; Kawata, Satoshi; Fuyuhiro, Akira; Yagi, Takashi; Nasu, Saburo; Morimoto, Syotaro; Kaizaki, Sumio","Magnetic behavior and Mössbauer spectra of spin-crossover pyrazolate bridged dinuclear diiron(II) complexes: X-ray structures of high-spin and low-spin [{Fe(NCBH~3~)(py)}~2~(μ-bpypz)~2~]","Dalton Transactions","2004","","7","982","988","10.1039/b314211f","","","0.7107","MoKα","","","0.039","","","","0.106","","","","","","0.841","","","","has coordinates","275162","2022-05-06","23:58:41",""
"7013768","13.36","0.002","9.1198","0.0007","14.817","0.001","90","","98.804","0.004","90","","1784","0.3","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 B2 Fe2 N12 -","- C38 H34 B2 Fe2 N12 -","- C76 H68 B4 Fe4 N24 -","2","0.5","","Nakano, Keisaku; Suemura, Naohiko; Kawata, Satoshi; Fuyuhiro, Akira; Yagi, Takashi; Nasu, Saburo; Morimoto, Syotaro; Kaizaki, Sumio","Magnetic behavior and Mössbauer spectra of spin-crossover pyrazolate bridged dinuclear diiron(II) complexes: X-ray structures of high-spin and low-spin [{Fe(NCBH~3~)(py)}~2~(μ-bpypz)~2~]","Dalton Transactions","2004","","7","982","988","10.1039/b314211f","","","0.7107","MoKα","","","0.047","","","","0.128","","","","","","0.956","","","","has coordinates","275162","2022-05-06","23:58:41",""
"7013769","10.973","0.001","20.054","0.001","22.59","0.001","90","0.01","90","0.01","90","0.01","4971","0.6","175","2","175","2","","","","","","","","9","P b c m","-P 2c 2b","57","Chloro(2-methoxy-N-methylquinolin-4- yl)bis(triphenylphosphine) palladium(ii)","Chloro(2-methoxy-N-methylquinolin-4-yl)bis(triphenylphosphine) palladium(II)","","- C49 H45 B Cl5 F4 N O P2 Pd -","- C49 H45 B Cl5 F4 N O P2 Pd -","- C196 H180 B4 Cl20 F16 N4 O4 P8 Pd4 -","4","0.5","","Meyer, Wolfgang H.; Deetlefs, Maggel; Pohlmann, Michael; Scholz, Roland; Esterhuysen, Matthias W.; Julius, Gerrit R.; Raubenheimer, Helgard G.","Preparation and characterisation of palladium, platinum and manganese di(organo)carbene complexes from quinolinone and quinolinium precursors.","Dalton transactions (Cambridge, England : 2003)","2004","","3","413","420","10.1039/b314217p","","","0.71073","MoKα","","0.0423","0.0332","","","0.0916","0.097","","","","","","1.083","","","","has coordinates,has disorder","179841","2020-10-21","18:00:00",""
"7013770","14.047","0.005","9.928","0.004","19.079","0.007","90","","95.827","0.007","90","","2647","1.7","153","1","153","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 B F4 Mo O3 Si3 -","- C19 H31 B F4 Mo O3 Si3 -","- C76 H124 B4 F16 Mo4 O12 Si12 -","4","1","","Tamm, Matthias; Bannenberg, Thomas; Fröhlich, Roland; Grimme, Stefan; Gerenkamp, Mareike","Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","3","482","491","10.1039/b314347c","","","0.71073","MoKα","","0.0598","0.0351","","","0.0697","0.0744","","","","","","0.882","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013771","14.4701","0.0001","15.4805","0.0001","16.2136","0.0001","109.688","0.001","108.658","0.001","97.941","0.001","3114.32","0.05","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H45 B Cl2 F4 Mo -","- C29 H45 B Cl2 F4 Mo -","- C116 H180 B4 Cl8 F16 Mo4 -","4","2","","Tamm, Matthias; Bannenberg, Thomas; Fröhlich, Roland; Grimme, Stefan; Gerenkamp, Mareike","Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","3","482","491","10.1039/b314347c","","","0.71073","MoKα","","0.0674","0.0443","","","0.0863","0.0952","","","","","","1.025","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013772","16.707","0.001","15.551","0.001","14.453","0.001","90","","91.74","0.01","90","","3753.3","0.4","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H55 B2 F8 Mo O2 -","- C34 H55 B2 F8 Mo O2 -","- C136 H220 B8 F32 Mo4 O8 -","4","1","","Tamm, Matthias; Bannenberg, Thomas; Fröhlich, Roland; Grimme, Stefan; Gerenkamp, Mareike","Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","3","482","491","10.1039/b314347c","","","0.71073","MoKα","","0.0645","0.0437","","","0.0969","0.1056","","","","","","1.033","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013773","10.313","0.001","17.431","0.001","12.472","0.001","90","","92.09","0.01","90","","2240.5","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H64 Cl2 Mo2 O6 -","- C45 H64 Cl2 Mo2 O6 -","- C90 H128 Cl4 Mo4 O12 -","2","1","","Tamm, Matthias; Bannenberg, Thomas; Fröhlich, Roland; Grimme, Stefan; Gerenkamp, Mareike","Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","3","482","491","10.1039/b314347c","","","0.71073","MoKα","","0.0878","0.0639","","","0.1346","0.148","","","","","","1.021","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013774","11.954","0.001","12.776","0.001","15.913","0.001","113.58","0.01","90.72","0.01","107.98","0.01","2092.6","0.4","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H69 Cl3 Mo2 -","- C41 H69 Cl3 Mo2 -","- C82 H138 Cl6 Mo4 -","2","1","","Tamm, Matthias; Bannenberg, Thomas; Fröhlich, Roland; Grimme, Stefan; Gerenkamp, Mareike","Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","3","482","491","10.1039/b314347c","","","0.71073","MoKα","","0.0545","0.0377","","","0.0803","0.088","","","","","","1.014","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013775","10.434","0.001","11.383","0.001","11.741","0.001","96.29","0.01","99.85","0.01","117.96","0.01","1184.4","0.2","198","2","198","2","","","","","","","","7","P 1","P 1","1","","","","- C42 H72 Cl3 F6 Mo2 O P -","- C42 H72 Cl3 F6 Mo2 O P -","- C42 H72 Cl3 F6 Mo2 O P -","1","1","","Tamm, Matthias; Bannenberg, Thomas; Fröhlich, Roland; Grimme, Stefan; Gerenkamp, Mareike","Mono- and dinuclear molybdenum complexes with sterically demanding cycloheptatrienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","3","482","491","10.1039/b314347c","","","0.71073","MoKα","","0.0516","0.0439","","","0.1059","0.1111","","","","","","1.005","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013776","10.887","0.0009","12.584","0.002","13.184","0.0015","90","","90","","90","","1806.2","0.4","122","1","122","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H26 Cl Mn N4 O9 S -","- C10 H26 Cl Mn N4 O9 S -","- C40 H104 Cl4 Mn4 N16 O36 S4 -","4","1","","Mossin, Susanne; Weihe, Høgni; Sørensen, Henning Osholm; Lima, Nicola; Sessoli, Roberta","Rationalisation of weak ferromagnetism in manganese(III) chains: the relation between structure and ordering phenomena.","Dalton transactions (Cambridge, England : 2003)","2004","","4","632","639","10.1039/b314355d","","","0.71073","MoKα","","0.0366","0.0314","","","0.0823","0.0848","","","","","","1.026","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013777","10.169","0.002","12.744","0.003","16.181","0.003","90","","90","","90","","2097","0.8","122","1","122","1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C12 H25 Cl F3 Mn N4 O9 S -","- C12 H25 Cl F3 Mn N4 O9 S -","- C48 H100 Cl4 F12 Mn4 N16 O36 S4 -","4","0.5","","Mossin, Susanne; Weihe, Høgni; Sørensen, Henning Osholm; Lima, Nicola; Sessoli, Roberta","Rationalisation of weak ferromagnetism in manganese(III) chains: the relation between structure and ordering phenomena.","Dalton transactions (Cambridge, England : 2003)","2004","","4","632","639","10.1039/b314355d","","","0.71073","MoKα","","0.0393","0.0276","","","0.0679","0.0726","","","","","","1.063","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013778","41.592","0.008","8.717","0.0017","13.483","0.003","90","","103.23","0.03","90","","4758.6","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H76 Ag N5 O3 -","- C46 H76 Ag N5 O3 -","- C184 H304 Ag4 N20 O12 -","4","0.5","","Lee, Ching K.; Hsu, Kuang-Mei; Tsai, Chun-Hsien; Lai, Chung K.; Lin, Ivan J. B.","Liquid crystals of silver complexes derived from simple 1-alkylimidazoles.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1120","1126","10.1039/b314367h","","","0.71073","MoKα","","0.1128","0.0605","","","0.1239","0.1449","","","","","","1.036","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013779","6.575","0.001","9.501","0.001","19.33","0.001","82.24","0.01","87.99","0.01","89.32","0.01","1195.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H76 Ag B F4 N4 -","- C46 H76 Ag B0.8 F4 N4 -","- C46 H76 Ag B0.8 F4 N4 -","1","0.5","","Lee, Ching K.; Hsu, Kuang-Mei; Tsai, Chun-Hsien; Lai, Chung K.; Lin, Ivan J. B.","Liquid crystals of silver complexes derived from simple 1-alkylimidazoles.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1120","1126","10.1039/b314367h","","","0.71073","MoKα","","0.0829","0.0489","","","0.1058","0.1188","","","","","","1.046","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013780","5.9813","0.0009","15.392","0.002","19.218","0.003","81.747","0.003","81.902","0.003","83.315","0.003","1725.1","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H56 Ag N5 O3 -","- C30 H56 Ag N5 O3 -","- C60 H112 Ag2 N10 O6 -","2","1","","Lee, Ching K.; Hsu, Kuang-Mei; Tsai, Chun-Hsien; Lai, Chung K.; Lin, Ivan J. B.","Liquid crystals of silver complexes derived from simple 1-alkylimidazoles.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1120","1126","10.1039/b314367h","","","0.71073","MoKα","","0.1439","0.047","","","0.0876","0.1208","","","","","","0.92","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013781","10.696","0.002","13.138","0.003","17.222","0.003","77.15","0.03","80.4","0.03","82.02","0.03","2313.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H63 Cl2 Fe P3 Ru -","- C52.5 H63 Cl2 Fe P3 Ru -","- C105 H126 Cl4 Fe2 P6 Ru2 -","2","1","","Jung, Stefan; Brandt, Carsten D.; Wolf, Justin; Werner, Helmut","Vinyl and carbene ruthenium(II) complexes from hydridoruthenium(II) precursors.","Dalton transactions (Cambridge, England : 2003)","2004","","3","375","383","10.1039/b314425a","","","0.71073","MoKα","","0.0787","0.0411","","","0.078","0.0844","","","","","","0.817","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013782","8.4966","0.0004","22.3036","0.0011","17.4068","0.0009","90","","103.799","0.001","90","","3203.5","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H54 B Cl F4 O P2 Ru -","- C25 H54 B Cl F4 O P2 Ru -","- C100 H216 B4 Cl4 F16 O4 P8 Ru4 -","4","1","","Jung, Stefan; Brandt, Carsten D.; Wolf, Justin; Werner, Helmut","Vinyl and carbene ruthenium(II) complexes from hydridoruthenium(II) precursors.","Dalton transactions (Cambridge, England : 2003)","2004","","3","375","383","10.1039/b314425a","","","0.71073","MoKα","","0.0301","0.0289","","","0.0683","0.069","","","","","","1.142","","","","has coordinates,has disorder","179841","2020-10-21","18:00:00",""
"7013783","13.596","0.003","13.618","0.001","13.661","0.002","70.43","0.01","63.34","0.01","75.53","0.01","2114.9","0.6","220","","","","","","","","","","","5","P -1","-P 1","2","Rhodium(iii) tris(2,2'-bipirydine-5,5'-dicarboxylic acid) hexa-aquo","Rhodium(III) tris(2,2'-bipirydine-5,5'-dicarboxylic acid) hexa-aquo","","- C36 H33 N6 O18 Rh -","- C36 H18 N6 O18 Rh -","- C72 H36 N12 O36 Rh2 -","2","1","","Matthews, Craig J.; Elsegood, Mark R. J.; Bernardinelli, Gérald; Clegg, William; Williams, Alan F.","Crystal structures of dicarboxy-2,2'-bipyridyl complexes: the role of hydrogen bonding and stacking interactions.","Dalton transactions (Cambridge, England : 2003)","2004","","3","492","497","10.1039/b314539e","","","1.5418","CuK/a","","","0.056","","","","0.071","","","","","","1.913","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013784","14.605","0.002","12.503","0.002","19.601","0.003","90","","97.147","0.004","90","","3551.5","0.9","160","2","160","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Ruthenium(iii) tris(2,2'-bipyridine-5,5'-dicarboxylic acid) 2.6-hydrate","","","- C36 H27 N6 O14.5 Ru -","- C36 H26 N6 O14.5 Ru -","- C144 H104 N24 O58 Ru4 -","4","0.5","","Matthews, Craig J.; Elsegood, Mark R. J.; Bernardinelli, Gérald; Clegg, William; Williams, Alan F.","Crystal structures of dicarboxy-2,2'-bipyridyl complexes: the role of hydrogen bonding and stacking interactions.","Dalton transactions (Cambridge, England : 2003)","2004","","3","492","497","10.1039/b314539e","","","0.71073","MoKα","","0.1005","0.0582","","","0.0889","0.1006","","","","","","0.936","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013785","9.8979","0.0008","18.215","0.0014","20.7718","0.0016","90","","99.149","0.002","90","","3697.3","0.5","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cobalt(iii) tris(2,2'-bipyridine-4,4'-dicarboxylic acid) hexahydrate","","","- C36 H33 Co N6 O18 -","- C36 H33 Co N6 O18 -","- C144 H132 Co4 N24 O72 -","4","1","","Matthews, Craig J.; Elsegood, Mark R. J.; Bernardinelli, Gérald; Clegg, William; Williams, Alan F.","Crystal structures of dicarboxy-2,2'-bipyridyl complexes: the role of hydrogen bonding and stacking interactions.","Dalton transactions (Cambridge, England : 2003)","2004","","3","492","497","10.1039/b314539e","","","0.71073","MoKα","","0.0732","0.0394","","","0.0801","0.0909","","","","","","1.018","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013786","10.7522","0.0004","11.9924","0.0006","13.9711","0.0008","112.261","0.002","107.954","0.003","92.424","0.003","1559.94","0.14","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[{CuCl(PhNCPhNHPh)}2]","","","- C76 H64 Cl2 Cu2 N8 -","- C76 H64 Cl2 Cu2 N8 -","- C76 H64 Cl2 Cu2 N8 -","1","0.5","","Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.","Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","537","546","10.1039/b314707j","","x-ray","0.71073","MoKα","","0.0836","0.051","","","0.1099","0.1231","","","","","","1.042","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013787","8.2768","0.0002","8.8985","0.0002","10.8561","0.0003","107.04","0.01","95.26","0.001","112.759","0.001","685.61","0.06","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[{CuI(N(iPr)C(NHiPr)NMe2)}2]","","","- C18 H42 Cu2 I2 N6 -","- C18 H42 Cu2 I2 N6 -","- C18 H42 Cu2 I2 N6 -","1","0.5","","Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.","Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","537","546","10.1039/b314707j","","x-ray","0.71073","MoKα","","0.0349","0.0327","","","0.0838","0.0851","","","","","","1.179","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013788","8.8979","0.0007","19.272","0.0019","10.7363","0.0008","90","","113.465","0.005","90","","1688.8","0.3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 Cl2 Li2 N12 -","- C28 H52 Cl2 Li2 N12 -","- C56 H104 Cl4 Li4 N24 -","2","0.5","","Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.","Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","537","546","10.1039/b314707j","","x-ray","0.71073","MoKα","","0.0837","0.0606","","","0.1364","0.1459","","","","","","1.209","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013789","8.5628","0.0002","14.8659","0.0003","11.6451","0.0002","90","","90","","90","","1482.35","0.05","173","2","173","2","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C7 H13 N3 -","- C7 H13 N3 -","- C56 H104 N24 -","8","1","","Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.","Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","537","546","10.1039/b314707j","","x-ray","0.71073","MoKα","","0.0548","0.0491","","","0.1309","0.136","","","","","","1.046","","","","has coordinates,has disorder","179841","2020-10-21","18:00:00",""
"7013790","7.4791","0.0001","14.4246","0.0002","16.1899","0.0003","90","","97.165","0.001","90","","1732.98","0.05","253","2","253","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Ag Cl N6 -","- C14 H26 Ag Cl N6 -","- C56 H104 Ag4 Cl4 N24 -","4","1","","Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.","Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","537","546","10.1039/b314707j","","x-ray","0.71073","MoKα","","0.0379","0.0327","","","0.0839","0.0882","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013791","9.3552","0.0001","16.3599","0.0003","15.2723","0.0002","90","","90.656","0.001","90","","2337.27","0.06","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","[CuCl(PPh3)(C7H13N3)]","","","- C25 H28 Cl Cu N3 P -","- C25 H28 Cl Cu N3 P -","- C100 H112 Cl4 Cu4 N12 P4 -","4","1","","Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.","Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","537","546","10.1039/b314707j","","x-ray","0.71073","MoKα","","0.0444","0.0323","","","0.0691","0.0738","","","","","","1.015","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013792","9.6014","0.0002","11.2158","0.0002","12.0457","0.0002","74.402","0.001","73.373","0.001","89.615","0.001","1193.69","0.04","223","2","223","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[{CuBr(PPh3)(C7H13N3)}2]","","","- C50 H56 Br2 Cu2 N6 P2 -","- C50 H56 Br2 Cu2 N6 P2 -","- C50 H56 Br2 Cu2 N6 P2 -","1","0.5","","Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.","Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","537","546","10.1039/b314707j","","x-ray","0.71073","MoKα","","0.0434","0.0323","","","0.0673","0.0715","","","","","","1.045","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013793","9.6964","0.0002","11.2108","0.0002","12.2893","0.0002","74.032","0.001","72.476","0.001","89.277","0.001","1221.15","0.04","223","2","223","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[{CuI(PPh3)(C7H13N3)}2]","","","- C50 H56 Cu2 I2 N6 P2 -","- C50 H56 Cu2 I2 N6 P2 -","- C50 H56 Cu2 I2 N6 P2 -","1","0.5","","Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.","Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","537","546","10.1039/b314707j","","x-ray","0.71073","MoKα","","0.0282","0.0247","","","0.0579","0.0596","","","","","","1.063","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013794","22.2854","0.0011","15.115","0.0007","19.2895","0.0009","90","","101.878","0.001","90","","6358.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 Cl4 P2 Rh4 -","- C70 H70 Cl4 P2 Rh4 -","- C280 H280 Cl16 P8 Rh16 -","4","1","","Pechmann, Thomas; Brandt, Carsten D.; Werner, Helmut","Extending the coordination capabilities of tertiary phosphines and arsines: preparation, molecular structure, and reactivity of dinuclear rhodium complexes with PR3 and AsR3 in a doubly bridging coordination mode.","Dalton transactions (Cambridge, England : 2003)","2004","","6","959","966","10.1039/b314734g","","","0.71073","MoKα","","0.0249","0.0228","","","0.0541","0.0551","","","","","","1.078","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013795","22.4012","0.0013","15.2521","0.0009","19.4838","0.0011","90","","102.535","0.01","90","","6498.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 As2 Cl4 Rh4 -","- C70 H70 As2 Cl4 Rh4 -","- C280 H280 As8 Cl16 Rh16 -","4","1","","Pechmann, Thomas; Brandt, Carsten D.; Werner, Helmut","Extending the coordination capabilities of tertiary phosphines and arsines: preparation, molecular structure, and reactivity of dinuclear rhodium complexes with PR3 and AsR3 in a doubly bridging coordination mode.","Dalton transactions (Cambridge, England : 2003)","2004","","6","959","966","10.1039/b314734g","","","0.71073","MoKα","","0.0246","0.0222","","","0.0531","0.054","","","","","","1.065","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013796","22.9416","0.0017","22.9416","0.0017","31.23","0.003","90","","90","","120","","14235","2","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C31 H33 I2 O0.67 P Rh2 -","- C31.0067 H33.02 I2 O0.66 P Rh2 -","- C558.12 H594.36 I36 O11.88 P18 Rh36 -","18","0.5","","Pechmann, Thomas; Brandt, Carsten D.; Werner, Helmut","Extending the coordination capabilities of tertiary phosphines and arsines: preparation, molecular structure, and reactivity of dinuclear rhodium complexes with PR3 and AsR3 in a doubly bridging coordination mode.","Dalton transactions (Cambridge, England : 2003)","2004","","6","959","966","10.1039/b314734g","","","0.71073","MoKα","","0.0649","0.0643","","","0.1368","0.1371","","","","","","1.337","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013797","11.1719","0.0008","18.795","0.002","20.625","0.003","90","","90","","90","","4330.8","0.8","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H62 Mg N4 O2 -","- C48 H62 Mg N4 O2 -","- C192 H248 Mg4 N16 O8 -","4","1","","Dove, Andrew P.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Williams, David J.","Magnesium and zinc complexes of a potentially tridentate beta-diketiminate ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","570","578","10.1039/b314760f","","","1.54178","CuKα","","0.1056","0.064","","0.1614","0.13","","","","1.079","1.126","1.126","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013798","20.8408","0.0006","8.5688","0.0004","26.0002","0.0011","90","","106.256","0.003","90","","4457.5","0.3","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Li2 N4 O2 -","- C48 H62 Li2 N4 O2 -","- C192 H248 Li8 N16 O8 -","4","1","","Dove, Andrew P.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Williams, David J.","Magnesium and zinc complexes of a potentially tridentate beta-diketiminate ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","570","578","10.1039/b314760f","","","1.54178","CuKα","","0.084","0.0551","","0.1528","0.1303","","","","1.037","1.084","1.084","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013799","11.407","0.002","18.2361","0.0015","16.251","0.003","90","","104.289","0.014","90","","3275.9","0.9","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 N3 O Si2 Zn -","- C30 H49 N3 O Si2 Zn -","- C120 H196 N12 O4 Si8 Zn4 -","4","1","","Dove, Andrew P.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Williams, David J.","Magnesium and zinc complexes of a potentially tridentate beta-diketiminate ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","570","578","10.1039/b314760f","","","1.54178","CuKα","","0.0431","0.0355","","0.1059","0.0896","","","","1.112","1.132","1.132","","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013800","11.6145","0.0016","16.025","0.003","13.905","0.002","90","","102.273","0.012","90","","2528.9","0.7","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 N2 O Zn -","- C26 H36 N2 O Zn -","- C104 H144 N8 O4 Zn4 -","4","1","","Dove, Andrew P.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Williams, David J.","Magnesium and zinc complexes of a potentially tridentate beta-diketiminate ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","570","578","10.1039/b314760f","","","0.71073","MoKα","","0.1057","0.0541","","","0.1032","0.117","","","","","","0.945","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013801","9.8571","0.0002","17.062","0.0004","20.2092","0.0005","90","","97.6518","0.0014","90","","3368.56","0.13","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 N6 O P4 -","- C24 H56 N6 O P4 -","- C96 H224 N24 O4 P16 -","4","0.5","","Doyle, Emma L.; García, Felipe; Humphrey, Simon M.; Kowenicki, Richard A.; Riera, Lucía; Woods, Anthony D.; Wright, Dominic S.","Steric control in the oligomerisation of phosphazane dimers; towards new phosphorus-nitrogen macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","5","807","812","10.1039/b314790h","","","0.71073","MoKα","","0.1265","0.0992","","","0.2158","0.2268","","","","","","1.211","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013802","18.424","0.004","8.3179","0.0017","23.43","0.005","90","","111.7","0.03","90","","3336.2","1.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H29 N3 O P2 -","- C12 H29 N3 O P2 -","- C96 H232 N24 O8 P16 -","8","1","","Doyle, Emma L.; García, Felipe; Humphrey, Simon M.; Kowenicki, Richard A.; Riera, Lucía; Woods, Anthony D.; Wright, Dominic S.","Steric control in the oligomerisation of phosphazane dimers; towards new phosphorus-nitrogen macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","5","807","812","10.1039/b314790h","","","0.71073","MoKα","","0.1165","0.0576","","","0.1019","0.1203","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013803","10.5902","0.0004","10.6397","0.0003","11.8618","0.0005","92.821","0.001","91.23","0.001","107.173","0.001","1274.51","0.08","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H38 N4 O3 P4 -","- C16 H38 N4 O3 P4 -","- C32 H76 N8 O6 P8 -","2","1","","Doyle, Emma L.; García, Felipe; Humphrey, Simon M.; Kowenicki, Richard A.; Riera, Lucía; Woods, Anthony D.; Wright, Dominic S.","Steric control in the oligomerisation of phosphazane dimers; towards new phosphorus-nitrogen macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","5","807","812","10.1039/b314790h","","","0.71069","MoKα","","0.114","0.0619","","","0.1146","0.1361","","","","","","1.028","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013804","8.747","0.001","27.207","0.002","11.172","0.002","90","","107.4","0.01","90","","2537","0.6","198.2","","198.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 I O2 P2 Ru -","- C25 H31 I O2 P2 Ru -","- C100 H124 I4 O8 P8 Ru4 -","4","1","","Matsushima, Yuji; Onitsuka, Kiyotaka; Takahashi, Shigetoshi","Stereoselective ligand-exchange reaction of planar-chiral cyclopentadienyl-ruthenium complexes: thermodynamic control of configuration at a stereogenic metal center.","Dalton transactions (Cambridge, England : 2003)","2004","","4","547","553","10.1039/b314859a","","","0.7107","MoKα","","","0.0364","","","0.0441","0.0441","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013805","12.253","0.001","13.816","0.002","17.32","0.002","90","","99.179","0.009","90","","2894.5","0.6","198.2","","198.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 I O2 P2 Ru -","- C30 H33 I O2 P2 Ru -","- C120 H132 I4 O8 P8 Ru4 -","4","1","","Matsushima, Yuji; Onitsuka, Kiyotaka; Takahashi, Shigetoshi","Stereoselective ligand-exchange reaction of planar-chiral cyclopentadienyl-ruthenium complexes: thermodynamic control of configuration at a stereogenic metal center.","Dalton transactions (Cambridge, England : 2003)","2004","","4","547","553","10.1039/b314859a","","","0.7107","MoKα","","","0.0449","","","0.0576","0.0576","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013806","11.595","0.001","15.436","0.002","9.7","0.001","98.66","0.009","91.371","0.009","90.948","0.008","1715.5","0.3","203.2","","203.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 I O2 P2 Ru -","- C40 H37 I O2 P2 Ru -","- C80 H74 I2 O4 P4 Ru2 -","2","1","","Matsushima, Yuji; Onitsuka, Kiyotaka; Takahashi, Shigetoshi","Stereoselective ligand-exchange reaction of planar-chiral cyclopentadienyl-ruthenium complexes: thermodynamic control of configuration at a stereogenic metal center.","Dalton transactions (Cambridge, England : 2003)","2004","","4","547","553","10.1039/b314859a","","","0.7107","MoKα","","","0.0401","","","0.0461","0.0461","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013807","12.481","0.002","14.921","0.002","20.483","0.001","90","","100.05","0.008","90","","3756","0.8","223.2","","223.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 I O2 P2 Ru -","- C45 H39 I O2 P2 Ru -","- C180 H156 I4 O8 P8 Ru4 -","4","1","","Matsushima, Yuji; Onitsuka, Kiyotaka; Takahashi, Shigetoshi","Stereoselective ligand-exchange reaction of planar-chiral cyclopentadienyl-ruthenium complexes: thermodynamic control of configuration at a stereogenic metal center.","Dalton transactions (Cambridge, England : 2003)","2004","","4","547","553","10.1039/b314859a","","","0.7107","MoKα","","","0.0305","","","0.0373","0.0373","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013808","13.888","0.001","12.757","0.002","21.158","0.001","90","","95.165","0.006","90","","3733.3","0.7","203.2","","203.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 I O2 P2 Ru -","- C43 H43 I O2 P2 Ru -","- C172 H172 I4 O8 P8 Ru4 -","4","1","","Matsushima, Yuji; Onitsuka, Kiyotaka; Takahashi, Shigetoshi","Stereoselective ligand-exchange reaction of planar-chiral cyclopentadienyl-ruthenium complexes: thermodynamic control of configuration at a stereogenic metal center.","Dalton transactions (Cambridge, England : 2003)","2004","","4","547","553","10.1039/b314859a","","","0.7107","MoKα","","","0.0282","","","0.0349","0.0349","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013809","11.63","0.01","9.681","0.003","32.306","0.007","90","","92.49","0.05","90","","3634","3","203.2","","203.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 I O5 P2 Ru -","- C40 H37 I O5 P2 Ru -","- C160 H148 I4 O20 P8 Ru4 -","4","1","","Matsushima, Yuji; Onitsuka, Kiyotaka; Takahashi, Shigetoshi","Stereoselective ligand-exchange reaction of planar-chiral cyclopentadienyl-ruthenium complexes: thermodynamic control of configuration at a stereogenic metal center.","Dalton transactions (Cambridge, England : 2003)","2004","","4","547","553","10.1039/b314859a","","","0.7107","MoKα","","","0.0301","","","0.0494","0.0494","","","","","","1.308","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013810","13.711","0.005","13.687","0.006","21.162","0.004","90","","92.08","0.02","90","","3969","2","198.2","","198.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 I O5 P2 Ru -","- C43 H43 I O5 P2 Ru -","- C172 H172 I4 O20 P8 Ru4 -","4","1","","Matsushima, Yuji; Onitsuka, Kiyotaka; Takahashi, Shigetoshi","Stereoselective ligand-exchange reaction of planar-chiral cyclopentadienyl-ruthenium complexes: thermodynamic control of configuration at a stereogenic metal center.","Dalton transactions (Cambridge, England : 2003)","2004","","4","547","553","10.1039/b314859a","","","0.7107","MoKα","","","0.0492","","","0.076","0.076","","","","","","1.184","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013811","33.081","0.002","18.5854","0.0013","13.9571","0.001","90","","90","","90","","8581.2","1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F3 Ge25.5 O53 -","- F3.039 Ge25.612 O53.38 -","- F12.156 Ge102.448 O213.52 -","4","0.25","","Villaescusa, Luis A.; Wheatley, Paul S.; Morris, Russell E.; Lightfoot, Philip","A severely interrupted germanate zeolite framework synthesised from isolated double four-ring units.","Dalton transactions (Cambridge, England : 2003)","2004","","5","820","824","10.1039/b314942k","","","0.6899","synchrotron","","0.112","0.1031","","","0.2693","0.2744","","","","","","1.303","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013812","9.3113","0.0013","9.5996","0.0013","18.07","0.002","99.062","0.002","95.808","0.002","101.906","0.002","1545.7","0.3","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Fe N2 P2 Pt S2 -","- C36 H28 Fe N2 P2 Pt S2 -","- C72 H56 Fe2 N4 P4 Pt2 S4 -","2","1","","Burchell, Colin J.; Aucott, Stephen M.; Milton, Heather L.; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and characterisation of cyanodithioimidocarbonate [C2N2S2]2- complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","3","369","374","10.1039/b314949h","","","0.71073","MoKα","","0.044","0.0316","","","0.0655","0.0677","","","","","","0.971","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013813","10.861","0.002","14.54","0.003","15.163","0.003","88.894","0.011","88.705","0.01","83.598","0.01","2378.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 N4 P2 Pd S4 -","- C52 H40 N4 P2 Pd S4 -","- C104 H80 N8 P4 Pd2 S8 -","2","1","","Burchell, Colin J.; Aucott, Stephen M.; Milton, Heather L.; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and characterisation of cyanodithioimidocarbonate [C2N2S2]2- complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","3","369","374","10.1039/b314949h","","","0.71073","MoKα","","0.0706","0.0388","","","0.0715","0.079","","","","","","0.94","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013814","33.846","0.01","11.431","0.007","11.03","0.007","90","","92.792","0.009","90","","4262","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 P2 Pt S2 -","- C18 H22 N2 P2 Pt S2 -","- C144 H176 N16 P16 Pt8 S16 -","8","1","","Burchell, Colin J.; Aucott, Stephen M.; Milton, Heather L.; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and characterisation of cyanodithioimidocarbonate [C2N2S2]2- complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","3","369","374","10.1039/b314949h","","","0.71073","MoKα","","0.0467","0.0345","","","0.0676","0.0712","","","","","","1.029","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013815","19.181","0.004","8.843","0.0019","21.576","0.005","90","","102.771","0.003","90","","3569.1","1.4","125","2","125","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H32 Cl6 N4 Rh2 S4 -","- C26 H32 Cl6 N4 Rh2 S4 -","- C104 H128 Cl24 N16 Rh8 S16 -","4","1","","Burchell, Colin J.; Aucott, Stephen M.; Milton, Heather L.; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and characterisation of cyanodithioimidocarbonate [C2N2S2]2- complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","3","369","374","10.1039/b314949h","","","0.71073","MoKα","","0.0782","0.0458","","","0.0672","0.0761","","","","","","0.934","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013816","6.1094","0.0006","7.6907","0.0007","10.7409","0.001","87.09","0.002","80.617","0.002","78.216","0.002","487.34","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 Ni O8 -","- C5 H10 N2 Ni O8 -","- C10 H20 N4 Ni2 O16 -","2","1","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.0445","0.0437","","","0.1126","0.114","","","","","","1.143","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7013817","9.9994","0.0007","12.4504","0.001","6.8223","0.0009","90","","108.486","0.004","90","","805.53","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Co N4 O12 -","- C10 H14 Co N4 O12 -","- C20 H28 Co2 N8 O24 -","2","0.5","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.036","0.0302","","","0.0789","0.0825","","","","","","1.05","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013818","13.0446","0.0014","12.8483","0.0012","7.3416","0.0008","90","","94.951","0.013","90","","1225.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 N4 Na2 Ni O20 -","- C10 H12 N4 Na2 Ni O20 -","- C20 H24 N8 Na4 Ni2 O40 -","2","0.5","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.0535","0.0478","","","0.1331","0.1383","","","","","","1.042","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013819","5.023","0.002","6.476","0.003","13.392","0.002","99.74","0.02","96.17","0.02","108.99","0.05","399.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Cu N4 O12 -","- C10 H14 Cu N4 O12 -","- C10 H14 Cu N4 O12 -","1","0.5","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.0748","0.0585","","","0.1494","0.1598","","","","","","1.018","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013820","10.021","0.002","12.456","0.005","6.871","0.003","90","","108.23","0.03","90","","814.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-diaquo-bis(pyrazole-3-carboxylic acid-5- carboxylate)zinc(ii) dihydrate","trans-diaquo-bis(pyrazole-3-carboxylic acid-5-carboxylate)zinc(II) dihydrate","","- C10 H14 N4 O12 Zn -","- C10 H14 N4 O12 Zn -","- C20 H28 N8 O24 Zn2 -","2","0.5","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.0523","0.0318","","","0.0736","0.0802","","","","","","1.008","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013821","6.4681","0.0006","6.1154","0.0006","19.932","0.002","90","","91.956","0.008","90","","787.95","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Mn2 N4 O12 -","- C10 H12 Mn2 N4 O12 -","- C20 H24 Mn4 N8 O24 -","2","0.5","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.0291","0.0249","","","0.0648","0.0679","","","","","","1.046","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013822","7.2808","0.0007","7.3579","0.001","12.0107","0.0011","103.89","0.008","92.257","0.007","112.48","0.007","570.95","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Mn2 N4 O18 -","- C10 H24 Mn2 N4 O18 -","- C10 H24 Mn2 N4 O18 -","1","0.5","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.0283","0.0263","","","0.0706","0.0719","","","","","","1.042","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013823","6.8212","0.0007","7.3875","0.0008","8.5066","0.0009","105.248","0.002","90.594","0.002","111.65","0.002","381.63","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N4 Ni2 O12 -","- C10 H12 N4 Ni2 O12 -","- C10 H12 N4 Ni2 O12 -","1","0.5","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.0509","0.0501","","","0.124","0.1244","","","","","","1.151","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013824","12.1421","0.0007","17.6251","0.0014","13.6226","0.0008","90","","101.174","0.007","90","","2860","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Cu2 N6 O10 -","- C22 H38 Cu2 N6 O10 -","- C88 H152 Cu8 N24 O40 -","4","1","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.0947","0.0634","","","0.1781","0.1849","","","","","","1.064","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013825","3.5938","0.0014","9.659","0.004","10.934","0.004","111.01","0.03","93.3","0.03","95.59","0.03","350.9","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Cu2 N4 Na2 O10 -","- C10 H6 Cu2 N4 Na2 O10 -","- C10 H6 Cu2 N4 Na2 O10 -","1","0.5","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.0457","0.0404","","","0.1063","0.1105","","","","","","1.126","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013826","7.0477","0.0009","12.5228","0.0014","21.422","0.003","90","","94.699","0.014","90","","1884.3","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N4 Ni3 O16 -","- C10 H10 N4 Ni3 O16 -","- C40 H40 N16 Ni12 O64 -","4","0.5","","King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.","Dalton transactions (Cambridge, England : 2003)","2004","","6","852","861","10.1039/b315067d","","","0.71073","MoKα","","0.135","0.0892","","","0.2204","0.2482","","","","","","0.947","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013827","13.829","0.009","13.961","0.016","23.11","0.01","90.22","0.06","103.26","0.04","118.86","0.07","3769","6","295","","295","","","","","","","","?","7","P -1","-P 1","2","","","","- Fe2 H114 Mn2 Na14 O169 P4 W30 -","- Fe2 Mn2 Na7 O136 P4 W30 -","- Fe2 Mn2 Na7 O136 P4 W30 -","1","0.5","","Ruhlmann, Laurent; Canny, Jacqueline; Vaissermann, Jacqueline; Thouvenot, René","Mixed-metal sandwich complexes [M(II)2(H2O)2Fe(III)2(P2W15O56)2]14- (M(II) = Co, Mn): synthesis and stability. The molecular structure of [M(II)2(H2O)2Fe(III)2(P2W15O56)2]14-.","Dalton transactions (Cambridge, England : 2003)","2004","","5","794","800","10.1039/b315088g","","","0.71073","MoKα","","0.1734","0.0728","","0.0967","0.0742","0.0742","","","","","","1.1511","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7013828","13.6645","0.0016","13.8257","0.0016","21.173","0.002","92.352","0.009","95.65","0.009","118.634","0.008","3475.9","0.7","295","","295","","","","","","","","?","7","P -1","-P 1","2","","","","- Co2 Fe2 H132 Na14 O178 P4 W30 -","- Co2 Fe2 Na5 O134 P4 W30 -","- Co2 Fe2 Na5 O134 P4 W30 -","1","0.5","","Ruhlmann, Laurent; Canny, Jacqueline; Vaissermann, Jacqueline; Thouvenot, René","Mixed-metal sandwich complexes [M(II)2(H2O)2Fe(III)2(P2W15O56)2]14- (M(II) = Co, Mn): synthesis and stability. The molecular structure of [M(II)2(H2O)2Fe(III)2(P2W15O56)2]14-.","Dalton transactions (Cambridge, England : 2003)","2004","","5","794","800","10.1039/b315088g","","","0.71073","MoKα","","0.1515","0.0795","","0.1558","0.0894","0.0894","","","","","","1.0657","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7013829","9.084","0.003","10.628","0.004","19.583","0.007","100.24","0.02","95.57","0.03","105.44","0.02","1772.5","1.1","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 Br10 Cu6 N14 -","- C62 H62 Br10 Cu6 N14 -","- C62 H62 Br10 Cu6 N14 -","1","0.5","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.; Bernhardt, Paul V.","Novel one-dimensional structures and solution behaviour of copper(II) bromide and chloride complexes of a new pentapyridyldiamine ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","778","787","10.1039/b315202b","","","0.71073","MoKα","","","0.053","","","","0.058","","","","","","1.69","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013830","11.643","0.005","22.669","0.005","15.249","0.006","90","","102.53","0.02","90","","3929","2","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Br2 Cl2 Cu2 N8 O8 -","- C33 H31 Br2 Cl2 Cu2 N8 O8 -","- C132 H124 Br8 Cl8 Cu8 N32 O32 -","4","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.; Bernhardt, Paul V.","Novel one-dimensional structures and solution behaviour of copper(II) bromide and chloride complexes of a new pentapyridyldiamine ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","778","787","10.1039/b315202b","","","0.71073","MoKα","","","0.05","","","","0.07","","","","","","1.65","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013831","8.896","0.004","10.771","0.006","19.092","0.009","96.06","0.03","96.45","0.03","103.43","0.03","1751.6","1.5","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 Br3 Cl Cu2 N7 O4 -","- C31 H31 Br3 Cl Cu2 N7 O4 -","- C62 H62 Br6 Cl2 Cu4 N14 O8 -","2","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.; Bernhardt, Paul V.","Novel one-dimensional structures and solution behaviour of copper(II) bromide and chloride complexes of a new pentapyridyldiamine ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","778","787","10.1039/b315202b","","","0.71073","MoKα","","","0.058","","","","0.068","","","","","","1.83","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013832","25.159","0.015","16.587","0.005","21.312","0.011","90","","113.12","0.02","90","","8179","7","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H43 Cl4 Cu2 N7 O6 -","- C31 H31 Cl5 Cu2 N7 O5 -","- C248 H248 Cl40 Cu16 N56 O40 -","8","1","","Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.; Bernhardt, Paul V.","Novel one-dimensional structures and solution behaviour of copper(II) bromide and chloride complexes of a new pentapyridyldiamine ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","778","787","10.1039/b315202b","","","1.54184","CuKα","","","0.057","","","","0.079","","","","","","1.77","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013833","7.6927","0.0008","13.5948","0.0014","12.9203","0.0014","90","","100.354","0.002","90","","1329.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C36 H72 B40 -","4","1","","Lee, Taegweon; Jeon, Joonsang; Song, Kyu Ho; Jung, Il; Baik, Chul; Park, Ki-Min; Lee, Shim Sung; Kang, Sang Ook; Ko, Jaejung","Generation and trapping reaction of an efficient 1,2-dehydrocarborane precursor, phenyl[o-(trimethylsilyl)carboranyl]iodonium acetate.","Dalton transactions (Cambridge, England : 2003)","2004","","6","933","937","10.1039/b315205g","","","0.71073","MoKα","","0.0939","0.0665","","","0.1804","0.1991","","","","","","1.047","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013834","8.7419","0.0018","15.71","0.003","13.3","0.0017","90","","90","","90","","1826.6","0.6","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C64 H80 B40 -","4","1","","Lee, Taegweon; Jeon, Joonsang; Song, Kyu Ho; Jung, Il; Baik, Chul; Park, Ki-Min; Lee, Shim Sung; Kang, Sang Ook; Ko, Jaejung","Generation and trapping reaction of an efficient 1,2-dehydrocarborane precursor, phenyl[o-(trimethylsilyl)carboranyl]iodonium acetate.","Dalton transactions (Cambridge, England : 2003)","2004","","6","933","937","10.1039/b315205g","","","0.71073","MoKα","","0.1614","0.0843","","","0.1896","0.2376","","","","","","1.044","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013835","8.532","0.0002","13.338","0.0003","19.076","0.0004","90","","102.986","0.0012","90","","2115.33","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 As Cl Fe O2 -","- C21 H28 As Cl Fe O2 -","- C84 H112 As4 Cl4 Fe4 O8 -","4","1","","Weber, Lothar; Pumpenmeier, Lars; Stammler, Hans-Georg; Neumann, Beate","Synthesis, structure and reactivity of ferrio-chloro-phosphanes, -arsanes and -stibanes [(CO)2(eta5-C5Me5)FePn(Cl)R] (Pn = P, As, Sb); R = tetramethylcyclopentadienyl, 2,7-di-tert-butylfluorenyl, 2,7-di-tert-butyl-9-trimethylsilylfluorenyl) as precursor to novel metallo-phosphaalkenes, -arsaalkenes, and -stibaalkenes.","Dalton transactions (Cambridge, England : 2003)","2004","","4","659","667","10.1039/b315221a","","","0.71073","MoKα","","0.0355","0.0294","","","0.0693","0.0716","","","","","","1.045","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013836","9.591","0.0013","15.155","0.0013","15.256","0.002","90","","90","","90","","2217.5","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H28 Cl Fe O2 Sb -","- C21 H28 Cl Fe O2 Sb -","- C84 H112 Cl4 Fe4 O8 Sb4 -","4","0.5","","Weber, Lothar; Pumpenmeier, Lars; Stammler, Hans-Georg; Neumann, Beate","Synthesis, structure and reactivity of ferrio-chloro-phosphanes, -arsanes and -stibanes [(CO)2(eta5-C5Me5)FePn(Cl)R] (Pn = P, As, Sb); R = tetramethylcyclopentadienyl, 2,7-di-tert-butylfluorenyl, 2,7-di-tert-butyl-9-trimethylsilylfluorenyl) as precursor to novel metallo-phosphaalkenes, -arsaalkenes, and -stibaalkenes.","Dalton transactions (Cambridge, England : 2003)","2004","","4","659","667","10.1039/b315221a","","","0.71073","MoKα","","0.0588","0.0324","","","0.0675","0.0794","","","","","","1.108","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013837","11.022","0.0001","11.285","0.0002","14.893","0.0002","79.929","0.0007","77.849","0.0007","76.957","0.0006","1748.37","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 As Cl Fe O2 Si -","- C36 H48 As Cl Fe O2 Si -","- C72 H96 As2 Cl2 Fe2 O4 Si2 -","2","1","","Weber, Lothar; Pumpenmeier, Lars; Stammler, Hans-Georg; Neumann, Beate","Synthesis, structure and reactivity of ferrio-chloro-phosphanes, -arsanes and -stibanes [(CO)2(eta5-C5Me5)FePn(Cl)R] (Pn = P, As, Sb); R = tetramethylcyclopentadienyl, 2,7-di-tert-butylfluorenyl, 2,7-di-tert-butyl-9-trimethylsilylfluorenyl) as precursor to novel metallo-phosphaalkenes, -arsaalkenes, and -stibaalkenes.","Dalton transactions (Cambridge, England : 2003)","2004","","4","659","667","10.1039/b315221a","","","0.71073","MoKα","","0.0356","0.0286","","","0.0729","0.0762","","","","","","1.039","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013838","10.341","0.0001","15.214","0.0001","16.221","0.0002","89.823","0.0005","73.759","0.0004","72.133","0.0005","2322.43","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H65 Fe O2 Sb -","- C54 H65 Fe O2 Sb -","- C108 H130 Fe2 O4 Sb2 -","2","1","","Weber, Lothar; Pumpenmeier, Lars; Stammler, Hans-Georg; Neumann, Beate","Synthesis, structure and reactivity of ferrio-chloro-phosphanes, -arsanes and -stibanes [(CO)2(eta5-C5Me5)FePn(Cl)R] (Pn = P, As, Sb); R = tetramethylcyclopentadienyl, 2,7-di-tert-butylfluorenyl, 2,7-di-tert-butyl-9-trimethylsilylfluorenyl) as precursor to novel metallo-phosphaalkenes, -arsaalkenes, and -stibaalkenes.","Dalton transactions (Cambridge, England : 2003)","2004","","4","659","667","10.1039/b315221a","","","0.71073","MoKα","","0.04","0.0334","","","0.083","0.0866","","","","","","1.033","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013839","7.2393","0.0006","10.7555","0.0009","7.513","0.0006","90","","94.407","0.001","90","","583.25","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Potassium polymeric diperoxo malato oxomolybdenum(VI)","","","- C4 H6 K2 Mo O11 -","- C4 H6 K2 Mo O11 -","- C8 H12 K4 Mo2 O22 -","2","1","","Zhou, Zhao-Hui; Hou, Shu-Ya; Wan, Hui-Lin","Peroxomolybdate(VI)-citrate and -malate complex interconversions by pH-dependence. Synthetic, structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1393","1399","10.1039/b315280d","","","0.71073","MoKα","","0.036","0.0346","","","0.0777","0.0785","","","","","","1.031","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013840","7.9131","0.0005","9.4755","0.0006","11.3561","0.0007","72.314","0.001","77.384","0.001","72.276","0.001","765.26","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Potassium dimeric diperoxo hydrogen citrato oxomolybdenum(VI)","","","- C12 H23 K5 Mo2 O30 -","- C12 H23 K5 Mo2 O30 -","- C12 H23 K5 Mo2 O30 -","1","0.5","","Zhou, Zhao-Hui; Hou, Shu-Ya; Wan, Hui-Lin","Peroxomolybdate(VI)-citrate and -malate complex interconversions by pH-dependence. Synthetic, structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1393","1399","10.1039/b315280d","","","0.71073","MoKα","","0.0373","0.0354","","","0.0896","0.0914","","","","","","1.035","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013841","22.361","0.002","10.3537","0.0008","7.8268","0.0006","90","","90","","90","","1812.1","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Potassium diperoxo citrato oxomolybdenum(VI) tetrahydrate","","","- C6 H12 K4 Mo O16 -","- C6 H12 K4 Mo O16 -","- C24 H48 K16 Mo4 O64 -","4","0.5","","Zhou, Zhao-Hui; Hou, Shu-Ya; Wan, Hui-Lin","Peroxomolybdate(VI)-citrate and -malate complex interconversions by pH-dependence. Synthetic, structural and spectroscopic studies.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1393","1399","10.1039/b315280d","","","0.71073","MoKα","","0.042","0.031","","","0.075","0.079","","","","","","1.01","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013842","34.746","0.007","25.078","0.005","21.379","0.004","90","","119.67","0.03","90","","16186","7","180","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C106 H108 F30 N33 O19 P5 Zn4 -","- C106 H80 F30 N33 O19 P5 Zn4 -","- C424 H320 F120 N132 O76 P20 Zn16 -","4","0.5","","He, Zheng; He, Cheng; Wang, Zhe-Ming; Gao, En-Qing; Liu, Yuan; Yan, Chun-Hua","Self-assembly of molecular squares based on easy-to-prepare multidentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","502","504","10.1039/b315281b","","","0.71073","MoKα","","0.1452","0.0773","","","0.2029","0.2236","","","","","","0.866","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013843","39.488","0.006","39.488","0.006","25.498","0.005","90","","90","","120","","34432","10","180","2","293","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C115 H125 F30 N30 O19 P5 Zn4 -","- C59.8333 H40 F17.2 N13 O9.33333 P3.00667 Zn2 -","- C718 H480 F206.4 N156 O112 P36.08 Zn24 -","12","0.5","","He, Zheng; He, Cheng; Wang, Zhe-Ming; Gao, En-Qing; Liu, Yuan; Yan, Chun-Hua","Self-assembly of molecular squares based on easy-to-prepare multidentate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","502","504","10.1039/b315281b","","","0.71073","MoKα","","0.145","0.0852","","","0.2267","0.2542","","","","","","0.916","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013844","36.198","0.01","7.075","0.002","24.157","0.007","90","","119.867","0.005","90","","5365","3","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","N,N-bis(2-pyridylmethyl)-beta-alaninate-oxo-peroxovanadate 2[VO(O2)Hbpa].[VO(O2)bpa].2ClO4.2.25H2O","","- C45 H54.5 Cl2 N9 O25.25 V3 -","- C45 H54.5 Cl2 N9 O25.25 V3 -","- C180 H218 Cl8 N36 O101 V12 -","4","1","","Casny, Marian; Rehder, Dieter","Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets","Dalton transactions (Cambridge, England : 2003)","2004","","5","839","846","10.1039/b315291j","","","0.71073","MoKα","","0.0556","0.0446","","","0.0737","0.0774","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013845","24.2665","0.0017","6.8788","0.0008","14.9452","0.0014","90","","90","","90","","2494.7","0.4","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","K[VO(O2)Hheida] dihydrate","Potassium (N-(2-hydroxyethyl)iminodiacetato)-peroxo-oxo-vanadium(V) dihydrate","","- C6 H13 K N O10 V -","- C6 H13 K N O10 V -","- C48 H104 K8 N8 O80 V8 -","8","1","","Casny, Marian; Rehder, Dieter","Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets.","Dalton transactions (Cambridge, England : 2003)","2004","","5","839","846","10.1039/b315291j","","","1.54178","CuKα","","0.0403","0.0373","","","0.1026","0.1049","","","","","","1.09","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013846","12.553","0.003","17.634","0.004","14.037","0.004","90","","93.5","0.005","90","","3101.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium Bis(3-hydroxypicolinato)-oxo-monoperoxovanadate(V)","","- C28 H44 N3 O9.25 V -","- C28 H44 N3 O9.236 V -","- C112 H176 N12 O36.944 V4 -","4","1","","Casny, Marian; Rehder, Dieter","Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets.","Dalton transactions (Cambridge, England : 2003)","2004","","5","839","846","10.1039/b315291j","","","0.71073","MoKα","","0.0991","0.059","","","0.1443","0.1588","","","","","","0.907","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013847","7.7286","0.0006","13.4968","0.001","16.0536","0.0012","110.444","0.001","95.464","0.001","93.292","0.001","1554.6","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Ammonium Bis(3-hydroxypicolinato)-oxo-monoperoxovanadate(V) monohydrate","","- C12 H14 N3 O10 V -","- C12 H14 N3 O10 V -","- C48 H56 N12 O40 V4 -","4","2","","Casny, Marian; Rehder, Dieter","Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets.","Dalton transactions (Cambridge, England : 2003)","2004","","5","839","846","10.1039/b315291j","","","0.71073","MoKα","","0.0681","0.0436","","","0.0916","0.0978","","","","","","0.907","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013848","8.69","0.003","10.188","0.004","10.689","0.004","68.023","0.006","86.283","0.006","66.403","0.006","800.2","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Ag2 B2 F8 N4 S4 -","- C26 H28 Ag2 B2 F8 N4 S4 -","- C26 H28 Ag2 B2 F8 N4 S4 -","1","0.5","","Xie, Ya-Bo; Zhang, Chong; Li, Jian-Rong; Bu, Xian-He","Polymeric silver(I) complexes with pyridyl dithioether ligands: experimental and theoretical investigations on the coordination properties of the ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","562","569","10.1039/b315320g","","","0.71073","MoKα","","0.0459","0.0326","","","0.0754","0.0827","","","","","","1.018","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013849","7.634","0.002","9.967","0.002","11.967","0.002","96.45","0.03","94.23","0.03","104.63","0.03","870.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 Ag Cl N2 O4 S2 -","- C14 H15 Ag Cl N2 O4 S2 -","- C28 H30 Ag2 Cl2 N4 O8 S4 -","2","1","","Xie, Ya-Bo; Zhang, Chong; Li, Jian-Rong; Bu, Xian-He","Polymeric silver(I) complexes with pyridyl dithioether ligands: experimental and theoretical investigations on the coordination properties of the ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","562","569","10.1039/b315320g","","","0.71073","MoKα","","0.0515","0.0476","","","0.1184","0.1222","","","","","","1.101","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013850","8.856","0.003","10.821","0.003","12.864","0.004","66.487","0.005","78.556","0.005","82.009","0.006","1105.5","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H19 Ag F6 N3 P S2 -","- C16 H19 Ag F6 N3 P S2 -","- C32 H38 Ag2 F12 N6 P2 S4 -","2","1","","Xie, Ya-Bo; Zhang, Chong; Li, Jian-Rong; Bu, Xian-He","Polymeric silver(I) complexes with pyridyl dithioether ligands: experimental and theoretical investigations on the coordination properties of the ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","562","569","10.1039/b315320g","","","0.71073","MoKα","","0.1859","0.0644","","","0.1153","0.1502","","","","","","0.969","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013851","15.725","0.01","16.132","0.01","18.87","0.012","90","","97.024","0.017","90","","4751","5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Ag B Cl3 F4 N2 S2 -","- C16 H19 Ag B Cl3 F4 N2 S2 -","- C128 H152 Ag8 B8 Cl24 F32 N16 S16 -","8","1","","Xie, Ya-Bo; Zhang, Chong; Li, Jian-Rong; Bu, Xian-He","Polymeric silver(I) complexes with pyridyl dithioether ligands: experimental and theoretical investigations on the coordination properties of the ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","562","569","10.1039/b315320g","","","0.71073","MoKα","","0.1929","0.075","","","0.1314","0.173","","","","","","1.004","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013852","17.382","0.005","21.7","0.006","14.334","0.005","90","","117.854","0.008","90","","4780","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H20 Ag F3 N2 O3.5 S3 -","- C16.5 H20 Ag F3 N2 O3.5 S3 -","- C132 H160 Ag8 F24 N16 O28 S24 -","8","1","","Xie, Ya-Bo; Zhang, Chong; Li, Jian-Rong; Bu, Xian-He","Polymeric silver(I) complexes with pyridyl dithioether ligands: experimental and theoretical investigations on the coordination properties of the ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","562","569","10.1039/b315320g","","","0.71073","MoKα","","0.1543","0.0678","","","0.1636","0.2043","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013853","17.502","0.012","17.831","0.013","13.25","0.009","90","","106.446","0.012","90","","3966","5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H40 Ag2 B2 F8 N4 S4 -","- C32 H40 Ag2 B2 F8 N4 S4 -","- C128 H160 Ag8 B8 F32 N16 S16 -","4","1","","Xie, Ya-Bo; Zhang, Chong; Li, Jian-Rong; Bu, Xian-He","Polymeric silver(I) complexes with pyridyl dithioether ligands: experimental and theoretical investigations on the coordination properties of the ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","562","569","10.1039/b315320g","","","0.71073","MoKα","","0.1473","0.073","","","0.1974","0.2508","","","","","","1.022","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013854","13.731","0.003","19.097","0.004","8.87","0.002","90","","113.614","0.005","90","","2131.1","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Ag F6 N2 P S2 -","- C16 H20 Ag F6 N2 P S2 -","- C64 H80 Ag4 F24 N8 P4 S8 -","4","0.5","","Xie, Ya-Bo; Zhang, Chong; Li, Jian-Rong; Bu, Xian-He","Polymeric silver(I) complexes with pyridyl dithioether ligands: experimental and theoretical investigations on the coordination properties of the ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","4","562","569","10.1039/b315320g","","","0.71073","MoKα","","0.1323","0.0531","","","0.1157","0.1606","","","","","","0.964","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013855","8.7312","0.0001","10.6343","0.0002","10.893","0.0002","76.8424","0.0008","70.396","0.0006","68.5129","0.0008","880.22","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 F3 Fe N O2 -","- C18 H22 F3 Fe N O2 -","- C36 H44 F6 Fe2 N2 O4 -","2","1","","Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.","Synthesis of mono-amino-functionalised ferrocene, ferrocene salts and ferrocenium salts.","Dalton transactions (Cambridge, England : 2003)","2004","","3","436","441","10.1039/b315359m","","","0.71073","MoKα","","0.0381","0.033","","","0.0848","0.0876","","","","","","1.077","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013856","10.2374","0.0001","7.8466","0.0001","20.5146","0.0003","90","","90.763","0.0005","90","","1647.77","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 B F4 Fe N -","- C16 H22 B F4 Fe N -","- C64 H88 B4 F16 Fe4 N4 -","4","1","","Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.","Synthesis of mono-amino-functionalised ferrocene, ferrocene salts and ferrocenium salts.","Dalton transactions (Cambridge, England : 2003)","2004","","3","436","441","10.1039/b315359m","","","0.71073","MoKα","","0.0399","0.0313","","","0.0828","0.0875","","","","","","1.059","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013857","12.8882","0.0002","13.101","0.0002","20.0636","0.0004","74.6948","0.0006","74.7805","0.0006","70.9655","0.0006","3030.51","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 B F4 Fe N -","- C14 H20 B F4 Fe N -","- C112 H160 B8 F32 Fe8 N8 -","8","4","","Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.","Synthesis of mono-amino-functionalised ferrocene, ferrocene salts and ferrocenium salts.","Dalton transactions (Cambridge, England : 2003)","2004","","3","436","441","10.1039/b315359m","","","0.71073","MoKα","","0.0514","0.0358","","","0.0863","0.0949","","","","","","1.009","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013858","10.276","0.0002","14.492","0.0003","10.305","0.0002","90","","103.653","0.0009","90","","1491.25","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl3 Ge P -","- C12 H12 Cl3 Ge P -","- C48 H48 Cl12 Ge4 P4 -","4","1","","Apostolico, Leonardo; Mahon, Mary F.; Molloy, Kieran C.; Binions, Russell; Blackman, Christopher S.; Carmalt, Claire J.; Parkin, Ivan P.","The reaction of GeCl4 with primary and secondary phosphines.","Dalton transactions (Cambridge, England : 2003)","2004","","3","470","475","10.1039/b315378a","","","0.71069","MoKα","","0.0553","0.0337","","","0.0727","0.0807","","","","","","1.023","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013859","30.2955","0.0009","6.1385","0.0002","12.9839","0.0005","90","","103.999","0.001","90","","2342.89","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 Cl3 Ge P -","- C6 H14 Cl3 Ge P -","- C48 H112 Cl24 Ge8 P8 -","8","1","","Apostolico, Leonardo; Mahon, Mary F.; Molloy, Kieran C.; Binions, Russell; Blackman, Christopher S.; Carmalt, Claire J.; Parkin, Ivan P.","The reaction of GeCl4 with primary and secondary phosphines.","Dalton transactions (Cambridge, England : 2003)","2004","","3","470","475","10.1039/b315378a","","","0.71069","MoKα","","0.0496","0.0329","","","0.0766","0.0845","","","","","","1.01","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013860","15.9893","0.0006","12.8602","0.0004","8.4619","0.0002","90","","90","","90","","1739.98","0.09","180","2","180","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H15 Br0.2 Cl0.8 Li N3 Si -","- C16 H15 Br0.2 Cl0.8 Li N3 Si -","- C64 H60 Br0.8 Cl3.2 Li4 N12 Si4 -","4","0.5","","García, Felipe; Hopkins, Alexander D.; Humphrey, Simon M.; McPartlin, Mary; Rogers, Michael C.; Wright, Dominic S.","The first example of a Si-bridged tris(pyridyl) ligand; synthesis and structure of [MeSi(2-C5H4N)3LiX](X = 0.2Br, 0.8Cl).","Dalton transactions (Cambridge, England : 2003)","2004","","3","361","362","10.1039/b315503j","","","0.71073","MoKα","","0.0764","0.0463","","","0.0872","0.0982","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013861","19.14","0.005","11.221","0.003","14.373","0.004","90","","90","","90","","3086.9","1.4","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","4","","","- C17 H24 N2 -","- C17 H24 N2 -","- C136 H192 N16 -","8","2","","Klappa, Jamie J.; Geers, Sarah A.; Schmidtke, Sarah J.; MacManus-Spencer, Laura A; McNeill, Kristopher","Pyridylpyrrolides as alternatives to cyclometalated phenylpyridine ligands: synthesis and characterization of luminescent zinc and boron pyridylpyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","883","891","10.1039/b315523d","","","0.71073","MoKα","","0.0687","0.0611","","","0.1505","0.1556","","","","","","1.035","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013862","11.929","0.003","12.286","0.003","13.777","0.004","81.694","0.005","83.582","0.005","88.531","0.005","1985.4","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","01218","","","- C22 H22 N4 Zn -","- C22 H22 N4 Zn -","- C88 H88 N16 Zn4 -","4","2","","Klappa, Jamie J.; Geers, Sarah A.; Schmidtke, Sarah J.; MacManus-Spencer, Laura A; McNeill, Kristopher","Pyridylpyrrolides as alternatives to cyclometalated phenylpyridine ligands: synthesis and characterization of luminescent zinc and boron pyridylpyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","883","891","10.1039/b315523d","","","0.71073","MoKα","","0.0457","0.0338","","","0.0845","0.0921","","","","","","1.025","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013863","10.6415","0.0014","10.8583","0.0015","27.459","0.004","90","","92.306","0.002","90","","3170.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9","","","- C34 H46.68 N4 Zn0.66 -","- C34 H46.678 N4 Zn0.661 -","- C136 H186.712 N16 Zn2.644 -","4","1","","Klappa, Jamie J.; Geers, Sarah A.; Schmidtke, Sarah J.; MacManus-Spencer, Laura A; McNeill, Kristopher","Pyridylpyrrolides as alternatives to cyclometalated phenylpyridine ligands: synthesis and characterization of luminescent zinc and boron pyridylpyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","883","891","10.1039/b315523d","","","0.71073","MoKα","","0.0743","0.0564","","","0.1404","0.1484","","","","","","1.007","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013864","7.145","0.004","8.99","0.005","9.3","0.005","65.793","0.008","89.589","0.009","75.611","0.009","524.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","03064","","","- C11 H11 B F2 N2 -","- C11 H11 B F2 N2 -","- C22 H22 B2 F4 N4 -","2","1","","Klappa, Jamie J.; Geers, Sarah A.; Schmidtke, Sarah J.; MacManus-Spencer, Laura A; McNeill, Kristopher","Pyridylpyrrolides as alternatives to cyclometalated phenylpyridine ligands: synthesis and characterization of luminescent zinc and boron pyridylpyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","883","891","10.1039/b315523d","","","0.71073","MoKα","","0.049","0.0388","","","0.091","0.095","","","","","","1.012","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013865","8.315","0.005","23.272","0.005","11.159","0.001","90","","96.53","0.02","90","","2145.3","1.4","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Br Cl Hg N5 O4 -","- C18 H21 Br Cl Hg N5 O4 -","- C72 H84 Br4 Cl4 Hg4 N20 O16 -","4","1","","Bazzicalupi, Carla; Bencini, Andrea; Berni, Emanuela; Bianchi, Antonio; Borsari, Lucia; Giorgi, Claudia; Valtancoli, Barbara; Lodeiro, Carlos; Lima, João Carlos; Parola, A. Jorge; Pina, Fernando","Protonation and coordination properties towards Zn(II), Cd(II) and Hg(II) of a phenanthroline-containing macrocycle with an ethylamino pendant arm.","Dalton transactions (Cambridge, England : 2003)","2004","","4","591","597","10.1039/b315608g","","","1.5418","CuKα","","0.063","0.0396","","","0.0891","0.1018","","","","","","0.917","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013866","11.4338","0.0002","25.3055","0.0007","16.0016","0.0004","90","","100.177","0.001","90","","4557.03","0.19","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl4 N2 O2 P2 Re -","- C48 H43 Cl4 N2 O2 P2 Re -","- C192 H172 Cl16 N8 O8 P8 Re4 -","4","1","","Marvelli, Lorenza; Mantovani, Nicoletta; Marchi, Andrea; Rossi, Roberto; Brugnati, Michele; Peruzzini, Maurizio; Barbaro, Pierluigi; de los Rios, Isaac; Bertolasi, Valerio","Synthesis, characterisation and molecular structure of Re(III) 2-oxacyclocarbenes stabilised by a benzoyldiazenido ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","713","722","10.1039/b315693a","","","0.7107","MoKα","","0.0803","0.0441","","","0.0819","0.0971","","","","","","1.104","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013867","16.0911","0.0002","15.0661","0.0002","19.1572","0.0003","90","","110.089","0.001","90","","4361.73","0.11","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl2 N2 O2 P2 Re -","- C48 H43 Cl2 N2 O2 P2 Re -","- C192 H172 Cl8 N8 O8 P8 Re4 -","4","1","","Marvelli, Lorenza; Mantovani, Nicoletta; Marchi, Andrea; Rossi, Roberto; Brugnati, Michele; Peruzzini, Maurizio; Barbaro, Pierluigi; de los Rios, Isaac; Bertolasi, Valerio","Synthesis, characterisation and molecular structure of Re(III) 2-oxacyclocarbenes stabilised by a benzoyldiazenido ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","713","722","10.1039/b315693a","","","0.7107","MoKα","","0.0608","0.0354","","","0.0706","0.0857","","","","","","1.119","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013868","18.5316","0.0003","11.917","0.0002","20.5233","0.0004","90","","91.718","0.001","90","","4530.35","0.14","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Cl2 N2 O3 P2 Re -","- C50 H49 Cl2 N2 O3 P2 Re -","- C200 H196 Cl8 N8 O12 P8 Re4 -","4","1","","Marvelli, Lorenza; Mantovani, Nicoletta; Marchi, Andrea; Rossi, Roberto; Brugnati, Michele; Peruzzini, Maurizio; Barbaro, Pierluigi; de los Rios, Isaac; Bertolasi, Valerio","Synthesis, characterisation and molecular structure of Re(III) 2-oxacyclocarbenes stabilised by a benzoyldiazenido ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","713","722","10.1039/b315693a","","","0.7107","MoKα","","0.0799","0.0505","","","0.108","0.1235","","","","","","1.151","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013869","11.5556","0.0002","25.2193","0.0006","16.0769","0.0002","90","","101.176","0.001","90","","4596.35","0.15","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H45 Cl4 N2 O2 P2 Re -","- C49 H45 Cl4 N2 O2 P2 Re -","- C196 H180 Cl16 N8 O8 P8 Re4 -","4","1","","Marvelli, Lorenza; Mantovani, Nicoletta; Marchi, Andrea; Rossi, Roberto; Brugnati, Michele; Peruzzini, Maurizio; Barbaro, Pierluigi; de los Rios, Isaac; Bertolasi, Valerio","Synthesis, characterisation and molecular structure of Re(III) 2-oxacyclocarbenes stabilised by a benzoyldiazenido ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","713","722","10.1039/b315693a","","","0.7107","MoKα","","0.0635","0.0464","","","0.09","0.0981","","","","","","1.158","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013870","33.3037","0.0001","11.0025","0.0003","24.7218","0.0005","90","","90","","90","","9058.7","0.3","295","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C47 H42 Cl4 N3 O P2 Re -","- C47 H42 Cl4 N3 O P2 Re -","- C376 H336 Cl32 N24 O8 P16 Re8 -","8","1","","Marvelli, Lorenza; Mantovani, Nicoletta; Marchi, Andrea; Rossi, Roberto; Brugnati, Michele; Peruzzini, Maurizio; Barbaro, Pierluigi; de los Rios, Isaac; Bertolasi, Valerio","Synthesis, characterisation and molecular structure of Re(III) 2-oxacyclocarbenes stabilised by a benzoyldiazenido ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","5","713","722","10.1039/b315693a","","","0.7107","MoKα","","0.0847","0.0491","","","0.0922","0.1146","","","","","","1.169","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013871","12.575","0.002","18.8522","0.0015","16.8556","0.0013","90","","109.247","0.011","90","","3772.6","0.8","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B Cl2 N2 Ti -","- C17 H23 B Cl2 N2 Ti -","- C136 H184 B8 Cl16 N16 Ti8 -","8","2","","Braunschweig, Holger; Breitling, Frank M.; von Koblinski, Carsten; White, Andrew J. P.; Williams, David J.","Synthesis and structure of boron-bridged constrained geometry complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2004","","6","938","943","10.1039/b315708c","","","0.71073","MoKα","","0.1072","0.0502","","0.1203","0.0967","","","","0.998","1.092","1.092","","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013872","7.1231","0.0011","19.0371","0.001","17.219","0.002","90","","97.423","0.014","90","","2315.4","0.5","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 B Cl2 N2 Si2 Ti -","- C17 H27 B Cl2 N2 Si2 Ti -","- C68 H108 B4 Cl8 N8 Si8 Ti4 -","4","1","","Braunschweig, Holger; Breitling, Frank M.; von Koblinski, Carsten; White, Andrew J. P.; Williams, David J.","Synthesis and structure of boron-bridged constrained geometry complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2004","","6","938","943","10.1039/b315708c","","","1.54178","CuKα","","0.0631","0.0493","","0.1454","0.1255","","","","1.05","1.076","1.076","","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013873","9.6645","0.001","9.8449","0.0013","13.8532","0.0014","88.386","0.01","80.406","0.008","75.145","0.009","1256.1","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H37 B N4 Ti -","- C25 H37 B N4 Ti -","- C50 H74 B2 N8 Ti2 -","2","1","","Braunschweig, Holger; Breitling, Frank M.; von Koblinski, Carsten; White, Andrew J. P.; Williams, David J.","Synthesis and structure of boron-bridged constrained geometry complexes of titanium.","Dalton transactions (Cambridge, England : 2003)","2004","","6","938","943","10.1039/b315708c","","","0.71073","MoKα","","0.0743","0.0522","","0.1484","0.1318","","","","1.016","1.053","1.053","","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013874","9.572","0.004","9.754","0.01","16.736","0.014","77.03","0.07","86.91","0.02","87.63","0.01","1520","2","293","2","140","1","","","","","","","","7","P -1","-P 1","2","complex 5","","","- C56 H48 F24 N2 O2 P2 Ti2 -","- C56 H48 F24 N2 O2 P2 Ti2 -","- C56 H48 F24 N2 O2 P2 Ti2 -","1","0.5","","Said, Musa; Hughes, David L.; Bochmann, Manfred","Synthesis and catalytic activity of binuclear titanium imido complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","3","359","360","10.1039/b315711c","","","0.71073","Mo-Kα","","0.1641","0.1191","","","0.276","0.3007","","","","","","0.981","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013875","9.29","0.0006","12.9338","0.0008","13.6222","0.0008","87.766","0.001","84.806","0.001","82.483","0.001","1615.44","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C8.25 H18 Cd Cl0.5 N4 O6 S2 -","- C8.25 H18 Cd Cl0.5 N4 O6 S2 -","- C33 H72 Cd4 Cl2 N16 O24 S8 -","4","2","","Glenny, Mark W.; van de Water, Leon G. A.; Driessen, Willem L.; Reedijk, Jan; Blake, Alexander J.; Wilson, Claire; Schröder, Martin","Conformational and stereochemical flexibility in cadmium(II) complexes of aza-thioether macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1953","1959","10.1039/b315726a","","","0.71073","MoKα","","0.0295","0.0275","","","0.0699","0.0718","","","","","","1.044","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7013876","8.8025","0.0003","14.5648","0.0006","37.518","0.002","90","","90","","90","","4810.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 Cd N3 O6 S3 -","- C8 H16.3333 Cd N3 O6 S3 -","- C96 H196 Cd12 N36 O72 S36 -","12","3","","Glenny, Mark W.; van de Water, Leon G. A.; Driessen, Willem L.; Reedijk, Jan; Blake, Alexander J.; Wilson, Claire; Schröder, Martin","Conformational and stereochemical flexibility in cadmium(II) complexes of aza-thioether macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1953","1959","10.1039/b315726a","","","0.71073","MoKα","","0.0451","0.0444","","","0.115","0.115","","","","","","1.07","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013877","10.2949","0.0007","12.8171","0.0008","12.8662","0.0008","90","","90","","90","","1697.7","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 Cd N3 O8 S2 -","- C10 H21 Cd N3 O8 S2 -","- C40 H84 Cd4 N12 O32 S8 -","4","1","","Glenny, Mark W.; van de Water, Leon G. A.; Driessen, Willem L.; Reedijk, Jan; Blake, Alexander J.; Wilson, Claire; Schröder, Martin","Conformational and stereochemical flexibility in cadmium(II) complexes of aza-thioether macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1953","1959","10.1039/b315726a","","","0.71073","MoKα","","0.0156","0.0153","","","0.0395","0.0397","","","","","","1.052","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7013878","9.4869","0.0005","30.608","0.002","16.5411","0.0009","90","","94.385","0.002","90","","4789.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H49.5 Cd3 Cl N11.5 O20 S2 -","- C25 H51.5 Cd3 Cl N11.5 O20 S2 -","- C100 H206 Cd12 Cl4 N46 O80 S8 -","4","1","","Glenny, Mark W.; van de Water, Leon G. A.; Driessen, Willem L.; Reedijk, Jan; Blake, Alexander J.; Wilson, Claire; Schröder, Martin","Conformational and stereochemical flexibility in cadmium(II) complexes of aza-thioether macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1953","1959","10.1039/b315726a","","","0.71073","MoKα","","0.0743","0.0521","","","0.122","0.133","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7013879","9.719","0.0006","9.8945","0.0007","13.6614","0.0012","88.878","0.004","89.121","0.004","61.153","0.004","1150.48","0.15","223","2","223","2","","","","","","","synthesis as described","7","P -1","-P 1","2","(Co(CO)3(P(N(iPr)2)(N(SiMe3)2)))","","","- C15 H32 Co N2 O3 P Si2 -","- C15 H32 Co N2 O3 P Si2 -","- C30 H64 Co2 N4 O6 P2 Si4 -","2","1","","Bezombes, Jean-Philippe; Hitchcock, Peter B.; Lappert, Michael F.; Nycz, Jacek E.","Synthesis and P-P cleavage reactions of [P(X)X']2; X-ray structures of [Co[P(X)X'](CO)3] and P4[P(X)X']2[X = N(SiMe3)2, X'= NPri2].","Dalton transactions (Cambridge, England : 2003)","2004","","4","499","501","10.1039/b315793h","","x-ray","0.71073","MoKα","","0.1011","0.0706","","","0.1735","0.1904","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013880","13.8004","0.0007","11.0049","0.0005","14.7827","0.0007","90","","112.336","0.002","90","","2076.63","0.17","173","2","173","2","","","","","","","synthesis as described","5","P 1 a 1","P -2ya","7","(P4(P(NiPr2)(N(SiMe3)2))2)","","","- C24 H64 N4 P6 Si4 -","- C24 H64 N4 P6 Si4 -","- C48 H128 N8 P12 Si8 -","2","1","","Bezombes, Jean-Philippe; Hitchcock, Peter B.; Lappert, Michael F.; Nycz, Jacek E.","Synthesis and P-P cleavage reactions of [P(X)X']2; X-ray structures of [Co[P(X)X'](CO)3] and P4[P(X)X']2[X = N(SiMe3)2, X'= NPri2].","Dalton transactions (Cambridge, England : 2003)","2004","","4","499","501","10.1039/b315793h","","x-ray","0.71073","MoKα","","0.0587","0.0495","","","0.1207","0.1273","","","","","","1.037","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013881","15.097","0.002","11.3593","0.0015","33.118","0.004","90","","98.76","0.003","90","","5613.2","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H71 B O P6 Se4 W3 -","- C42 H68.99 B O0.99 P6 Se4 W3 -","- C168 H275.96 B4 O3.96 P24 Se16 W12 -","4","1","","Basallote, Manuel G.; Estevan, Francisco; Feliz, Marta; Jesús Fernández-Trujillo, M; Hoyos, Dora A.; Llusar, Rosa; Uriel, Santiago; Vicent, Cristian","Synthesis and structure of the incomplete cuboidal clusters [W3Se4H3(dmpe)3]+, [W3Se4H(3-x)(OH)x(dmpe)3]+ and [W3Se4(OH)3(dmpe)3]+, and the mechanism of the acid-assisted substitution of the coordinated hydrides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","530","536","10.1039/b315841a","","","0.71073","MoKα","","0.1082","0.0527","","","0.1073","0.1223","","","","","","0.973","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013882","11.1941","0.0014","15.1541","0.0018","17.022","0.002","82.358","0.002","82.591","0.003","88.462","0.002","2837.9","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H71 B O3 P6 Se4 W3 -","- C42 H71 B O3 P6 Se4 W3 -","- C84 H142 B2 O6 P12 Se8 W6 -","2","1","","Basallote, Manuel G.; Estevan, Francisco; Feliz, Marta; Jesús Fernández-Trujillo, M; Hoyos, Dora A.; Llusar, Rosa; Uriel, Santiago; Vicent, Cristian","Synthesis and structure of the incomplete cuboidal clusters [W3Se4H3(dmpe)3]+, [W3Se4H(3-x)(OH)x(dmpe)3]+ and [W3Se4(OH)3(dmpe)3]+, and the mechanism of the acid-assisted substitution of the coordinated hydrides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","530","536","10.1039/b315841a","","","0.71073","MoKα","","0.0686","0.0396","","","0.0834","0.0969","","","","","","0.915","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013883","15.081","0.006","11.364","0.005","33.098","0.016","90","","98.73","0.012","90","","5607","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H71 B P6 Se4 W3 -","- C42 H68 B P6 Se4 W3 -","- C168 H272 B4 P24 Se16 W12 -","4","1","","Basallote, Manuel G.; Estevan, Francisco; Feliz, Marta; Jesús Fernández-Trujillo, M; Hoyos, Dora A.; Llusar, Rosa; Uriel, Santiago; Vicent, Cristian","Synthesis and structure of the incomplete cuboidal clusters [W3Se4H3(dmpe)3]+, [W3Se4H(3-x)(OH)x(dmpe)3]+ and [W3Se4(OH)3(dmpe)3]+, and the mechanism of the acid-assisted substitution of the coordinated hydrides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","530","536","10.1039/b315841a","","","0.71073","MoKα","","0.1291","0.0572","","","0.1159","0.1553","","","","","","0.991","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013884","18.949","0.006","18.153","0.004","17.641","0.003","90","","90","","90","","6068","3","23","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H52 O P3 Rh -","- C25 H52 O P3 Rh -","- C200 H416 O8 P24 Rh8 -","8","1","","Nishihara, Yasushi; Nara, Kyoko; Nishide, Yasuhiro; Osakada, Kohtaro","Cationic Rh complexes with novel spiro tetraarylpentaborate anions prepared from arylboronic acids and aryloxorhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1366","1375","10.1039/b315902g","","","0.7107","MoKα","","","0.038","","","","0.051","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013885","14.3","0.003","27.509","0.006","16.606","0.005","90","","93.23","0.02","90","","6522","3","296.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H96 B5 O6 P4 Rh -","- C56 H96 B5 O6 P4 Rh -","- C224 H384 B20 O24 P16 Rh4 -","4","1","","Nishihara, Yasushi; Nara, Kyoko; Nishide, Yasuhiro; Osakada, Kohtaro","Cationic Rh complexes with novel spiro tetraarylpentaborate anions prepared from arylboronic acids and aryloxorhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1366","1375","10.1039/b315902g","","","0.7107","MoKα","","","0.056","","","","0.067","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013886","11.918","0.003","12.525","0.002","9.851","0.002","106.79","0.01","90.22","0.02","79.76","0.02","1383.6","0.5","23","","","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 O P Rh -","- C33 H34 O P Rh -","- C66 H68 O2 P2 Rh2 -","2","1","","Nishihara, Yasushi; Nara, Kyoko; Nishide, Yasuhiro; Osakada, Kohtaro","Cationic Rh complexes with novel spiro tetraarylpentaborate anions prepared from arylboronic acids and aryloxorhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1366","1375","10.1039/b315902g","","","0.7107","MoKα","","","0.03","","","","0.043","","","","","","0.95","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013887","19.578","0.008","9.863","0.005","27.813","0.006","90","","103.15","0.03","90","","5230","4","296.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 B5 O12 P2 Rh -","- C50 H58 B5 O12 P2 Rh -","- C200 H232 B20 O48 P8 Rh4 -","4","1","","Nishihara, Yasushi; Nara, Kyoko; Nishide, Yasuhiro; Osakada, Kohtaro","Cationic Rh complexes with novel spiro tetraarylpentaborate anions prepared from arylboronic acids and aryloxorhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1366","1375","10.1039/b315902g","","","0.7107","MoKα","","","0.056","","","","0.067","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013888","12.9334","0.0012","34.961","0.004","14.0207","0.0013","90","","113.229","0.01","90","","5825.7","1.1","200","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H54 Eu F9 N10 O13 S3 -","- C45 H52 Eu F9 N10 O13 S3 -","- C180 H208 Eu4 F36 N40 O52 S12 -","4","1","","Le Borgne, Thierry; Altmann, Peter; André, Nicolas; Bünzli, Jean-Claude G; Bernardinelli, Gérald; Morgantini, Pierre-Yves; Weber, Jacques; Piguet, Claude","Tuning facial-meridional isomerisation in monometallic nine-co-ordinate lanthanide complexes with unsymmetrical tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","5","723","733","10.1039/b316035a","","","0.7107","MoKα","","","0.045","","","","0.041","","","","","","1.3","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013889","11.6156","0.0006","13.2032","0.0009","22.0941","0.0013","99.425","0.007","103.063","0.007","99.41","0.007","3184.5","0.4","200","","","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H66 Eu F9 N8 O15.5 S3 -","- C51 H54 Eu F9 N8 O15.5 S3 -","- C102 H108 Eu2 F18 N16 O31 S6 -","2","1","","Le Borgne, Thierry; Altmann, Peter; André, Nicolas; Bünzli, Jean-Claude G; Bernardinelli, Gérald; Morgantini, Pierre-Yves; Weber, Jacques; Piguet, Claude","Tuning facial-meridional isomerisation in monometallic nine-co-ordinate lanthanide complexes with unsymmetrical tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","5","723","733","10.1039/b316035a","","","0.7107","MoKα","","","0.041","","","","0.04","","","","","","1.15","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013890","17.982","0.001","9.961","0.003","22.605","0.001","90","","110.332","0.001","90","","3796.7","1.2","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","Ru Gorilla","","","- C33 H35 F6 N7 O8 Ru S2 -","- C33 H31 F6 N7 O8 Ru S2 -","- C132 H124 F24 N28 O32 Ru4 S8 -","4","1","","Akermark, Björn; Bjernemose, Jens; Börje, Anna; Chmielewski, Piotr J.; Paulsen, Hauke; Simonsen, Ole; Stein, Paul C.; Toftlund, Hans; Wolny, Juliusz A.","Strain-induced substitutional lability in a Ru(II) complex of a hypodentate polypyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1215","1220","10.1039/b316093a","","x-ray","1.54178","CuKα","","0.0596","0.0549","","","0.1506","0.1552","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013891","15.045","0.003","11.053","0.002","13.108","0.003","90","","109.34","0.03","90","","2056.8","0.8","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H24 Cl2 O14 Sm -","- C12 H24 Cl2 O14 Sm -","- C48 H96 Cl8 O56 Sm4 -","4","1","","Starynowicz, Przemysław","Two complexes of Sm(II) with crown ethers-electrochemical synthesis, structure and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2004","","5","825","832","10.1039/b316253b","","","0.71073","MoKα","","0.13","0.1017","","","0.2121","0.2265","","","","","","1.323","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013892","17.903","0.009","17.903","0.009","17.903","0.009","108.35","0.06","108.35","0.06","108.35","0.06","4592","6","293","2","100","2","","","","","","","","5","R 3 c :R","P 3* -2n","161","","","","- C20 H40 Cl2 O18 Sm -","- C20 H40 Cl2 O18 Sm -","- C120 H240 Cl12 O108 Sm6 -","6","1","","Starynowicz, Przemysław","Two complexes of Sm(II) with crown ethers-electrochemical synthesis, structure and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2004","","5","825","832","10.1039/b316253b","","","0.71073","MoKα","","0.1009","0.0548","","","0.0726","0.0811","","","","","","0.931","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013893","18.053","0.011","18.053","0.011","18.053","0.011","108.3","0.06","108.3","0.06","108.3","0.06","4715","7","240","2","240","2","","","","","","","","5","R 3 c :R","P 3* -2n","161","","","","- C20 H40 Cl2 O18 Sm -","- C20 H40 Cl2 O18 Sm -","- C120 H240 Cl12 O108 Sm6 -","6","1","","Starynowicz, Przemysław","Two complexes of Sm(II) with crown ethers-electrochemical synthesis, structure and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2004","","5","825","832","10.1039/b316253b","","","0.71073","MoKα","","0.1464","0.0467","","","0.0526","0.069","","","","","","0.839","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013894","12.963","0.0002","15.488","0.0003","18.846","0.0003","90","","92.831","0.001","90","","3779.11","0.11","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N4 O2 Zn -","- C40 H50 N4 O2 Zn -","- C160 H200 N16 O8 Zn4 -","4","1","","Chang, Ku-Hsien; Huang, Chiung-Cheng; Liu, Yi-Hung; Hu, Ya-Hui; Chou, Pi-Tai; Lin, Ying-Chih","Synthesis of photo-luminescent Zn(II) Schiff base complexes and its derivative containing Pd(II) moiety.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1731","1738","10.1039/b316281h","","","0.71073","MoKα","","0.0888","0.0477","","0.1417","0.1143","","","","1.054","1.086","1.086","","","","","has coordinates","179842","2020-10-21","18:00:00",""
"7013895","6.6958","0.0006","16.119","0.001","21.291","0.002","82.12","0.002","88.887","0.002","89.629","0.002","2275.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 O2 Ru Si -","- C14 H14 O2 Ru Si -","- C84 H84 O12 Ru6 Si6 -","6","3","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.067","0.048","","0.059","","0.055","","","1.205","","","1.27","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013896","11.1851","0.0008","17.171","0.001","24.241","0.002","90","","95.572","0.002","90","","4633.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H56 P2 Ru Si -","- C53 H56 P2 Ru Si -","- C212 H224 P8 Ru4 Si4 -","4","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.094","0.041","","0.041","","0.035","","","0.954","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013897","15.6527","0.0008","13.9997","0.0007","18.9093","0.0009","90","","110.977","0.001","90","","3869","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H48 P2 Ru Si -","- C43 H48 P2 Ru Si -","- C172 H192 P8 Ru4 Si4 -","4","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.062","0.032","","0.038","","0.034","","","0.967","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013898","10.344","0.001","22.719","0.002","14.81","0.002","90","","109.681","0.002","90","","3277.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 P2 Ru -","- C40 H40 P2 Ru -","- C160 H160 P8 Ru4 -","4","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.138","0.054","","0.051","","0.043","","","1.047","","","1.243","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013899","8.884","0.001","31.781","0.004","20.48","0.003","90","","98.529","0.002","90","","5718.4","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H50 Au P3 Ru -","- C63 H50 Au P3 Ru -","- C252 H200 Au4 P12 Ru4 -","4","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.137","0.094","","0.145","","0.13","","","1.228","","","1.313","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013900","17.414","0.002","17.739","0.002","17.806","0.002","90","","91.051","0.003","90","","5499.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 Au Cl4 P3 Ru -","- C60 H58 Au Cl4 P3 Ru -","- C240 H232 Au4 Cl16 P12 Ru4 -","4","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.089","0.041","","0.049","","0.043","","","0.976","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013901","17.3282","0.0007","12.8802","0.0005","23.7007","0.001","90","","96.423","0.001","90","","5256.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61.125 H60.25 Au Cl0.25 P3 Ru -","- C61.125 H60.25 Au Cl0.25 P3 Ru -","- C244.5 H241 Au4 Cl P12 Ru4 -","4","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.051","0.027","","0.03","","0.027","","","0.962","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013902","15.673","0.002","26.344","0.003","22.802","0.002","90","","100.819","0.002","90","","9247.4","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H110 O5 P4 Ru2 -","- C106 H110 O5 P4 Ru2 -","- C424 H440 O20 P16 Ru8 -","4","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.138","0.061","","0.069","","0.062","","","1.231","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013903","9.434","0.002","18.936","0.004","15.324","0.004","90","","106.405","0.004","90","","2626.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C66 H58 P4 Ru2 -","- C66 H58 P4 Ru2 -","- C132 H116 P8 Ru4 -","2","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71073","MoKα","","0.057","0.048","","0.057","","0.055","","","1.145","","","1.187","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013904","10.4576","0.0006","14.5424","0.0006","15.4074","0.0006","70.85","0.002","76.356","0.002","78.567","0.002","2132.29","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Fe P2 Si -","- C50 H56 Fe P2 Si -","- C100 H112 Fe2 P4 Si2 -","2","1","","Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.","Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1601","1609","10.1039/b316297b","","","0.71069","MoKα","","0.0822","0.0588","","","0.1491","0.1678","","","","","","1.039","","","","has coordinates,has disorder","179843","2020-10-21","18:00:00",""
"7013905","7.4619","0.0003","9.4354","0.0003","16.1153","0.0005","97.941","0.002","92.761","0.002","98.723","0.002","1107.96","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Manganese(ii)-di-chloro-2-((bis(pyridin-2- ylmethyl)amino)methyl)-4-nitrophenol","Manganese(II)-di-chloro-2-((bis(pyridin-2-ylmethyl)amino)methyl)-4-nitrophenol","","- C20 H22 Cl2 Mn N4 O4 -","- C20 H22 Cl2 Mn N4 O4 -","- C40 H44 Cl4 Mn2 N8 O8 -","2","1","","Reddig, Nicole; Pursche, Daniel; Rompel, Annette","Unique example of flexible phenol coordination in mononuclear manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1474","1480","10.1039/b316305a","","","0.71073","MoKα","","0.069","0.0569","","","0.148","0.1539","","","","","","1.009","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013906","20.623","0.004","7.902","0.002","12.378","0.002","90","","98.7","0.03","90","","1993.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Manganese(iii)-di-chloro-2-((bis(pyridin-2- ylmethyl)amino)methyl)-4-nitrophenol","Manganese(III)-di-chloro-2-((bis(pyridin-2-ylmethyl)amino)methyl)-4-nitrophenol","","- C19 H17 Cl2 Mn N4 O3 -","- C19 H17 Cl2 Mn N4 O3 -","- C76 H68 Cl8 Mn4 N16 O12 -","4","1","","Reddig, Nicole; Pursche, Daniel; Rompel, Annette","Unique example of flexible phenol coordination in mononuclear manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1474","1480","10.1039/b316305a","","","1.54178","CuKα","","0.0672","0.0583","","","0.1498","0.1546","","","","","","0.998","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013907","12.4866","0.0003","13.9788","0.0004","14.9053","0.0004","90","","90","","90","","2601.69","0.12","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Manganese(iii)-tetrachlorocatechol-2-((bis(pyridin-2- ylmethyl)amino)methyl) -4-nitrophenol","Manganese(III)-tetrachlorocatechol-2-((bis(pyridin-2-ylmethyl)amino)methyl) -4-nitrophenol","","- C25 H17 Cl4 Mn N4 O5 -","- C25 H17 Cl4 Mn N4 O5 -","- C100 H68 Cl16 Mn4 N16 O20 -","4","1","","Reddig, Nicole; Pursche, Daniel; Rompel, Annette","Unique example of flexible phenol coordination in mononuclear manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1474","1480","10.1039/b316305a","","","1.54178","CuKα","","0.0645","0.0587","","","0.1439","0.1468","","","","","","0.998","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013908","15.715","0.0007","9.1986","0.0004","17.272","0.0007","90","","99.04","0.003","90","","2465.76","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Manganese(ii)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2- pyridylmethyl) aminomethyl)-4-nitrophenolat)","Manganese(II)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2-pyridylmethyl) aminomethyl)-4-nitrophenolat)","","- C22 H26 Cl2 Mn N4 O4 -","- C22 H26 Cl2 Mn N4 O4 -","- C88 H104 Cl8 Mn4 N16 O16 -","4","1","","Reddig, Nicole; Pursche, Daniel; Rompel, Annette","Unique example of flexible phenol coordination in mononuclear manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1474","1480","10.1039/b316305a","","","1.54184","CuKα","","0.0968","0.0751","","","0.1879","0.2005","","","","","","0.97","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013909","19.3575","0.0003","13.1371","0.0002","17.3527","0.0003","90","","96.134","0.001","90","","4387.55","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Manganese(ii)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2- pyridylmethyl) aminomethyl)-phenolat)","Manganese(II)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2-pyridylmethyl) aminomethyl)-phenolat)","","- C21 H24.5 Cl2 Mn N3 O2 -","- C21 H24.5 Cl2 Mn N3 O2 -","- C168 H196 Cl16 Mn8 N24 O16 -","8","2","","Reddig, Nicole; Pursche, Daniel; Rompel, Annette","Unique example of flexible phenol coordination in mononuclear manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1474","1480","10.1039/b316305a","","","1.54184","CuKα","","0.0484","0.0434","","","0.1141","0.1167","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013910","13.523","0.003","17.092","0.003","18.23","0.004","90","","90","","90","","4213.6","1.5","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Manganese(ii)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2- pyridylmethyl) aminomethyl)-4-bromophenolat)","Manganese(II)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2-pyridylmethyl) aminomethyl)-4-bromophenolat)","","- C19 H18 Br3 Mn N3 O -","- C19 H18 Br3 Mn N3 O -","- C152 H144 Br24 Mn8 N24 O8 -","8","1","","Reddig, Nicole; Pursche, Daniel; Rompel, Annette","Unique example of flexible phenol coordination in mononuclear manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1474","1480","10.1039/b316305a","","","0.71073","MoKα","","0.1201","0.0672","","","0.134","0.1669","","","","","","1.059","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013911","13.147","0.004","10.163","0.003","16.844","0.005","90","","105.095","0.005","90","","2172.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cd N2 O9 S2 -","- C16 H18 Cd N2 O9 S2 -","- C64 H72 Cd4 N8 O36 S8 -","4","1","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua","Novel Cd(II) coordination polymers with flexible disulfoxide ligands: effects of ligand spacers, terminal groups and counter anions on the complex framework formations.","Dalton transactions (Cambridge, England : 2003)","2004","","5","813","819","10.1039/b316441a","","","0.71073","MoKα","","0.0656","0.0408","","","0.0909","0.1003","","","","","","0.963","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013912","10.177","0.002","18.796","0.004","17.661","0.004","90","","99.7","0.03","90","","3330","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd(besb)(NO3)2","","","- C16 H36 Cd2 N4 O16 S4 -","- C16 H36 Cd2 N4 O16 S4 -","- C64 H144 Cd8 N16 O64 S16 -","4","1","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua","Novel Cd(II) coordination polymers with flexible disulfoxide ligands: effects of ligand spacers, terminal groups and counter anions on the complex framework formations.","Dalton transactions (Cambridge, England : 2003)","2004","","5","813","819","10.1039/b316441a","","","0.71073","MoKα","","0.1261","0.0576","","","0.098","0.1161","","","","","","1.008","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013913","14.03","0.005","9.517","0.004","20.476","0.008","90","","108.79","0.006","90","","2588.3","1.8","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C45 H48 Cd Cl2 N0 O14 S6 -","- C45 H47 Cd Cl2 O14.02 S6 -","- C90 H94 Cd2 Cl4 O28.04 S12 -","2","0.5","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua","Novel Cd(II) coordination polymers with flexible disulfoxide ligands: effects of ligand spacers, terminal groups and counter anions on the complex framework formations.","Dalton transactions (Cambridge, England : 2003)","2004","","5","813","819","10.1039/b316441a","","","0.71073","MoKα","","0.0566","0.0384","","","0.1011","0.1102","","","","","","1.037","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013914","10.636","0.002","10.636","0.002","17.934","0.007","90","","90","","120","","1757","0.8","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C49 H55 Cd Cl5 O14 S6 -","- C49 H55 Cd Cl5 O14 S6 -","- C49 H55 Cd Cl5 O14 S6 -","1","0.166667","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua","Novel Cd(II) coordination polymers with flexible disulfoxide ligands: effects of ligand spacers, terminal groups and counter anions on the complex framework formations.","Dalton transactions (Cambridge, England : 2003)","2004","","5","813","819","10.1039/b316441a","","","0.71073","MoKα","","0.0955","0.0917","","","0.2312","0.2329","","","","","","1.139","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013915","10.313","0.003","10.313","0.003","67.52","0.04","90","","90","","120","","6219","4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H54 Cd Cl2 O14 S6 -","- C24 H54 Cd Cl2 O14 S6 -","- C144 H324 Cd6 Cl12 O84 S36 -","6","0.166667","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua","Novel Cd(II) coordination polymers with flexible disulfoxide ligands: effects of ligand spacers, terminal groups and counter anions on the complex framework formations.","Dalton transactions (Cambridge, England : 2003)","2004","","5","813","819","10.1039/b316441a","","","0.71073","MoKα","","0.1106","0.063","","","0.1399","0.1646","","","","","","1.054","","","","has coordinates,has disorder","179843","2020-10-21","18:00:00",""
"7013916","8.6625","0.0006","10.4771","0.0008","11.73","0.0008","100.856","0.002","91.948","0.002","84.965","0.002","1041.34","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Au2 Br2 N8 O2 -","- C44 H44 Au2 Br2 N8 O2 -","- C44 H44 Au2 Br2 N8 O2 -","1","0.5","","Maspoch, D.; Ruiz-Molina, D; Wurst, K.; Vidal-Gancedo, J; Rovira, C.; Veciana, J.","Synthesis, structural and magnetic properties of a series of copper(II) complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1073","1082","10.1039/b316458f","","","0.71073","MoKα","","0.053","0.042","","0.056","","0.053","","","1.023","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013917","14.584","0.001","12.3369","0.0009","24.899","0.002","90","","90","","90","","4479.9","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H46 Au2 Br2 N10 -","- C48 H46 Au2 Br2 N10 -","- C192 H184 Au8 Br8 N40 -","4","1","","Maspoch, D.; Ruiz-Molina, D; Wurst, K.; Vidal-Gancedo, J; Rovira, C.; Veciana, J.","Synthesis, structural and magnetic properties of a series of copper(II) complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1073","1082","10.1039/b316458f","","","0.71073","MoKα","","0.05","0.032","","0.031","","0.029","","","0.957","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013918","8.515","0.001","11.008","0.002","11.847","0.002","97.12","0.003","102.365","0.003","97.137","0.003","1063.2","0.3","150","","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Au2 Br2 N12 O2 -","- C40 H40 Au2 Br2 N12 O2 -","- C40 H40 Au2 Br2 N12 O2 -","1","0.5","","Maspoch, D.; Ruiz-Molina, D; Wurst, K.; Vidal-Gancedo, J; Rovira, C.; Veciana, J.","Synthesis, structural and magnetic properties of a series of copper(II) complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1073","1082","10.1039/b316458f","","","0.71073","MoKα","","0.039","0.032","","0.042","","0.04","","","0.995","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013919","11.6088","0.0006","8.4127","0.0005","19.993","0.001","90","","101.004","0.001","90","","1916.64","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Au2 Br2 N8 O4 -","- C32 H44 Au2 Br2 N8 O4 -","- C64 H88 Au4 Br4 N16 O8 -","2","0.5","","Maspoch, D.; Ruiz-Molina, D; Wurst, K.; Vidal-Gancedo, J; Rovira, C.; Veciana, J.","Synthesis, structural and magnetic properties of a series of copper(II) complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1073","1082","10.1039/b316458f","","","0.71073","MoKα","","0.071","0.044","","0.068","","0.062","","","0.987","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013920","8.207","0.001","10.887","0.001","11.233","0.001","113.735","0.003","102.869","0.003","100.632","0.003","852.38","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Au2 Br2 N10 -","- C30 H34 Au2 Br2 N10 -","- C30 H34 Au2 Br2 N10 -","1","0.5","","Maspoch, D.; Ruiz-Molina, D; Wurst, K.; Vidal-Gancedo, J; Rovira, C.; Veciana, J.","Synthesis, structural and magnetic properties of a series of copper(II) complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1073","1082","10.1039/b316458f","","","0.71073","MoKα","","0.089","0.053","","0.063","","0.058","","","1.066","","","1.183","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013921","7.776","0.001","12.487","0.002","13.911","0.002","69.544","0.003","81.978","0.003","88.246","0.003","1252.9","0.3","293","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Au2 I2 N8 -","- C18 H24 Au2 I2 N8 -","- C36 H48 Au4 I4 N16 -","2","1","","Maspoch, D.; Ruiz-Molina, D; Wurst, K.; Vidal-Gancedo, J; Rovira, C.; Veciana, J.","Synthesis, structural and magnetic properties of a series of copper(II) complexes containing a monocarboxylated perchlorotriphenylmethyl radical as a coordinating open-shell ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1073","1082","10.1039/b316458f","","","0.71073","MoKα","","0.106","0.049","","0.055","","0.047","","","1.035","","","1.161","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013922","16.0226","0.0014","11.1521","0.0009","18.2407","0.0016","90","","97.448","0.002","90","","3231.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 B2 -","- C42 H40 B2 -","- C168 H160 B8 -","4","1","","Hoefelmeyer, James D.; Solé, Stéphane; Gabbaï, François P","Reactivity of the dimesityl-1,8-naphthalenediylborate anion: isolation of the borataalkene isomer and synthesis of 1,8-diborylnaphthalenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1254","1258","10.1039/b316505a","","","0.71073","MoKα","","0.175","0.0791","","","0.1841","0.2132","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013923","18.007","0.002","14.3779","0.0019","16.731","0.002","90","","97.703","0.003","90","","4292.6","0.9","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H68 B Li N4 -","- C47 H68 B Li N4 -","- C188 H272 B4 Li4 N16 -","4","1","","Hoefelmeyer, James D.; Solé, Stéphane; Gabbaï, François P","Reactivity of the dimesityl-1,8-naphthalenediylborate anion: isolation of the borataalkene isomer and synthesis of 1,8-diborylnaphthalenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1254","1258","10.1039/b316505a","","","0.71073","MoKα","","0.0917","0.0541","","","0.1245","0.1394","","","","","","0.989","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013924","15.8947","0.0014","10.8667","0.001","17.9558","0.0016","90","","101.358","0.002","90","","3040.6","0.5","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 B2 -","- C40 H36 B2 -","- C160 H144 B8 -","4","1","","Hoefelmeyer, James D.; Solé, Stéphane; Gabbaï, François P","Reactivity of the dimesityl-1,8-naphthalenediylborate anion: isolation of the borataalkene isomer and synthesis of 1,8-diborylnaphthalenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1254","1258","10.1039/b316505a","","","0.71073","MoKα","","0.082","0.0642","","","0.1843","0.2126","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013925","21.9952","0.0019","8.0123","0.0007","12.4897","0.0011","90","","90","","90","","2201.1","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H29 B -","- C28 H29 B -","- C112 H116 B4 -","4","1","","Hoefelmeyer, James D.; Solé, Stéphane; Gabbaï, François P","Reactivity of the dimesityl-1,8-naphthalenediylborate anion: isolation of the borataalkene isomer and synthesis of 1,8-diborylnaphthalenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1254","1258","10.1039/b316505a","","","0.71073","MoKα","","0.0877","0.0584","","","0.1353","0.1472","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013926","12.7236","0.001","14.925","0.0011","22.1202","0.0017","90","","97.379","0.002","90","","4165.8","0.6","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H29.5 Cl3 Cu3 N10 O8.25 -","- C39 H29 Cl3 Cu3 N10 O8.25 -","- C156 H116 Cl12 Cu12 N40 O33 -","4","1","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.0697","0.0356","","","0.0688","0.0772","","","","","","0.853","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013927","10.9969","0.0014","18.98","0.003","20.125","0.003","101.014","0.002","101.375","0.002","99.055","0.002","3958.2","1","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29.5 Cu3 N15.5 O8.5 -","- C37 H28.5 Cu3 N15.5 O8.5 -","- C148 H114 Cu12 N62 O34 -","4","2","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.1831","0.0952","","","0.1685","0.2044","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013928","18.777","0.005","12.749","0.003","6.8213","0.0017","90","","90","","90","","1632.9","0.7","125","2","125","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H14 Cu N4 O2 -","- C19 H13 Cu N4 O2 -","- C76 H52 Cu4 N16 O8 -","4","0.5","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.0639","0.0365","","","0.076","0.0832","","","","","","0.969","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013929","18.377","0.004","8.9474","0.0015","19.422","0.003","90","","93.094","0.005","90","","3188.8","1","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cu2 N10 O8 -","- C34 H30 Cu2 N10 O8 -","- C136 H120 Cu8 N40 O32 -","4","0.5","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.0611","0.0496","","","0.1248","0.1325","","","","","","1.049","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013930","12.741","0.003","13.793","0.003","20.585","0.004","93.395","0.004","92.971","0.004","107.026","0.003","3443.8","1.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H54 Cu4 N20 O13 -","- C70 H50 Cu4 N20 O13 -","- C140 H100 Cu8 N40 O26 -","2","1","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.1385","0.1286","","","0.3225","0.3279","","","","","","1.046","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013931","9.14","0.003","9.5051","0.0011","13.026","0.005","81.99","0.06","81.5","0.07","63.11","0.05","994.8","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N5 O3 -","- C21 H23 N5 O3 -","- C42 H46 N10 O6 -","2","1","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","1.54178","CuKα","","0.0868","0.0556","","","0.1349","0.1492","","","","","","0.959","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013932","24.893","0.005","9.1295","0.0018","16.445","0.003","90","","115.623","0.003","90","","3369.8","1.1","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 N4 O2 -","- C19 H15 N4 O2 -","- C152 H120 N32 O16 -","8","1","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.0499","0.0362","","","0.0912","0.0977","","","","","","1.024","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013933","3.8239","0.0004","16.5567","0.0017","24.639","0.003","90","","90","","90","","1559.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N5 O3 -","- C17 H15 N5 O3 -","- C68 H60 N20 O12 -","4","1","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.1898","0.0687","","","0.1269","0.1707","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013934","16.362","0.001","14.3991","0.0009","14.4267","0.0009","90","","91.266","0.001","90","","3398.1","0.4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C152 H136 N40 O16 -","8","1","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.0401","0.0318","","","0.084","0.0889","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013935","7.4282","0.0016","9.916","0.002","12.27","0.003","101.786","0.004","99.434","0.004","95.531","0.004","864.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N2 Ni O5 -","- C16 H24 N2 Ni O5 -","- C32 H48 N4 Ni2 O10 -","2","1","","Phan, Nam T. S.; Brown, David H.; Adams, Harry; Spey, Sharon E.; Styring, Peter","Solid-supported cross-coupling catalysts derived from homogeneous nickel and palladium coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1348","1357","10.1039/b316553c","","","0.71073","MoKα","","0.065","0.0607","","","0.1678","0.1729","","","","","","1.044","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013936","10.2935","0.001","10.432","0.001","14.1939","0.0014","90","","90.984","0.002","90","","1523.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O4 Pd -","- C15 H20 N2 O4 Pd -","- C60 H80 N8 O16 Pd4 -","4","1","","Phan, Nam T. S.; Brown, David H.; Adams, Harry; Spey, Sharon E.; Styring, Peter","Solid-supported cross-coupling catalysts derived from homogeneous nickel and palladium coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1348","1357","10.1039/b316553c","","","0.71073","MoKα","","0.0388","0.0293","","","0.0731","0.0767","","","","","","1.061","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013937","10.642","0.002","12.513","0.003","16.088","0.003","102.805","0.003","95.572","0.003","109.845","0.003","1930","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(Calcium, Strontium) Nitridomolybdate (VI) Nitride Oxide","(Calcium, Strontium) Nitridomolybdate (VI) Nitride Oxide","","- Ca37.6 Mo12 N56 O3 Sr13.4 -","- Ca37.6 Mo12 N56 O3 Sr13.4 -","- Ca37.6 Mo12 N56 O3 Sr13.4 -","1","0.5","","Baker, Charles F.; Barker, Marten G.; Wilson, Claire; Gregory, Duncan H.","New mixed alkaline-earth nitridomolybdate(VI) nitride oxides with anion-ordered sub-structures.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1298","1303","10.1039/b316558b","","","0.71073","MoKα","","0.0476","0.0345","","","0.077","0.0801","","","","","","0.98","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013938","10.633","0.005","12.503","0.005","16.08","0.005","102.792","0.005","95.658","0.005","109.839","0.005","1925.5","1.3","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(Calcium, Strontium) Nitridomolybdate (VI) Nitride Oxide","(Calcium, Strontium) Nitridomolybdate (VI) Nitride Oxide","","- Ca35.91 Mo12 N56 O3 Sr15.09 -","- Ca35.912 Mo12 N56 O3 Sr15.088 -","- Ca35.912 Mo12 N56 O3 Sr15.088 -","1","0.5","","Baker, Charles F.; Barker, Marten G.; Wilson, Claire; Gregory, Duncan H.","New mixed alkaline-earth nitridomolybdate(VI) nitride oxides with anion-ordered sub-structures.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1298","1303","10.1039/b316558b","","","0.71069","MoKα","","0.1138","0.0597","","","0.1257","0.1428","","","","","","0.931","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013939","17.7304","0.0019","17.7304","0.0019","12.6008","0.0011","90","","90","","90","","3961.3","0.7","223","2","223","2","","","","","","","","6","I 41 m d","I 4bw -2","109","Copper(i) Bromide 2:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline, dichloromethane solvate","Copper(I) Bromide 2:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, dichloromethane solvate","","- C13 H14 Br2 Cl2 Cu2 N4 -","- C14.5 H12 Br2 Cu2 N4 -","- C116 H96 Br16 Cu16 N32 -","8","0.5","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0898","0.0563","","","0.1447","0.1563","","","","","","1.046","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013940","12.3176","0.0011","12.3176","0.0011","12.772","0.002","90","","90","","90","","1937.8","0.4","223","2","223","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","Copper(i) Bromide 2:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline","Copper(I) Bromide 2:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline","","- C12 H12 Br2 Cu2 N4 -","- C12 Br2 Cu2 N4 -","- C48 Br8 Cu8 N16 -","4","0.25","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0303","0.03","","","0.0794","0.0795","","","","","","1.165","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013941","12.3475","0.001","12.3475","0.001","13.2122","0.0012","90","","90","","90","","2014.3","0.3","223","2","223","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","Copper(i) Iodide 2:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline","Copper(I) Iodide 2:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline","","- C12 H12 Cu2 I2 N4 -","- C12 Cu2 I2 N4 -","- C48 Cu8 I8 N16 -","4","0.25","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0272","0.0269","","","0.0698","0.0699","","","","","","1.14","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013942","17.614","0.002","17.614","0.002","13.136","0.002","90","","90","","90","","4075.5","0.9","223","2","223","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","Copper(i) Iodide 2:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline, chloroform solvate","Copper(I) Iodide 2:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, chloroform solvate","","- C13 H13 Cl3 Cu2 I2 N4 -","- C13 H12 Cl3 Cu2 I2 N4 -","- C104 H96 Cl24 Cu16 I16 N32 -","8","0.25","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0623","0.0533","","","0.1028","0.1059","","","","","","1.265","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013943","20.463","0.002","20.463","0.002","17.989","0.002","90","","90","","120","","6523.4","1.2","223","2","223","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","Copper(i) Iodide 3:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline, acetonitrile solvate","Copper(I) Iodide 3:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, acetonitrile solvate","","- C80 H84 Cu18 I18 N28 -","- C77 H72 Cu18 I18 N28 -","- C154 H144 Cu36 I36 N56 -","2","0.0833333","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0469","0.0434","","","0.102","0.1035","","","","","","1.178","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013944","26.1899","0.0014","26.1899","0.0014","9.6096","0.001","90","","90","","120","","5708.3","0.7","223","2","223","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","Copper(i) Iodide 2:1 Complex with 2,2,7,7-Tetramethyl- 1,2,3,6,7,8-Hexahydro-cinnolino(5,4,3-cde)cinnoline, dichloromethane solvate","Copper(I) Iodide 2:1 Complex with 2,2,7,7-Tetramethyl-1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, dichloromethane solvate","","- C17 H22 Cl2 Cu2 I2 N4 -","- C17 Cl2 Cu2 I2 N4 -","- C153 Cl18 Cu18 I18 N36 -","9","0.25","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0647","0.0618","","","0.1494","0.1512","","","","","","1.221","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013945","24.063","0.003","13.5575","0.0016","6.8122","0.0008","90","","90","","90","","2222.4","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Copper(i) Iodide 2:1 Complex with 2,2,7,7-Tetramethyl- 1,2,3,6,7,8-Hexahydro-cinnolino(5,4,3-cde)cinnoline, acetonitrile solvate","Copper(I) Iodide 2:1 Complex with 2,2,7,7-Tetramethyl-1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, acetonitrile solvate","","- C18 H23 Cu2 I2 N5 -","- C18 H23 Cu2 I2 N5 -","- C72 H92 Cu8 I8 N20 -","4","0.5","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0264","0.0246","","","0.0583","0.0591","","","","","","1.172","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013946","7.6797","0.0009","7.7125","0.0009","11.3151","0.001","104.415","0.002","104.17","0.002","96.141","0.002","619.2","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","Copper(i) Bromide 4:1 Complex with 1,2,3,6,7,8-Hexahydro- cinnolino(5,4,3-cde)cinnoline, acetonitrile solvate","Copper(I) Bromide 4:1 Complex with 1,2,3,6,7,8-Hexahydro-cinnolino[5,4,3-cde]cinnoline, acetonitrile solvate","","- C16 H18 Cu4 I4 N6 -","- C16 H18 Cu4 I4 N6 -","- C16 H18 Cu4 I4 N6 -","1","0.5","","Solntsev, Pavlo V.; Sieler, Joachim; Krautscheid, Harald; Domasevitch, Konstantin V.","Fused pyridazines: rigid multidentates for designing and fine-tuning the structure of hybrid organic/inorganic frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1153","1158","10.1039/b316561b","","","0.71073","MoKα","","0.0506","0.0477","","","0.1327","0.1357","","","","","","1.084","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013947","16.9833","0.0007","15.8113","0.0004","13.6271","0.0005","90","","90","","90","","3659.3","0.2","193.1","","","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C24 H62 Li2 N4 S2 Si2 -","- C24 H54 Li2 N4 S2 Si2 -","- C96 H216 Li8 N16 S8 Si8 -","4","0.5","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.054","","","","0.168","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013948","12.856","0.007","10.124","0.005","21.322","0.01","90","","90","","90","","2775","2","223.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H46 Co N2 S2 Si2 -","- C18 H46 Co N2 S2 Si2 -","- C72 H184 Co4 N8 S8 Si8 -","4","0.5","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.057","","","","0.176","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013949","11.404","0.004","13.672","0.005","14.338","0.005","66.8","0.01","77.46","0.02","86.71","0.02","2004.7","1.3","153.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H60 Cu4 S4 Si4 -","- C24 H60 Cu4 S4 Si4 -","- C48 H120 Cu8 S8 Si8 -","2","1","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.046","","","","0.104","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013950","16.1375","0.0008","13.8649","0.0005","18.7887","0.0004","90","","105.195","0.0006","90","","4056.9","0.3","173.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 S2 Si2 Ti -","- C16 H28 S2 Si2 Ti -","- C128 H224 S16 Si16 Ti8 -","8","2","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.062","","","","0.14","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013951","15.473","0.007","14.607","0.007","11.582","0.005","90","","97.501","0.007","90","","2595","2","153.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 S2 Si2 Ti -","- C22 H40 S2 Si2 Ti -","- C88 H160 S8 Si8 Ti4 -","4","1","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.059","","","","0.166","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013952","10.309","0.006","27.5","0.02","13.133","0.008","90","","110.341","0.007","90","","3491","4","153.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Ni P2 S2 Si2 -","- C32 H42 Ni P2 S2 Si2 -","- C128 H168 Ni4 P8 S8 Si8 -","4","1","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.064","","","","0.105","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013953","10.802","0.002","26.287","0.004","14.132","0.002","90","","92.561","0.003","90","","4008.8","1.1","193.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Ni P2 S2 Si2 -","- C38 H54 Ni P2 S2 Si2 -","- C152 H216 Ni4 P8 S8 Si8 -","4","1","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.08","","","","0.226","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013954","11.898","0.005","18.473","0.008","14.368","0.006","90","","112.188","0.005","90","","2924","2","173.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cl Ni P2 S2 Ti -","- C31 H29 Cl Ni P2 S2 Ti -","- C124 H116 Cl4 Ni4 P8 S8 Ti4 -","4","1","","Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1618","1625","10.1039/b316567a","","","0.7107","MoKα","","","0.03","","","","0.069","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013955","16.2345","0.001","16.2345","0.001","8.6294","0.0003","90","","90","","120","","1969.65","0.18","173","2","173","2","","","","","","","synthesis as described","4","P 3 1 c","P 3 -2c","159","[Y{CH(SiMe3)2}3]'","","","- C21 H57 Si6 Y -","- C21 H57 Si6 Y -","- C42 H114 Si12 Y2 -","2","0.333333","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.71073","MoKα","","0.0582","0.0475","","","0.1144","0.1193","","","","","","1.102","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013956","16.3636","0.0008","16.3636","0.0008","8.595","0.0004","90","","90","","120","","1993.12","0.17","173","2","173","2","","","","","","","synthesis as described","4","P 3 1 c","P 3 -2c","159","[Ce{CH(SiMe3)2}3]","","","- C21 H57 Ce Si6 -","- C21 H57 Ce Si6 -","- C42 H114 Ce2 Si12 -","2","0.333333","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.7107","MoKα","","0.0509","0.0439","","","0.1142","0.1185","","","","","","1.052","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013957","11.8736","0.0002","18.942","0.0003","19.0835","0.0003","90","","106.618","0.001","90","","4112.8","0.12","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","[Y{CH(SiMe3)(SiMe2OMe)}3].Et2O","","","- C25 H67 O4 Si6 Y -","- C25 H67 O4 Si6 Y -","- C100 H268 O16 Si24 Y4 -","4","1","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.71073","MoKα","","0.0663","0.0433","","","0.0768","0.0839","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013958","15.9563","0.0003","15.9563","0.0003","9.6101","0.0002","90","","90","","120","","2118.96","0.07","173","2","173","2","","","","","","","synthesis as described","5","P 3 1 c","P 3 -2c","159","[Ce{CH(SiMe3)(SiMe2OMe)}3]","","","- C21 H57 Ce O3 Si6 -","- C21 H57 Ce O3 Si6 -","- C42 H114 Ce2 O6 Si12 -","2","0.333333","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.7107","MoKα","","0.0333","0.0292","","","0.0862","0.0885","","","","","","1.159","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013959","12.4967","0.0004","12.4967","0.0004","108.85","0.04","90","","90","","120","","14721","5","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","(Y(CH(SiMe3)2)3(NCtBu)2). 1/2(cyclohexane)","","","- C34 H81 N2 Si6 Y -","- C34 H81 N2 Si6 Y -","- C408 H972 N24 Si72 Y12 -","12","0.333333","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","","0.7107","MoKα","","0.0629","0.0418","","","0.0873","0.0939","","","","","","1.031","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013960","12.1618","0.0004","12.802","0.0004","27.1173","0.0009","79.606","0.002","84.609","0.002","80.598","0.002","4087.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[Ce{CH(SiMe3)2}3(NCPh)]","","","- C28 H62 Ce N Si6 -","- C28 H62 Ce N Si6 -","- C112 H248 Ce4 N4 Si24 -","4","2","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.71073","MoKα","","0.0818","0.0496","","","0.1141","0.1283","","","","","","1.015","","","","has coordinates,has disorder","179843","2020-10-21","18:00:00",""
"7013961","10.4609","0.0003","9.9181","0.0003","19.2816","0.0006","90","","93.388","0.001","90","","1997.01","0.1","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","[Me2SiNCPhCH(SiMe3)CPhN]","","","- C20 H26 N2 Si2 -","- C20 H26 N2 Si2 -","- C80 H104 N8 Si8 -","4","1","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.71073","MoKα","","0.0555","0.0441","","","0.0973","0.1025","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013962","16.184","0.002","9.244","0.002","25.873","0.004","90","","107.91","0.01","90","","3683.2","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H58 Br2 Mg2 O2 Si4 -","- C22 H58 Br2 Mg2 O2 Si4 -","- C88 H232 Br8 Mg8 O8 Si16 -","4","1","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","","0.71073","MoKα","","0.1151","0.0738","","0.2054","0.1761","","","","1.024","1.078","1.078","","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013963","9.676","0.004","16.62","0.008","17.173","0.003","90","","90","","90","","2761.7","1.8","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H48 Mg O Si4 -","- C18 H48 Mg O Si4 -","- C72 H192 Mg4 O4 Si16 -","4","0.5","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","","0.71073","MoKα","","0.0383","0.0347","","","0.0889","0.0904","","","","","","1.076","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013964","12.6286","0.0006","18.6283","0.0011","22.8848","0.0011","90","","93.537","0.003","90","","5373.4","0.5","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","[Ce{N(SiMe3)2}2{Me3SiNC(C6H4tBu)CHC(C6H4tBu)NSiMe3}]","","","- C41 H81 Ce N4 Si6 -","- C41 H81 Ce N4 Si6 -","- C164 H324 Ce4 N16 Si24 -","4","1","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.71073","MoKα","","0.0876","0.0541","","","0.1103","0.1218","","","","","","1.046","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013965","11.9825","0.0009","12.4284","0.001","15.9086","0.0015","94.607","0.004","94.084","0.005","90.114","0.004","2355.4","0.3","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[CeCl{Me3SiNC(Ph)CHC(Ph)NSiMe3}2]","","","- C42 H58 Ce Cl N4 Si4 -","- C42 H58 Ce Cl N4 Si4 -","- C84 H116 Ce2 Cl2 N8 Si8 -","2","1","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","x-ray","0.71073","MoKα","","0.1252","0.0689","","","0.107","0.1271","","","","","","1.01","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013966","8.141","0.002","8.625","0.001","15.837","0.002","96.83","0.01","98.26","0.02","112.93","0.01","994.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H23 F5 N2 O3 Pd S -","- C15 H23 F5 N2 O3 Pd S -","- C30 H46 F10 N4 O6 Pd2 S2 -","2","1","","Ruiz, José; Martínez, M Teresa; Florenciano, Félix; Rodríguez, Venancio; López, Gregorio; Pérez, José; Chaloner, Penny A.; Hitchcock, Peter B.","Insertion reactions of SO2 into Pd-OR bonds: preparation of alkyl sulfito complexes of palladium(II).","Dalton transactions (Cambridge, England : 2003)","2004","","6","929","932","10.1039/b316697j","","","0.71073","MoKα","","0.0336","0.028","","","0.0779","0.0835","","","","","","0.856","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013967","9.4428","0.0008","12.8854","0.0011","16.5058","0.0013","90","","90","","90","","2008.3","0.3","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H38 Si2 -","- C16 H38 Si2 -","- C64 H152 Si8 -","4","0.5","","Hinchley, Sarah L.; Robertson, Heather E.; Parkin, Andrew; Rankin, David W. H.; Tekautz, Günther; Hassler, Karl","Molecular structure of 1,1,2,2-tetra-tert-butyldisilane: unusual structural motifs in sterically crowded disilanes.","Dalton transactions (Cambridge, England : 2003)","2004","","5","759","766","10.1039/b316701a","","","0.71073","MoKα","","0.0815","0.0646","","","0.152","0.1616","","","","","","1.079","","","","has coordinates,has disorder","179843","2020-10-21","18:00:00",""
"7013968","8.6625","0.0006","10.4771","0.0008","11.73","0.0008","100.856","0.002","91.948","0.002","84.965","0.002","1041.34","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Au2 Br2 N8 O2 -","- C44 H44 Au2 Br2 N8 O2 -","- C44 H44 Au2 Br2 N8 O2 -","1","0.5","","Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H.","Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1038","1047","10.1039/b316804b","","","0.71073","MoKα","","0.053","0.042","","0.056","","0.053","","","1.023","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013969","14.584","0.001","12.3369","0.0009","24.899","0.002","90","","90","","90","","4479.9","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H46 Au2 Br2 N10 -","- C48 H46 Au2 Br2 N10 -","- C192 H184 Au8 Br8 N40 -","4","1","","Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H.","Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1038","1047","10.1039/b316804b","","","0.71073","MoKα","","0.05","0.032","","0.031","","0.029","","","0.957","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013970","8.515","0.001","11.008","0.002","11.847","0.002","97.12","0.003","102.365","0.003","97.137","0.003","1063.2","0.3","150","","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Au2 Br2 N12 O2 -","- C40 H40 Au2 Br2 N12 O2 -","- C40 H40 Au2 Br2 N12 O2 -","1","0.5","","Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H.","Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1038","1047","10.1039/b316804b","","","0.71073","MoKα","","0.039","0.032","","0.042","","0.04","","","0.995","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013971","11.6088","0.0006","8.4127","0.0005","19.993","0.001","90","","101.004","0.001","90","","1916.64","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Au2 Br2 N8 O4 -","- C32 H44 Au2 Br2 N8 O4 -","- C64 H88 Au4 Br4 N16 O8 -","2","0.5","","Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H.","Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1038","1047","10.1039/b316804b","","","0.71073","MoKα","","0.071","0.044","","0.068","","0.062","","","0.987","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013972","8.207","0.001","10.887","0.001","11.233","0.001","113.735","0.003","102.869","0.003","100.632","0.003","852.38","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Au2 Br2 N10 -","- C30 H34 Au2 Br2 N10 -","- C30 H34 Au2 Br2 N10 -","1","0.5","","Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H.","Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1038","1047","10.1039/b316804b","","","0.71073","MoKα","","0.089","0.053","","0.063","","0.058","","","1.066","","","1.183","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013973","7.776","0.001","12.487","0.002","13.911","0.002","69.544","0.003","81.978","0.003","88.246","0.003","1252.9","0.3","293","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Au2 I2 N8 -","- C18 H24 Au2 I2 N8 -","- C36 H48 Au4 I4 N16 -","2","1","","Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H.","Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1038","1047","10.1039/b316804b","","","0.71073","MoKα","","0.106","0.049","","0.055","","0.047","","","1.035","","","1.161","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013974","21.075","0.004","21.075","0.004","21.075","0.004","90","","90","","90","","9361","3","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C51 H52 B Cu N6 P2 -","- C51 H52 B Cu N6 P2 -","- C408 H416 B8 Cu8 N48 P16 -","8","0.333333","","Gioia Lobbia, Giancarlo; Hanna, John V.; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.","Gold derivatives of scorpionates: comparison with the other coinage metal poly(pyrazolyl)borate analogues.","Dalton transactions (Cambridge, England : 2003)","2004","","6","951","958","10.1039/b316815h","","","0.71073","MoKα","","0.168","0.097","","0.198","","0.158","","","1.039","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013975","21.603","0.002","21.603","0.002","21.603","0.002","90","","90","","90","","10081.9","1.6","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C33 H37 Au B N6 P -","- C33 H37 Au B N6 P -","- C396 H444 Au12 B12 N72 P12 -","12","1","","Gioia Lobbia, Giancarlo; Hanna, John V.; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.","Gold derivatives of scorpionates: comparison with the other coinage metal poly(pyrazolyl)borate analogues.","Dalton transactions (Cambridge, England : 2003)","2004","","6","951","958","10.1039/b316815h","","","0.71073","MoKα","","0.096","0.047","","0.023","","0.02","","","1.54","","","1.261","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013976","10.878","0.001","19.29","0.003","19.464","0.003","61.793","0.002","75.916","0.002","84.23","0.002","3490.5","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Ag B N7 P -","- C35 H40 Ag B N7 P -","- C140 H160 Ag4 B4 N28 P4 -","4","2","","Gioia Lobbia, Giancarlo; Hanna, John V.; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.","Gold derivatives of scorpionates: comparison with the other coinage metal poly(pyrazolyl)borate analogues.","Dalton transactions (Cambridge, England : 2003)","2004","","6","951","958","10.1039/b316815h","","","0.71073","MoKα","","0.043","0.033","","0.049","","0.046","","","1.028","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7013977","9.1886","0.003","9.5011","0.0021","10.1192","0.0028","99.16","0.02","109.48","0.02","105.28","0.02","773.2","0.4","298","","298","","","","","","","","","3","P -1","-P 1","2","","2-benzoylpyridine-N-methyl-N-phenylhydrazone","","- C19 H17 N3 -","- C19 H17 N3 -","- C38 H34 N6 -","2","1","","Ghedini, Mauro; Aiello, Iolinda; Crispini, Alessandra; La Deda, Massimo","Synthesis and solid state characterisation of mononuclear 2-benzoylpyridine N-methyl-N-phenylhydrazone palladium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1386","1392","10.1039/b316843c","","","0.71073","MoKα","","0.0634","0.0411","","","0.1095","0.1176","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013978","12.1163","0.0025","11.7281","0.0028","12.7549","0.0034","90","","111.44","0.02","90","","1687.1","0.7","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-benzoylpyridine-N-methyl-N-phenylhydrazonepalladium(II) chloride","","- C19 H16 Cl N3 Pd -","- C19 H16 Cl N3 Pd -","- C76 H64 Cl4 N12 Pd4 -","4","1","","Ghedini, Mauro; Aiello, Iolinda; Crispini, Alessandra; La Deda, Massimo","Synthesis and solid state characterisation of mononuclear 2-benzoylpyridine N-methyl-N-phenylhydrazone palladium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1386","1392","10.1039/b316843c","","","0.71073","MoKα","","0.0589","0.0411","","","0.0996","0.1044","","","","","","0.904","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013979","11.057","0.0021","9.0279","0.0022","21.7588","0.0061","90","","103.7","0.02","90","","2110.2","0.9","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-benzoylpyridine-N-methyl-N-phenylhydrazonepalladium(II) bromide","","- C20 H17 Br Cl3 N3 Pd -","- C20 H17 Br Cl3 N3 Pd -","- C80 H68 Br4 Cl12 N12 Pd4 -","4","1","","Ghedini, Mauro; Aiello, Iolinda; Crispini, Alessandra; La Deda, Massimo","Synthesis and solid state characterisation of mononuclear 2-benzoylpyridine N-methyl-N-phenylhydrazone palladium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1386","1392","10.1039/b316843c","","","0.71073","MoKα","","0.0813","0.0559","","","0.134","0.1457","","","","","","0.936","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013980","9.0814","0.002","16.5373","0.004","14.7199","0.0047","90","","95.2","0.02","90","","2201.6","1","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-benzoylpyridine-N-methyl-N-phenylhydrazonepalladium(II) bromide","","- C20 H17 Cl3 I N3 Pd -","- C20 H17 Cl3 I N3 Pd -","- C80 H68 Cl12 I4 N12 Pd4 -","4","1","","Ghedini, Mauro; Aiello, Iolinda; Crispini, Alessandra; La Deda, Massimo","Synthesis and solid state characterisation of mononuclear 2-benzoylpyridine N-methyl-N-phenylhydrazone palladium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1386","1392","10.1039/b316843c","","","0.71073","MoKα","","0.0592","0.0353","","","0.0756","0.0807","","","","","","0.871","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013981","7.9971","0.0001","15.5057","0.0003","15.0008","0.0003","90","","102.46","0.001","90","","1816.3","0.06","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 P Zr -","- C17 H31 P Zr -","- C68 H124 P4 Zr4 -","4","1","","Harvey, Benjamin G.; Basta, Rehan; Arif, Atta M.; Ernst, Richard D.","Syntheses and structural systematics of trialkylphosphine complexes of open titanocenes, zirconocenes and hafnocenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1221","1226","10.1039/b316911a","","","0.71073","MoKα","","0.0278","0.0226","","","0.0507","0.0531","","","","","","1.04","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013982","7.9542","0.0001","15.4479","0.0003","15","0.0003","90","","102.356","0.0012","90","","1800.45","0.06","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Hf P -","- C17 H31 Hf P -","- C68 H124 Hf4 P4 -","4","1","","Harvey, Benjamin G.; Basta, Rehan; Arif, Atta M.; Ernst, Richard D.","Syntheses and structural systematics of trialkylphosphine complexes of open titanocenes, zirconocenes and hafnocenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1221","1226","10.1039/b316911a","","","0.71073","MoKα","","0.0254","0.0207","","","0.0451","0.047","","","","","","1.052","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013983","7.7597","0.0003","8.7193","0.0005","15.3947","0.0009","87.728","0.002","75.724","0.003","87.803","0.003","1008.19","0.09","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 P Ti -","- C20 H37 P Ti -","- C40 H74 P2 Ti2 -","2","1","","Harvey, Benjamin G.; Basta, Rehan; Arif, Atta M.; Ernst, Richard D.","Syntheses and structural systematics of trialkylphosphine complexes of open titanocenes, zirconocenes and hafnocenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1221","1226","10.1039/b316911a","","","0.71073","MoKα","","0.0779","0.0444","","","0.0836","0.0955","","","","","","1.038","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013984","7.8898","0.0003","8.6491","0.0003","15.5788","0.0003","88.1613","0.002","76.1834","0.0019","88.4466","0.0015","1031.59","0.06","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 Hf P -","- C20 H37 Hf P -","- C40 H74 Hf2 P2 -","2","1","","Harvey, Benjamin G.; Basta, Rehan; Arif, Atta M.; Ernst, Richard D.","Syntheses and structural systematics of trialkylphosphine complexes of open titanocenes, zirconocenes and hafnocenes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1221","1226","10.1039/b316911a","","","0.71073","MoKα","","0.0262","0.0235","","","0.0573","0.0589","","","","","","1.099","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013985","23.7035","0.0014","23.7035","0.0014","23.7035","0.0014","90","","90","","90","","13318","1.4","223","2","223","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","Copper(ii) Perchlorate 1:2 Complex with 1,2,3,6,7,8-hexahydro- cinnolino(5,4,3-cde)cinnoline, Chloroform solvate","Copper(II) Perchlorate 1:2 Complex with 1,2,3,6,7,8-hexahydro-cinnolino[5,4,3-cde]cinnoline, Chloroform solvate","","- C27 H27 Cl11 Cu N8 O8 -","- C27 H24 Cl10.8333 Cu N8 O7.33333 -","- C324 H288 Cl130 Cu12 N96 O88 -","12","0.25","","Solntsev, Pavlo V.; Sieler, Joachim; Chernega, Alexander N.; Howard, Judith A. K.; Gelbrich, Thomas; Domasevitch, Konstantin V.","Self-assembly sodalite-like framework.","Dalton transactions (Cambridge, England : 2003)","2004","","5","695","696","10.1039/b316981b","","","0.71073","MoKα","","0.1411","0.082","","0.2596","0.1678","","","","1.134","1.187","1.187","","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013986","23.5623","0.001","23.5623","0.001","23.5623","0.001","90","","90","","90","","13081.4","1","223","2","223","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","Copper(ii) Nitrate 1:2 Complex with 1,2,3,6,7,8-hexahydro- cinnolino(5,4,3-cde)cinnoline, Chloroform solvate","Copper(II) Nitrate 1:2 Complex with 1,2,3,6,7,8-hexahydro-cinnolino[5,4,3-cde]cinnoline, Chloroform solvate","","- C27 H27 Cl9 Cu N10 O6 -","- C26.5 H24 Cl7.5 Cu N8.66667 O2 -","- C318 H288 Cl90 Cu12 N104 O24 -","12","0.25","","Solntsev, Pavlo V.; Sieler, Joachim; Chernega, Alexander N.; Howard, Judith A. K.; Gelbrich, Thomas; Domasevitch, Konstantin V.","Self-assembly sodalite-like framework.","Dalton transactions (Cambridge, England : 2003)","2004","","5","695","696","10.1039/b316981b","","","0.71073","MoKα","","0.111","0.0603","","0.2014","0.1351","","","","0.782","1.076","1.076","","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013987","12.2179","0.0011","12.2179","0.0011","11.7783","0.0014","90","","90","","90","","1758.2","0.3","223","2","223","2","","","","","","","","6","P 4/n :2","-P 4a","85","Copper(ii) Perchlorate 1:2 Complex with 2,2,7,7-tetramethyl- 1,2,3,6,7,8-hexahydro-cinnolino(5,4,3-cde)cinnoline","Copper(II) Perchlorate 1:2 Complex with 2,2,7,7-tetramethyl-1,2,3,6,7,8-hexahydro-cinnolino[5,4,3-cde]cinnoline","","- C32 H40 Cl2 Cu N8 O8 -","- C32 H40 Cl2 Cu N8 O8 -","- C64 H80 Cl4 Cu2 N16 O16 -","2","0.25","","Solntsev, Pavlo V.; Sieler, Joachim; Chernega, Alexander N.; Howard, Judith A. K.; Gelbrich, Thomas; Domasevitch, Konstantin V.","Self-assembly sodalite-like framework.","Dalton transactions (Cambridge, England : 2003)","2004","","5","695","696","10.1039/b316981b","","","0.71073","MoKα","","0.0608","0.0494","","0.1234","0.1181","","","","1.078","1.121","1.121","","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013988","8.4678","0.0001","10.0587","0.0002","11.1857","0.0002","96.489","0.001","94.082","0.001","105.554","0.001","906.83","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cr N2 O6 S -","- C14 H16 Cr N2 O6 S -","- C28 H32 Cr2 N4 O12 S2 -","2","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.049","0.0315","","","0.0734","0.0782","","","","","","1.058","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013989","16.1399","0.0002","21.9996","0.0002","23.6745","0.0003","90","","90","","90","","8406.14","0.17","173","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H14 Cl2 Cr4 N3 O18 S3 -","- C31 H14 Cl2 Cr4 N3 O18 S3 -","- C248 H112 Cl16 Cr32 N24 O144 S24 -","8","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.0659","0.0354","","","0.0692","0.0778","","","","","","1.02","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013990","16.268","0.0002","22.3369","0.0002","24.0479","0.0003","90","","90","","90","","8738.45","0.17","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H14 Cl2 Cr N3 O18 S3 W3 -","- C31 H14 Cl2 Cr N3 O18 S3 W3 -","- C248 H112 Cl16 Cr8 N24 O144 S24 W24 -","8","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.0308","0.0214","","","0.0425","0.0444","","","","","","1.112","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013991","16.2281","0.0002","22.0656","0.0003","23.7133","0.0004","90","","90","","90","","8491.3","0.2","203","2","203","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H14 Cl2 Cr3 Fe N3 O18 S3 -","- C31 H14 Cl2 Cr3 Fe N3 O18 S3 -","- C248 H112 Cl16 Cr24 Fe8 N24 O144 S24 -","8","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.1096","0.0568","","","0.1161","0.1354","","","","","","1.033","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013992","10.3226","0.0001","15.9568","0.0002","21.541","0.0003","90","","101.425","0.001","90","","3477.83","0.07","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 Cl2 Cr2 N3 O13 S3 V -","- C25 H15 Cl2 Cr2 N3 O13 S3 V -","- C100 H60 Cl8 Cr8 N12 O52 S12 V4 -","4","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.0535","0.0365","","","0.0791","0.0854","","","","","","1.056","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013993","9.3699","0.0002","16.4472","0.0003","11.603","0.0002","90","","104.613","0.001","90","","1730.28","0.06","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 Co Cr2 N3 O13 S3 -","- C28 H21 Co Cr2 N3 O13 S3 -","- C56 H42 Co2 Cr4 N6 O26 S6 -","2","0.5","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.054","0.0411","","","0.1064","0.1167","","","","","","1.039","","","","has coordinates,has disorder","179843","2020-10-21","18:00:00",""
"7013994","18.4809","0.0002","21.0681","0.0002","21.8035","0.0003","90","","90","","90","","8489.36","0.17","173","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H14 Cl2 Co Cr3 N3 O18 S3 -","- C31 H14 Cl2 Co Cr3 N3 O18 S3 -","- C248 H112 Cl16 Co8 Cr24 N24 O144 S24 -","8","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.0751","0.0504","","","0.122","0.1331","","","","","","1.054","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013995","9.1998","0.0001","10.1307","0.0001","10.8045","0.0001","68.041","0.001","68.52","0.001","81.515","0.001","868.997","0.017","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H18 Cr2 N4 Ni O12 S4 -","- C28 H18 Cr2 N4 Ni O12 S4 -","- C28 H18 Cr2 N4 Ni O12 S4 -","1","0.5","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.0426","0.0279","","","0.0637","0.0685","","","","","","1.029","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013996","13.4282","0.0003","11.1154","0.0003","14.7384","0.0003","90","","107.515","0.001","90","","2097.86","0.09","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cr N O6 S Ti -","- C20 H14 Cr N O6 S Ti -","- C80 H56 Cr4 N4 O24 S4 Ti4 -","4","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.0535","0.036","","","0.0877","0.0942","","","","","","1.044","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013997","12.051","0.002","28.238","0.003","16.433","0.003","90","","111.652","0.007","90","","5197.5","1.4","193.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C78 H148 N12 O10 P4 Sm2 -","- C78 H148 N12 O10 P4 Sm2 -","- C156 H296 N24 O20 P8 Sm4 -","2","0.5","","Deng, Mingyu; Yao, Yingming; Shen, Qi; Zhang, Yong; Sun, Jin","Novel lanthanide(II) complexes supported by carbon-bridged biphenolate ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2004","","6","944","950","10.1039/b317027f","","","0.7107","MoKα","","","0.055","","","","0.173","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013998","12.4386","0.0015","15.4095","0.0018","16.036","0.002","108.792","0.004","109.163","0.004","99.71","","2616","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H168 N6 O14 P2 Yb2 -","- C96 H166 N6 O14 P2 Yb2 -","- C96 H166 N6 O14 P2 Yb2 -","1","0.5","","Deng, Mingyu; Yao, Yingming; Shen, Qi; Zhang, Yong; Sun, Jin","Novel lanthanide(II) complexes supported by carbon-bridged biphenolate ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2004","","6","944","950","10.1039/b317027f","","","0.7107","MoKα","","0.0359","0.0332","","","0.0785","0.0798","","","","","","1.145","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013999","32.122","0.002","14.5658","0.0009","21.2482","0.0013","90","","100.534","0.002","90","","9774.1","1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H160 N12 O8 P4 Sm2 -","- C84 H160 N12 O8 P4 Sm2 -","- C336 H640 N48 O32 P16 Sm8 -","4","0.5","","Deng, Mingyu; Yao, Yingming; Shen, Qi; Zhang, Yong; Sun, Jin","Novel lanthanide(II) complexes supported by carbon-bridged biphenolate ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2004","","6","944","950","10.1039/b317027f","","","0.7107","MoKα","","0.0579","0.0554","","","0.0952","0.0959","","","","","","1.373","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7014000","12.057","0.001","12.123","0.001","13.916","0.001","102.27","0.005","109.119","0.005","95.366","0.004","1848.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H41 N Ni O P2 -","- C41 H41 N Ni O P2 -","- C82 H82 N2 Ni2 O2 P4 -","2","1","","Kwon, Heon Yong; Lee, Su Yeon; Lee, Bun Yeoul; Shin, Dong Mok; Chung, Young Keun","Synthesis, characterization and ethylene reactivity of 2-diphenylphosphanylbenzamido nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","921","928","10.1039/b317033k","","","0.71073","MoKα","","0.2605","0.0914","","","0.1593","0.2142","","","","","","1.006","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014001","24.636","0.001","13.792","0.001","21.955","0.001","90","","108.448","0.002","90","","7076.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 N Ni O P2 -","- C39 H45 N Ni O P2 -","- C312 H360 N8 Ni8 O8 P16 -","8","1","","Kwon, Heon Yong; Lee, Su Yeon; Lee, Bun Yeoul; Shin, Dong Mok; Chung, Young Keun","Synthesis, characterization and ethylene reactivity of 2-diphenylphosphanylbenzamido nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","921","928","10.1039/b317033k","","","0.71073","MoKα","","0.1625","0.0715","","","0.1598","0.1969","","","","","","1.025","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014002","37.758","0.001","12.04","0.001","20.981","0.001","90","","109.45","0.06","90","","8994","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H26 B F15 N Ni O P -","- C50 H26 B F15 N Ni O P -","- C400 H208 B8 F120 N8 Ni8 O8 P8 -","8","1","","Kwon, Heon Yong; Lee, Su Yeon; Lee, Bun Yeoul; Shin, Dong Mok; Chung, Young Keun","Synthesis, characterization and ethylene reactivity of 2-diphenylphosphanylbenzamido nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","921","928","10.1039/b317033k","","","0.71073","MoKα","","0.0767","0.0456","","","0.0996","0.1135","","","","","","1.023","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014003","14.9305","0.0004","17.2883","0.0006","20.1574","0.0006","92.828","0.002","105.688","0.002","106.531","0.002","4757.1","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C97 H53 B2 F30 N2 Ni2 O2 P2 -","- C97 H53 B2 F30 N2 Ni2 O2 P2 -","- C194 H106 B4 F60 N4 Ni4 O4 P4 -","2","1","","Kwon, Heon Yong; Lee, Su Yeon; Lee, Bun Yeoul; Shin, Dong Mok; Chung, Young Keun","Synthesis, characterization and ethylene reactivity of 2-diphenylphosphanylbenzamido nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","921","928","10.1039/b317033k","","","0.71073","MoKα","","0.1576","0.1042","","","0.3106","0.3398","","","","","","1.125","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014004","12.5838","0.0004","15.4674","0.0005","22.3179","0.0008","90","","89.4179","0.0016","90","","4343.7","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H28 B F15 N Ni O P -","- C47 H28 B F15 N Ni O P -","- C188 H112 B4 F60 N4 Ni4 O4 P4 -","4","1","","Kwon, Heon Yong; Lee, Su Yeon; Lee, Bun Yeoul; Shin, Dong Mok; Chung, Young Keun","Synthesis, characterization and ethylene reactivity of 2-diphenylphosphanylbenzamido nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","921","928","10.1039/b317033k","","","0.71073","MoKα","","0.1426","0.0957","","","0.2362","0.2672","","","","","","1.047","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014005","9.0804","0.0005","11.3912","0.0007","14.2513","0.0008","104.222","0.001","92.649","0.001","90.355","0.001","1427.17","0.14","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 N22 Ni2 O22 -","- C40 H50.5 N22 Ni2 O22.5 -","- C40 H50.5 N22 Ni2 O22.5 -","1","0.5","","Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.","Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1446","1455","10.1039/b317091h","","","0.71073","MoKα","","0.0617","0.055","","","0.1553","0.1608","","","","","","1.053","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014006","7.4206","0.0005","13.0519","0.0009","16.7285","0.0012","90","","93.754","0.001","90","","1616.73","0.19","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C17 H32 Mn2 N12 O20 -","- C17 H32 Mn2 N12 O20 -","- C34 H64 Mn4 N24 O40 -","2","1","","Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.","Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1446","1455","10.1039/b317091h","","","0.71073","MoKα","","0.047","0.0403","","","0.1007","0.1048","","","","","","1.003","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014007","13.2151","0.0012","19.8918","0.0019","22.877","0.002","90","","106.009","0.002","90","","5780.5","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.75 H48.5 Mn2 N25 O20.75 -","- C32.75 H44.25 Mn2 N25 O20.75 -","- C131 H177 Mn8 N100 O83 -","4","1","","Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.","Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1446","1455","10.1039/b317091h","","","0.71073","MoKα","","0.1467","0.1266","","","0.3497","0.3598","","","","","","1.139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014008","32.664","0.002","17.8963","0.0012","35.999","0.002","90","","116.953","0.001","90","","18758","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Br6 Co4 N32 O12 -","- C56 H52 Br6 Co4 N32 O9 -","- C448 H416 Br48 Co32 N256 O72 -","8","1","","Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.","Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1446","1455","10.1039/b317091h","","","0.71073","MoKα","","0.1089","0.0605","","","0.1622","0.177","","","","","","0.928","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014009","24.5027","0.0008","24.5027","0.0008","84.524","0.005","90","","90","","120","","43948","3","193","2","193","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C84 H115 B6 F24 N48 Ni4 O27.5 -","- C84 H84 B6 F24 N48 Ni4 O27.5 -","- C1008 H1008 B72 F288 N576 Ni48 O330 -","12","0.333333","","Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.","Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1446","1455","10.1039/b317091h","","","0.71073","MoKα","","0.1063","0.0887","","","0.2703","0.2914","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014010","8.5023","0.0006","25.4503","0.0018","18.7049","0.0014","90","","99.805","0.001","90","","3988.4","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N10 Ni4 O18 -","- C30 H37 N10 Ni4 O18 -","- C120 H148 N40 Ni16 O72 -","4","1","","Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.","Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1446","1455","10.1039/b317091h","","","0.71073","MoKα","","0.0676","0.052","","","0.1377","0.1469","","","","","","1.025","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014011","9.153","0.0002","19.1733","0.0004","11.5265","0.0003","90","","99.595","0.001","90","","1994.52","0.08","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","[Y(CH2Ph)(thf)2{C6H3iPr2N(CH2)3NC6H3iPr2}]","","","- C42 H63 N2 O2 Y -","- C42 H63 N2 O2 Y -","- C84 H126 N4 O4 Y2 -","2","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.0524","0.0422","","","0.0916","0.097","","","","","","1.041","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014012","11.0609","0.0004","17.1207","0.0006","11.3288","0.0004","90","","106.524","0.002","90","","2056.74","0.13","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","[Y(thf){N(SiMe3)2}{C6H3iPr2N(CH2)3NC6H3iPr2}]","","","- C37 H66 N3 O Si2 Y -","- C37 H66 N3 O Si2 Y -","- C74 H132 N6 O2 Si4 Y2 -","2","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.0497","0.0418","","","0.0958","0.1009","","","","","","1.03","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014013","12.2379","0.0002","13.0294","0.0002","36.6872","0.0006","90","","98.851","0.001","90","","5780.2","0.16","223","2","223","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","(Y(C6H3iPr2N(CH2)3NC6H3iPr2)2K(C7H8))","","","- C61 H88 K N4 Y -","- C61 H88 K N4 Y -","- C244 H352 K4 N16 Y4 -","4","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.1098","0.0677","","","0.1314","0.1477","","","","","","1.062","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014014","12.225","0.0004","14.244","0.0004","25.3516","0.0009","78.418","0.001","80.205","0.001","85.201","0.002","4256","0.2","223","2","223","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[{YI(thf)2(C6H3iPr2NCH2CH2NC6H3iPr2)}2].2.5(toluene)","","","- C85.5 H128 I2 N4 O4 Y2 -","- C85.5 H124 I2 N4 O4 Y2 -","- C171 H248 I4 N8 O8 Y4 -","2","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.1288","0.1027","","","0.2078","0.2173","","","","","","1.266","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014015","12.5573","0.0002","17.9434","0.0003","19.4501","0.0003","90","","99.444","0.001","90","","4323.11","0.12","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","(Y(thf)(CH(SiMe3)2)(C6H3iPr2NCH2CH2NC6H3iPr2)).1/2(pentane)","","","- C39.5 H71 N2 O Si2 Y -","- C39.5 H65 N2 O Si2 Y -","- C158 H260 N8 O4 Si8 Y4 -","4","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.0921","0.0575","","","0.1085","0.1207","","","","","","1.061","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014016","25.4497","0.0007","14.2389","0.0003","25.1449","0.0005","90","","105.14","0.001","90","","8795.6","0.4","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H141 N6 O Y3 -","- C87 H141 N6 O Y3 -","- C348 H564 N24 O4 Y12 -","4","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.173","0.0843","","","0.1396","0.1724","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014017","10.2131","0.0003","23.5543","0.0006","18.5374","0.0007","90","","101.19","0.001","90","","4374.6","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","[Y(thf)(OC6H2MetBu2)(C6H3iPr2NCH2CH2NC6H3iPr2)]","","","- C45 H69 N2 O2 Y -","- C45 H69 N2 O2 Y -","- C180 H276 N8 O8 Y4 -","4","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.1024","0.0606","","","0.1222","0.1423","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014018","16.7778","0.0003","9.6378","0.0001","19.7477","0.0003","90","","109.171","0.001","90","","3016.14","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 Si -","- C32 H44 N2 Si -","- C128 H176 N8 Si4 -","4","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.0542","0.0414","","","0.0984","0.1059","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014019","9.7063","0.0002","24.9099","0.0006","18.6024","0.0004","90","","97.802","0.001","90","","4456.11","0.17","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","[Y(thf)(OC6H2tBu2Me)(C6H3iPr2N(CH2)3NC6H3iPr2)]","","","- C46 H63 N2 O2 Y -","- C46 H63 N2 O2 Y -","- C184 H252 N8 O8 Y4 -","4","1","","Avent, Anthony G.; Cloke, F Geoffrey N; Elvidge, Benjamin R.; Hitchcock, Peter B.","Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1083","1096","10.1039/b400149d","","x-ray","0.71073","MoKα","","0.1055","0.061","","","0.1164","0.1361","","","","","","1.053","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014020","24.8121","0.0003","10.5438","0.0002","18.073","0.0004","90","","104.607","0.001","90","","4575.33","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C46 H66 Cl1 F5 P2 Pt1","","","- C46 H66 Cl F5 P2 Pt -","- C46 H66 Cl F5 P2 Pt -","- C184 H264 Cl4 F20 P8 Pt4 -","4","1","","Shima, Takanori; Bauer, Eike B.; Hampel, Frank; Gladysz, J. A.","Alkene metatheses in transition metal coordination spheres: dimacrocyclizations that join trans positions of square-planar platinum complexes to give topologically novel diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1012","1028","10.1039/b400156g","","","0.71073","MoKα","","0.086","0.0404","","","0.0695","0.0796","","","","","","0.998","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014021","11.6947","0.0001","13.2945","0.0001","14.9666","0.0002","88.334","0.001","81.185","0.001","76.195","0.001","2232.96","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 Cl F5 P2 Pt -","- C46 H65 Cl F5 P2 Pt -","- C92 H130 Cl2 F10 P4 Pt2 -","2","1","","Shima, Takanori; Bauer, Eike B.; Hampel, Frank; Gladysz, J. A.","Alkene metatheses in transition metal coordination spheres: dimacrocyclizations that join trans positions of square-planar platinum complexes to give topologically novel diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1012","1028","10.1039/b400156g","","","0.71073","MoKα","","0.0324","0.0247","","","0.0601","0.0751","","","","","","1.152","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014022","10.575","0.0001","12.267","0.0002","18.163","0.0003","72.929","0.0009","84.61","0.0008","82.431","0.0008","2228.93","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 Cl F5 P2 Pt -","- C46 H66 Cl F5 P2 Pt -","- C92 H132 Cl2 F10 P4 Pt2 -","2","1","","Shima, Takanori; Bauer, Eike B.; Hampel, Frank; Gladysz, J. A.","Alkene metatheses in transition metal coordination spheres: dimacrocyclizations that join trans positions of square-planar platinum complexes to give topologically novel diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1012","1028","10.1039/b400156g","","","0.71073","MoKα","","0.0305","0.0268","","","0.0621","0.0636","","","","","","1.029","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014023","23.5432","0.0011","15.7182","0.0006","21.5805","0.0006","90","","112.273","0.002","90","","7390.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 Cl F5 P2 Pt -","- C38 H50 Cl F5 P2 Pt -","- C304 H400 Cl8 F40 P16 Pt8 -","8","2","","Shima, Takanori; Bauer, Eike B.; Hampel, Frank; Gladysz, J. A.","Alkene metatheses in transition metal coordination spheres: dimacrocyclizations that join trans positions of square-planar platinum complexes to give topologically novel diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1012","1028","10.1039/b400156g","","","0.71073","MoKα","","0.1156","0.0449","","","0.0958","0.1319","","","","","","0.93","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014024","18.5572","0.0003","10.9033","0.0002","28.7856","0.0005","90","","90","","90","","5824.33","0.17","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H34 Cl F5 P2 Pt -","- C30 H34 Cl F5 P2 Pt -","- C240 H272 Cl8 F40 P16 Pt8 -","8","1","","Shima, Takanori; Bauer, Eike B.; Hampel, Frank; Gladysz, J. A.","Alkene metatheses in transition metal coordination spheres: dimacrocyclizations that join trans positions of square-planar platinum complexes to give topologically novel diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1012","1028","10.1039/b400156g","","","0.71073","MoKα","","0.0334","0.024","","","0.0602","0.0751","","","","","","1.116","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014025","13.6479","0.0001","19.0165","0.0003","15.0138","0.0002","90","","106.719","0.001","90","","3731.89","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Cl F5 P2 Pt -","- C38 H46 Cl F5 P2 Pt -","- C152 H184 Cl4 F20 P8 Pt4 -","4","1","","Shima, Takanori; Bauer, Eike B.; Hampel, Frank; Gladysz, J. A.","Alkene metatheses in transition metal coordination spheres: dimacrocyclizations that join trans positions of square-planar platinum complexes to give topologically novel diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1012","1028","10.1039/b400156g","","","0.71073","MoKα","","0.0233","0.0199","","","0.0491","0.0505","","","","","","1.061","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014026","9.933","0.002","11.311","0.002","13.865","0.003","90","","95.59","0.03","90","","1550.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 O8 P2 Zn4 -","- C20 H46 O8 P2 Zn4 -","- C40 H92 O16 P4 Zn8 -","2","0.5","","Anantharaman, Ganapathi; Chandrasekhar, Vadapalli; Walawalkar, Mrinalini G.; Roesky, Herbert W.; Vidovic, Denis; Magull, Jorg; Noltemeyer, Mathias","Molecular zinc phosphonates: synthesis and X-ray crystal structures of [[(ZnMe)4(THF)2][tBuPO3]2] and [[(ZnEt)3(Zn(THF))3][tBuPO3]4[mu3-OEt]].","Dalton transactions (Cambridge, England : 2003)","2004","","8","1271","1275","10.1039/b400168k","","","0.71073","MoKα","","0.0586","0.0513","","","0.1256","0.1318","","","","","","1.113","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014027","12.512","0.003","13.218","0.003","16.542","0.003","89.39","0.03","85.99","0.03","78.1","0.03","2670.4","1.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H80 O16 P4 Zn6 -","- C36 H80 O16 P4 Zn6 -","- C72 H160 O32 P8 Zn12 -","2","1","","Anantharaman, Ganapathi; Chandrasekhar, Vadapalli; Walawalkar, Mrinalini G.; Roesky, Herbert W.; Vidovic, Denis; Magull, Jorg; Noltemeyer, Mathias","Molecular zinc phosphonates: synthesis and X-ray crystal structures of [[(ZnMe)4(THF)2][tBuPO3]2] and [[(ZnEt)3(Zn(THF))3][tBuPO3]4[mu3-OEt]].","Dalton transactions (Cambridge, England : 2003)","2004","","8","1271","1275","10.1039/b400168k","","","0.71073","MoKα","","0.0621","0.0376","","","0.0796","0.0833","","","","","","0.783","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014028","14.6315","0.001","18.5261","0.001","14.2015","0.001","90","","106.83","0.003","90","","3684.6","0.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis(1,2-bis(dimethylstibanylmethyl)benzene)copper(I) tetrafluoroborate ethanol solvate, dichloromethane solvate","","- C27.4 H48.4 B Cl0.4 Cu F4 O0.8 Sb4 -","- C27.184 H47.96 B Cl0.408 Cu F4 O0.796 Sb4 -","- C108.736 H191.84 B4 Cl1.632 Cu4 F16 O3.184 Sb16 -","4","1","","Levason, William; Matthews, Melissa L.; Reid, Gillian; Webster, Michael","Synthesis and characterisation of transition metal halide complexes of the xylyl-distibine, 1,2-bis(dimethylstibanylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2004","","4","554","561","10.1039/b400214h","","","0.71073","MoKα","","0.0354","0.0307","","","0.0735","0.076","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014029","9.4616","0.0015","13.608","0.003","27.146","0.004","95.814","0.01","95.74","0.01","107.789","0.008","3279.1","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Iodobis(1,2-bis(dimethylstibanylmethyl)benzene)nickel(II) perchlorate","","- C24 H40 Cl I Ni O4 Sb4 -","- C24 H40 Cl I Ni O4 Sb4 -","- C96 H160 Cl4 I4 Ni4 O16 Sb16 -","4","2","","Levason, William; Matthews, Melissa L.; Reid, Gillian; Webster, Michael","Synthesis and characterisation of transition metal halide complexes of the xylyl-distibine, 1,2-bis(dimethylstibanylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2004","","4","554","561","10.1039/b400214h","","","0.71073","MoKα","","0.1123","0.0586","","","0.1387","0.1595","","","","","","1.007","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014030","17.654","0.002","10.809","0.0015","17.908","0.003","90","","90","","90","","3417.2","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dichloro(1,2-bis(dimethylstibanylmethyl)benzene)platinum(II)","","- C12 H20 Cl2 Pt Sb2 -","- C12 H20 Cl2 Pt Sb2 -","- C96 H160 Cl16 Pt8 Sb16 -","8","1","","Levason, William; Matthews, Melissa L.; Reid, Gillian; Webster, Michael","Synthesis and characterisation of transition metal halide complexes of the xylyl-distibine, 1,2-bis(dimethylstibanylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2004","","4","554","561","10.1039/b400214h","","","0.71073","MoKα","","0.0658","0.0552","","","0.1512","0.1626","","","","","","1.114","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014031","15.699","0.002","15.344","0.002","18.052","0.002","90","","108.898","0.004","90","","4114.1","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(1,2-bis(dimethylstibanylmethyl)benzene)platinum(II) bis(hexafluorophosphate) acetonitrile solvate","","- C28 H46 F12 N2 P2 Pt Sb4 -","- C28 H40 F12 N2 P2 Pt Sb4 -","- C112 H160 F48 N8 P8 Pt4 Sb16 -","4","1","","Levason, William; Matthews, Melissa L.; Reid, Gillian; Webster, Michael","Synthesis and characterisation of transition metal halide complexes of the xylyl-distibine, 1,2-bis(dimethylstibanylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2004","","4","554","561","10.1039/b400214h","","","0.71073","MoKα","","0.1022","0.0523","","","0.1","0.1155","","","","","","1.024","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014032","10.604","0.002","15.291","0.003","11.692","0.002","90","","105.335","0.015","90","","1828.3","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,2-bis(dimethylstibanylmethyl)benzene)palladium(II) bishexafluorophosphate","","- C24 H40 F12 P2 Pd Sb4 -","- C24 H40 F12 P2 Pd Sb4 -","- C48 H80 F24 P4 Pd2 Sb8 -","2","0.5","","Levason, William; Matthews, Melissa L.; Reid, Gillian; Webster, Michael","Synthesis and characterisation of transition metal halide complexes of the xylyl-distibine, 1,2-bis(dimethylstibanylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2004","","4","554","561","10.1039/b400214h","","","0.71073","MoKα","","0.0507","0.0391","","","0.0832","0.089","","","","","","1.064","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014033","10.3056","0.0007","23.3953","0.001","24.7252","0.0016","90","","98.38","0.008","90","","5897.7","0.6","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Re(i)(2,4-Pyridinedicarboxylicacid)(water)(CO)3 x 2 H2O","Re(I)(2,4-Pyridinedicarboxylicacid)(water)(CO)3 x 2 H2O","","- C10 H10 N O10 Re -","- C10 H6 N O10 Re -","- C160 H96 N16 O160 Re16 -","16","4","","Mundwiler, Stefan; Kündig, Monika; Ortner, Kirstin; Alberto, Roger","A new [2 + 1] mixed ligand concept based on [99(m)Tc(OH2)3(CO)3]+: a basic study.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1320","1328","10.1039/b400220b","","","0.71073","MoKα","","0.0588","0.0326","","","0.0722","0.078","","","","","","0.847","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014034","7.5005","0.0008","8.6008","0.0009","12.6462","0.0013","95.12","0.012","94.378","0.012","106.362","0.011","775.24","0.15","183","2","183","2","","","","","","","","5","P -1","-P 1","2","[Re(CO)3(2,5-dipic)(im)]","Rhenium(I)-(pyridine-2.5-dicarboxylicacid)(imidazole)(CO)3","","- C13 H8 N3 O7 Re -","- C13 H8 N3 O7 Re -","- C26 H16 N6 O14 Re2 -","2","1","","Mundwiler, Stefan; Kündig, Monika; Ortner, Kirstin; Alberto, Roger","A new [2 + 1] mixed ligand concept based on [99(m)Tc(OH2)3(CO)3]+: a basic study.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1320","1328","10.1039/b400220b","","","0.71073","MoKα","","0.0614","0.0345","","","0.064","0.0683","","","","","","0.821","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014035","11.7875","0.0009","7.343","0.0006","12.8952","0.001","90","","114.894","0.008","90","","1012.45","0.15","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tc(i)(water)(1H-imidazole-4-carboxylic acid)(CO)3","","","- C7 H5 N2 O6 Tc -","- C7 H5 N2 O6 Tc -","- C28 H20 N8 O24 Tc4 -","4","1","","Mundwiler, Stefan; Kündig, Monika; Ortner, Kirstin; Alberto, Roger","A new [2 + 1] mixed ligand concept based on [99(m)Tc(OH2)3(CO)3]+: a basic study.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1320","1328","10.1039/b400220b","","","0.71073","MoKα","","0.0284","0.0253","","","0.0639","0.0645","","","","","","0.989","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014036","20.232","0.011","13.24","0.005","14.296","0.006","90","","102.13","0.06","90","","3744","3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Re(i)(2,4-Pyridinedicarboxylicacid)(benzylisocyanide)(CO)3","Re(I)(2,4-Pyridinedicarboxylicacid)(benzylisocyanide)(CO)3","","- C18 H11 N2 O7 Re -","- C18 H4 N2 O7 Re -","- C144 H32 N16 O56 Re8 -","8","1","","Mundwiler, Stefan; Kündig, Monika; Ortner, Kirstin; Alberto, Roger","A new [2 + 1] mixed ligand concept based on [99(m)Tc(OH2)3(CO)3]+: a basic study.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1320","1328","10.1039/b400220b","","","0.71073","MoKα","","0.0578","0.0378","","","0.0866","0.0914","","","","","","0.908","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014037","21.346","0.008","20.514","0.017","15.413","0.01","90","","130.5","0.04","90","","5132","6","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(1,2,3,4,5-pentamethylcyclopentadienyl)barium(II)dien","","- C24 H43 Ba N3 -","- C24 H43 Ba N3 -","- C192 H344 Ba8 N24 -","8","1","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71073","MoKα","","0.0457","0.0393","","","0.0968","0.1002","","","","","","1.022","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014038","15.107","0.001","15.107","0.0019","24.052","0.003","90","","90","","90","","5489.2","1","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis(1,2,3,4,5-pentamethylcyclopentadienyl)barium(II) diglyme","","- C26 H44 Ba O3 -","- C26 H44 Ba O3 -","- C208 H352 Ba8 O24 -","8","1","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71073","MoKα","","0.0969","0.0482","","","0.0708","0.0809","","","","","","1.012","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014039","16.62","0.005","21.738","0.005","16.243","0.005","90","","90","","90","","5868","3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(1,2,3,4,5-pentamethylcyclopentadienyl)barium(II)triglyme","","- C28 H48 Ba O4 -","- C28 H48 Ba O4 -","- C224 H384 Ba8 O32 -","8","1","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71069","MoKα","","0.083","0.0689","","","0.1821","0.1934","","","","","","1.04","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014040","10.602","0.002","23.618","0.008","15.104","0.004","90","","91.046","0.019","90","","3781.4","1.8","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(1,3,5-tritertbutylcyclopentadienyl)barium(tetrahydrofuran)","","- C38 H66 Ba O -","- C38 H66 Ba O -","- C152 H264 Ba4 O4 -","4","1","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71073","MoKα","","0.1141","0.0669","","","0.1476","0.1639","","","","","","1.021","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014041","17.028","0.005","17.028","0.005","47.342","0.005","90","0.005","90","0.005","120","0.005","11888","5","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Bis(N,N-dimethylaminoethyl-1,2,3,4-tetramethylcyclopentadienyl)barium(II)","","- C26 H44 Ba N2 -","- C26 H44 Ba N2 -","- C468 H792 Ba18 N36 -","18","0.5","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71069","MoKα","","0.0588","0.0492","","","0.1139","0.1193","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014042","15.202","0.003","22.907","0.003","15.135","0.003","90","","90","","90","","5270.5","1.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(ethoxyethyl-1,2,3,4-tetramethylcyclopentadienyl)barium(II)","","- C26 H42 Ba O2 -","- C26 H42 Ba O2 -","- C208 H336 Ba8 O16 -","8","1","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71073","MoKα","","0.0824","0.043","","","0.0927","0.1078","","","","","","1.019","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014043","25.24","0.002","16.441","0.001","21.033","0.002","90","","102.282","0.003","90","","8528.3","1.2","93.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H47 Cl N7 O14 P Zn2 -","- C37 H33 Cl N7 O14 P Zn2 -","- C296 H264 Cl8 N56 O112 P8 Zn16 -","8","1","","Kinoshita, Eiji; Takahashi, Makoto; Takeda, Hironori; Shiro, Motoo; Koike, Tohru","Recognition of phosphate monoester dianion by an alkoxide-bridged dinuclear zinc(II) complex.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1189","1193","10.1039/b400269e","","","0.7107","MoKα","","","0.0653","","","","0.2135","","","","","","1.48","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014044","10.6354","0.0001","13.455","0.0002","16.3064","0.0001","90","","98.783","0.001","90","","2306.07","0.04","150","2","150","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","Zr-metallorganic","Zr-metallorganic","","- C22 H26 Cl2 Si2 Zr -","- C22 H26 Cl2 Si2 Zr -","- C88 H104 Cl8 Si8 Zr4 -","4","1","","Möller, Andreas C; Heyn, Richard H.; Blom, Richard; Swang, Ole; Görbitz, Carl Henrik; Kopf, Jürgen","Synthesis, structure, and ethene polymerisation catalysis of 1- or 2-silyl substituted bis[indenyl]zirconium(IV) dichlorides.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1578","1589","10.1039/b400505h","","","0.71073","MoKα","","0.0703","0.0371","","","0.0792","0.0917","","","","","","1.023","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014045","9.7631","0.0006","34.995","0.003","8.1505","0.0007","90","","112.415","0.002","90","","2574.3","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-(trimethylsilyl)indenyl)zirconium(IV) dichloride","Bis[2-(trimethylsilyl)indenyl]zirconium(IV) dichloride","","- C24 H30 Cl2 Si2 Zr -","- C24 H30 Cl2 Si2 Zr -","- C96 H120 Cl8 Si8 Zr4 -","4","1","","Möller, Andreas C; Heyn, Richard H.; Blom, Richard; Swang, Ole; Görbitz, Carl Henrik; Kopf, Jürgen","Synthesis, structure, and ethene polymerisation catalysis of 1- or 2-silyl substituted bis[indenyl]zirconium(IV) dichlorides.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1578","1589","10.1039/b400505h","","","0.71073","MoKα","","0.0407","0.0374","","","0.0944","0.0959","","","","","","1.11","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014046","15.856","0.001","9.1701","0.0007","31.549","0.003","90","","98.763","0.007","90","","4533.7","0.6","296","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 Fe N5 -","- C22 H37 Fe N5 -","- C176 H296 Fe8 N40 -","8","1","","Bernhardt, Paul V.; Creevey, Nicole L.","Electrochemical anion recognition with ferrocene functionalised macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","6","914","920","10.1039/b400538d","","x-ray","0.71073","MoKα","","0.1013","0.0451","","","0.1168","0.1406","","","","","","1.008","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014047","10.0667","0.0007","23.301","0.002","46.071","0.004","90","","90","","90","","10806.6","1.5","293","2","293","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C44 H74 Cl6 Fe2 N10 Zn3 -","- C44 H74 Cl6 Fe2 N10 Zn3 -","- C352 H592 Cl48 Fe16 N80 Zn24 -","8","1","","Bernhardt, Paul V.; Creevey, Nicole L.","Electrochemical anion recognition with ferrocene functionalised macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","6","914","920","10.1039/b400538d","","x-ray","0.71073","MoKα","","0.3007","0.0629","","","0.0968","0.1524","","","","","","0.939","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014048","11.063","0.002","12.957","0.003","14.01","0.003","109.35","0.02","90.95","0.02","101.71","0.02","1847.7","0.7","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C34 H64 Fe N10 -","- C34 H64 Fe N10 -","- C68 H128 Fe2 N20 -","2","1","","Bernhardt, Paul V.; Creevey, Nicole L.","Electrochemical anion recognition with ferrocene functionalised macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","6","914","920","10.1039/b400538d","","x-ray","0.71073","MoKα","","0.1606","0.0932","","","0.2421","0.2952","","","","","","1.021","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7014049","19.263","0.001","20.115","0.001","28.656","0.002","90","","100.132","0.001","90","","10930.3","1.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C135 H99 La3 N18 -","- C135 H99 La3 N18 -","- C540 H396 La12 N72 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.","Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1239","1247","10.1039/b400541d","","","0.71073","MoKα","","0.058","0.035","","0.045","","0.041","","","1.067","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014050","19.094","0.001","20.033","0.001","28.573","0.002","90","","99.765","0.001","90","","10771.1","1.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C135 H99 N18 Nd3 -","- C135 H99 N18 Nd3 -","- C540 H396 N72 Nd12 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.","Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1239","1247","10.1039/b400541d","","","0.71073","MoKα","","0.06","0.045","","0.065","","0.062","","","1.463","","","1.569","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014051","12.77","0.002","19.056","0.003","30.256","0.005","90","","98.217","0.003","90","","7287","2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C90 H66 Er2 N12 -","- C90 H66 Er2 N12 -","- C360 H264 Er8 N48 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.","Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1239","1247","10.1039/b400541d","","","0.71073","MoKα","","0.147","0.07","","0.192","","0.082","","","1.957","","","1.318","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014052","12.7838","0.0002","18.9626","0.0004","30.0967","0.0005","90","","98.18","0.001","90","","7221.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Hexakis(3,5-diphenylpyrazolato)dilutetium(III)","","- C90 H66 Lu2 N12 -","- C90 H66 Lu2 N12 -","- C360 H264 Lu8 N48 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.","Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1239","1247","10.1039/b400541d","","","0.71073","MoKα","","0.0675","0.0393","","","0.1162","0.1654","","","","","","1.185","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014053","20.394","0.003","13.793","0.002","21.959","0.004","90","","104.779","0.003","90","","5972.6","1.6","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H57 La N10 -","- C75 H57 La N10 -","- C300 H228 La4 N40 -","4","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.","Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1239","1247","10.1039/b400541d","","","0.71073","MoKα","","0.095","0.049","","0.049","","0.042","","","0.892","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014054","20.328","0.002","13.805","0.002","21.94","0.002","90","","104.535","0.002","90","","5959.9","1.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H57 N10 Nd -","- C75 H57 N10 Nd -","- C300 H228 N40 Nd4 -","4","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.","Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1239","1247","10.1039/b400541d","","","0.71073","MoKα","","0.046","0.032","","0.037","","0.034","","","0.952","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014055","20.228","0.002","13.806","0.002","21.879","0.002","90","","104.516","0.002","90","","5915.1","1.2","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H57 Gd N10 -","- C75 H57 Gd N10 -","- C300 H228 Gd4 N40 -","4","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.","Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1239","1247","10.1039/b400541d","","","0.71073","MoKα","","0.038","0.029","","0.034","","0.032","","","0.955","","","0.978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014056","20.209","0.002","13.816","0.002","21.85","0.002","90","","104.179","0.002","90","","5914.8","1.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H57 Er N10 -","- C75 H57 Er N10 -","- C300 H228 Er4 N40 -","4","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.","Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1239","1247","10.1039/b400541d","","","0.71073","MoKα","","0.033","0.027","","0.033","","0.032","","","1.065","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014057","20.274","0.002","14.078","0.001","21.947","0.002","90","","103.668","0.002","90","","6086.7","0.9","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H57 N10 Yb -","- C75 H57 N10 Yb -","- C300 H228 N40 Yb4 -","4","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.","Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1239","1247","10.1039/b400541d","","","0.71073","MoKα","","0.037","0.027","","0.031","","0.0298","","","0.95","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014058","22.362","0.008","11.27","0.006","23.069","0.006","90","","119","0.02","90","","5085","4","295","","295","","","","1","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 O4.43 P Si2 V -","- C60 H50 O4.4291 P Si2 V -","- C240 H200 O17.7164 P4 Si8 V4 -","4","1","","Vennat, Maxence; Bregeault, Jean-Marie; Herson, Patrick","Mixed crystals containing the dioxo complex [[Ph3SiO]2VO2]- and novel pentacoordinated oxoperoxo complex [[Ph3SiO]2VO(O2)]-: X-ray crystal structure and assessment as oxidation catalysts.","Dalton transactions (Cambridge, England : 2003)","2004","","6","908","913","10.1039/b400657g","","","0.71069","MoKα","","0.0941","0.0512","","0.0657","0.0636","0.0636","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014059","14.554","0.003","11.561","0.002","9.921","0.003","90","","90","","90","","1669.3","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H24 Al Cl2 N3 Si -","- C10 H14 Al Cl2 N3 Si -","- C40 H56 Al4 Cl8 N12 Si4 -","4","0.5","","Passarelli, Vincenzo; Benetollo, Franco; Zanella, Pierino","Solution dynamics and molecular structure elucidation of novel aluminium derivatives containing diaminodimethylsilane ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1424","1431","10.1039/b400661e","","","0.71073","MoKα","","0.0936","0.0913","","","0.1975","0.1993","","","","","","1.238","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014060","7.861","0.002","15.432","0.002","16.856","0.002","90","","98.64","0.02","90","","2021.6","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Co(N4samp)Cl](ZnCl4)","","","- C10 H26 Cl5 Co N4 S Zn -","- C10 H26 Cl5 Co N4 S Zn -","- C40 H104 Cl20 Co4 N16 S4 Zn4 -","4","1","","Sharrad, Clint A.; Cavigliasso, Germán E; Stranger, Robert; Gahan, Lawrence R.","Synthesis, characterization and DFT studies of the cobalt(III) complex of a tetrapodal pentadentate N4S donor ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1166","1172","10.1039/b400710g","","","0.71073","MoKα","","0.0869","0.051","","0.1518","0.1338","","","","","","","1.078","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014061","12.272","0.003","12.272","0.003","27.26","0.012","90","","90","","90","","4105","2","190","2","190","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C21 H26 Cl N O2 Ru -","- C21 H26 Cl N O2 Ru -","- C168 H208 Cl8 N8 O16 Ru8 -","8","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","MoKα","","0.095","0.0637","","","0.1422","0.169","","","","","","1.105","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014062","6.666","0.001","17.697","0.005","18.595","0.008","90","","90","","90","","2193.6","1.2","190","2","190","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 Cl N O2 Ru -","- C23 H30 Cl N O2 Ru -","- C92 H120 Cl4 N4 O8 Ru4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","MoKα","","0.0383","0.0343","","","0.0843","0.0875","","","","","","1.037","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014063","7.737","0.001","16.171","0.001","9.984","0.001","90","","93.38","0.01","90","","1247","0.2","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl4 N O2 Ru -","- C25 H25 Cl4 N O2 Ru -","- C50 H50 Cl8 N2 O4 Ru2 -","2","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","mokα","","0.0364","0.0361","","","0.0954","0.0957","","","","","","1.091","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7014064","10.5418","0.001","16.1518","0.0015","16.8105","0.0016","90","","90","","90","","2862.3","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 F6 N2 O2 Ru Sb -","- C27 H33 F6 N2 O2 Ru Sb -","- C108 H132 F24 N8 O8 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","MoKα","","0.0454","0.0374","","","0.0616","0.064","","","","","","0.925","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014065","14.8561","0.0006","16.772","0.0007","20.3864","0.0009","90","","99.774","0.001","90","","5005.9","0.4","180","2","180","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C63 H61 B N O2 P Ru -","- C63 H61 B N O2 P Ru -","- C252 H244 B4 N4 O8 P4 Ru4 -","4","2","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","MoKα","","0.075","0.0457","","","0.072","0.0927","","","","","","0.76","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014066","7.21","0.004","5.962","0.003","18.975","0.01","90","","99.336","0.009","90","","804.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Cd(mu2-NH2C6H4SO3)2(H2O)2)n","","","- C12 H16 Cd N2 O8 S2 -","- C12 H16 Cd N2 O8 S2 -","- C24 H32 Cd2 N4 O16 S4 -","2","0.5","","Zhou, Jin-Sen; Cai, Jiwen; Wang, Li; Ng, Seik-Weng","Reversible and selective amine interactions of [Cd(mu2-N,O-p-NH2C6H4SO3)2(H2O)2]n.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1493","1497","10.1039/b400790p","","","0.71073","MoKα","","0.0295","0.0278","","","0.0735","0.0752","","","","","","1.195","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014067","7.9686","0.0009","15.4694","0.0019","15.7489","0.0019","88.932","0.002","88.548","0.002","78.565","0.002","1902","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Cd(NH2C6H4SO3)2(C3H7NH2)4)(C3H7NH2)","","","- C27 H57 Cd N7 O6 S2 -","- C27 H48 Cd N7 O6 S2 -","- C54 H96 Cd2 N14 O12 S4 -","2","1","","Zhou, Jin-Sen; Cai, Jiwen; Wang, Li; Ng, Seik-Weng","Reversible and selective amine interactions of [Cd(mu2-N,O-p-NH2C6H4SO3)2(H2O)2]n.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1493","1497","10.1039/b400790p","","","0.71073","MoKα","","0.0799","0.0458","","","0.1178","0.1383","","","","","","1.02","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014068","10.68","0.003","7.863","0.002","18.906","0.006","90","","100.152","0.006","90","","1562.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Cd(C2H5NH2)4(H2O)2)(NH2C6H4SO3)2","","","- C20 H44 Cd N6 O8 S2 -","- C20 H44 Cd N6 O8 S2 -","- C40 H88 Cd2 N12 O16 S4 -","2","0.5","","Zhou, Jin-Sen; Cai, Jiwen; Wang, Li; Ng, Seik-Weng","Reversible and selective amine interactions of [Cd(mu2-N,O-p-NH2C6H4SO3)2(H2O)2]n.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1493","1497","10.1039/b400790p","","","0.71073","MoKα","","0.0473","0.0301","","","0.0791","0.0882","","","","","","1.032","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014069","25.332","0.008","10.106","0.003","18.831","0.006","90","","107.901","0.007","90","","4587","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl N4 P -","- C24 H24 Cl N4 P -","- C192 H192 Cl8 N32 P8 -","8","1","","Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano","From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.","Dalton transactions (Cambridge, England : 2003)","2004","","7","989","995","10.1039/b400798k","","","0.71073","MoKα","","0.0504","0.0374","","","0.0878","0.093","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014070","9.8386","0.0011","15.0001","0.0017","11.1318","0.0013","90","","104.66","0.002","90","","1589.3","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H39 Cl Li N4 O2 P -","- C32 H39 Cl Li N4 O2 P -","- C64 H78 Cl2 Li2 N8 O4 P2 -","2","1","","Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano","From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.","Dalton transactions (Cambridge, England : 2003)","2004","","7","989","995","10.1039/b400798k","","","0.71073","MoKα","","0.0319","0.0299","","","0.0733","0.074","","","","","","1.024","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014071","39.229","0.003","9.9824","0.0007","18.6572","0.0013","90","","94.512","0.001","90","","7283.5","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 Li N4 O3.5 P -","- C38 H50 Li N4 O3.5 P -","- C304 H400 Li8 N32 O28 P8 -","8","1","","Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano","From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.","Dalton transactions (Cambridge, England : 2003)","2004","","7","989","995","10.1039/b400798k","","","0.71073","MoKα","","0.0574","0.0485","","","0.1265","0.1324","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014072","19.1591","0.001","19.8041","0.001","44.318","0.002","90","","90","","90","","16815.5","1.4","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C82 H112 Cl2 Li4 N8 O8.5 P2 -","- C82 H112 Cl2 Li4 N8 O8.5 P2 -","- C656 H896 Cl16 Li32 N64 O68 P16 -","8","1","","Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano","From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.","Dalton transactions (Cambridge, England : 2003)","2004","","7","989","995","10.1039/b400798k","","","0.71073","MoKα","","0.0713","0.0522","","","0.124","0.1318","","","","","","0.948","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014073","13.135","0.007","13.475","0.007","15.345","0.008","107.012","0.009","105.86","0.009","90.125","0.009","2488","2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C96 H140 Cl2 Li4 N8 O12 P2 -","- C96 H140 Cl2 Li4 N8 O12 P2 -","- C96 H140 Cl2 Li4 N8 O12 P2 -","1","1","","Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano","From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.","Dalton transactions (Cambridge, England : 2003)","2004","","7","989","995","10.1039/b400798k","","","0.71073","MoKα","","0.1332","0.0939","","","0.2457","0.2791","","","","","","1.03","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014074","11.554","0.003","16.624","0.004","21.304","0.005","85.131","0.004","80.666","0.004","80.165","0.005","3971.5","1.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H52 Cl Li4 N4 O4 P -","- C40 H52 Cl Li4 N4 O4 P -","- C160 H208 Cl4 Li16 N16 O16 P4 -","4","2","","Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano","From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.","Dalton transactions (Cambridge, England : 2003)","2004","","7","989","995","10.1039/b400798k","","","0.71073","MoKα","","0.1743","0.0621","","","0.1163","0.1463","","","","","","0.799","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014075","12.365","0.015","15.106","0.017","22.6","0.03","78.907","0.01","75.256","0.01","67.41","0.01","3748","8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H180 Cl6 N8 Ni2 O13 S8 -","- C128 H180 Cl6 N8 Ni2 O13 S8 -","- C128 H180 Cl6 N8 Ni2 O13 S8 -","1","0.5","","Webber, Philip R. A.; Drew, Michael G. B.; Hibbert, Richard; Beer, Paul D.","Transition metal-directed self-assembly of calix[4]arene based dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1127","1135","10.1039/b400929k","","","0.71073","MoKα","","0.2708","0.1267","","","0.3489","0.406","","","","","","1.195","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014076","12.19","0.017","14.032","0.017","23.53","0.03","77.276","0.01","74.902","0.01","68.497","0.01","3580","8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H180 N8 O14 Pd2 S8 -","- C126 H180 N8 O14 Pd2 S8 -","- C126 H180 N8 O14 Pd2 S8 -","1","0.5","","Webber, Philip R. A.; Drew, Michael G. B.; Hibbert, Richard; Beer, Paul D.","Transition metal-directed self-assembly of calix[4]arene based dithiocarbamate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1127","1135","10.1039/b400929k","","","0.71073","MoKα","","0.3427","0.0878","","","0.2045","0.2472","","","","","","0.727","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014077","11.3843","0.0014","14.1792","0.0017","16.376","0.002","108.294","0.002","91.575","0.002","110.801","0.002","2317.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H41 B Eu N9 O4 -","- C54 H41 B Eu N9 O4 -","- C108 H82 B2 Eu2 N18 O8 -","2","1","","Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1136","1144","10.1039/b400992d","","","0.71073","MoKα","","0.0356","0.0262","","","0.0495","0.0512","","","","","","0.941","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014078","11.8548","0.0014","12.9275","0.0015","15.7597","0.0019","86.82","0.002","88.945","0.002","72.779","0.002","2303.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H82 B2 N18 Nd2 O8 -","- C108 H82 B2 N18 Nd2 O8 -","- C108 H82 B2 N18 Nd2 O8 -","1","0.5","","Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1136","1144","10.1039/b400992d","","","0.71073","MoKα","","0.0529","0.0281","","","0.0572","0.062","","","","","","0.9","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014079","19.194","0.004","26.548","0.005","17.996","0.004","90","","117.64","0.03","90","","8124","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.25 H36.5 B Cl0.5 N6 Nd O4 -","- C46.25 H36.5 B Cl0.5 N6 Nd O4 -","- C370 H292 B8 Cl4 N48 Nd8 O32 -","8","2","","Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1136","1144","10.1039/b400992d","","","0.71073","MoKα","","0.0951","0.0533","","","0.0914","0.1055","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014080","19.232","0.003","26.871","0.004","17.501","0.002","90","","116.158","0.002","90","","8118","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.25 H36.5 B Cl0.5 Er N6 O4 -","- C46.25 H36.5 B Cl0.5 Er N6 O4 -","- C370 H292 B8 Cl4 Er8 N48 O32 -","8","2","","Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1136","1144","10.1039/b400992d","","","0.71073","MoKα","","0.1919","0.0669","","","0.1324","0.1852","","","","","","0.944","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014081","19.2028","0.0012","26.5714","0.0017","18.1524","0.0012","90","","117.767","0.001","90","","8195.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.25 H36.5 B Cl0.5 N6 O4 Pr -","- C46.25 H36.5 B Cl0.5 N6 O4 Pr -","- C370 H292 B8 Cl4 N48 O32 Pr8 -","8","2","","Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1136","1144","10.1039/b400992d","","","0.71073","MoKα","","0.0743","0.0385","","","0.0667","0.0733","","","","","","0.88","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014082","19.2403","0.0018","26.613","0.002","17.8124","0.0016","90","","117.174","0.001","90","","8114","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 B Gd N6 O4 -","- C46 H36 B Gd N6 O4 -","- C368 H288 B8 Gd8 N48 O32 -","8","2","","Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1136","1144","10.1039/b400992d","","","0.71073","MoKα","","0.0655","0.0377","","","0.0737","0.0812","","","","","","0.992","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014083","19.2103","0.0001","26.641","0.0002","17.807","0.0001","90","","117.45","0.02","90","","8087.3","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.25 H36.5 B Cl0.5 Eu N6 O4 -","- C46.25 H36.5 B Cl0.5 Eu N6 O4 -","- C370 H292 B8 Cl4 Eu8 N48 O32 -","8","2","","Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1136","1144","10.1039/b400992d","","","1.54178","CuKα","","0.0294","0.0264","","","0.0662","0.0677","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014084","19.133","0.004","26.895","0.005","17.426","0.004","90","","115.92","0.03","90","","8065","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.25 H36.5 B Cl0.5 N6 O4 Yb -","- C46.25 H36.5 B Cl0.5 N6 O4 Yb -","- C370 H292 B8 Cl4 N48 O32 Yb8 -","8","2","","Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1136","1144","10.1039/b400992d","","","0.71073","MoKα","","0.0404","0.027","","","0.0583","0.0642","","","","","","0.962","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014085","17.624","0.004","26.721","0.005","19.177","0.004","90","","116.84","0.03","90","","8058","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.25 H36.5 B Cl0.5 N6 O4 Tb -","- C46.25 H36.5 B Cl0.5 N6 O4 Tb -","- C370 H292 B8 Cl4 N48 O32 Tb8 -","8","2","","Davies, Graham M.; Aarons, Rebecca J.; Motson, Graham R.; Jeffery, John C.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.","Structural and near-IR photophysical studies on ternary lanthanide complexes containing poly(pyrazolyl)borate and 1,3-diketonate ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1136","1144","10.1039/b400992d","","","0.71073","MoKα","","0.0364","0.0263","","","0.0573","0.0596","","","","","","0.937","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014086","28.918","0.004","11.559","0.002","7.9717","0.0012","90","","90","","90","","2664.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(pentafluoroethyl)diphenylphosphine","","","- C14 H10 F5 P -","- C14 H10 F5 P -","- C112 H80 F40 P8 -","8","1","","Palcic, Jason D.; Kapoor, P. N.; Roddick, Dean M.; Peters, R. Gregory","Perfluoroalkylphosphine coordination chemistry of platinum: synthesis of (C2F5)2PPh and (C2F5)PPh2 complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1644","1647","10.1039/b400995a","","","0.71073","MoKα","","0.0525","0.0402","","0.1095","0.1023","","","","1.129","1.169","1.169","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014087","8.0451","0.0013","10.2057","0.0012","10.9332","0.0015","111.426","0.008","106.208","0.012","102.847","0.011","747.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-[Ph2P(C2F5)]2PtCl2","","","- C28 H20 Cl2 F10 P2 Pt -","- C28 H20 Cl2 F10 P2 Pt -","- C28 H20 Cl2 F10 P2 Pt -","1","0.5","","Palcic, Jason D.; Kapoor, P. N.; Roddick, Dean M.; Peters, R. Gregory","Perfluoroalkylphosphine coordination chemistry of platinum: synthesis of (C2F5)2PPh and (C2F5)PPh2 complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1644","1647","10.1039/b400995a","","","0.71073","MoKα","","0.0208","0.0207","","","0.0528","0.0528","","","","","","1.072","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014088","10.1326","0.0009","12.01","0.002","11.5424","0.0011","90","","100.911","0.006","90","","1379.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-[PhP(C2F5)2]2PtCl2","","","- C20 H10 Cl2 F20 P2 Pt -","- C20 H10 Cl2 F20 P2 Pt -","- C40 H20 Cl4 F40 P4 Pt2 -","2","0.5","","Palcic, Jason D.; Kapoor, P. N.; Roddick, Dean M.; Peters, R. Gregory","Perfluoroalkylphosphine coordination chemistry of platinum: synthesis of (C2F5)2PPh and (C2F5)PPh2 complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1644","1647","10.1039/b400995a","","","0.71073","MoKα","","0.0413","0.0386","","0.1098","0.1058","","","","1.107","1.131","1.131","","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014089","25.14","0.001","10.7111","0.0004","24.272","0.001","90","","93.0975","0.0007","90","","6526.3","0.4","193","2","193","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H36 Fe2 N4 O4 S4 -","- C32 H36 Fe2 N4 O4 S4 -","- C256 H288 Fe16 N32 O32 S32 -","8","1","","Chowdhury, Somenath; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Synthesis, structure and electrochemistry of ferrocene-peptide macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1726","1730","10.1039/b401039f","","","0.71073","MoKα","","0.04","0.0349","","","0.087","0.091","","","","","","1.044","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014090","12.484","0.0002","13.304","0.0002","26.478","0.0003","90","","106.12","0.0008","90","","4224.75","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Fe N4 O4 S2 -","- C20 H24 Fe N4 O4 S2 -","- C160 H192 Fe8 N32 O32 S16 -","8","2","","Chowdhury, Somenath; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Synthesis, structure and electrochemistry of ferrocene-peptide macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1726","1730","10.1039/b401039f","","","0.71073","MoKα","","0.0883","0.0645","","","0.1087","0.1167","","","","","","1.172","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7014091","35.234","0.002","35.516","0.002","9.4836","0.0005","90","","90","","90","","11867.5","1.1","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23.5 H40 B Cl Co N6 S3 -","- C21 H34 B Cl Co N6 S3 -","- C336 H544 B16 Cl16 Co16 N96 S48 -","16","1","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.0433","0.0397","","","0.0944","0.0964","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014092","9.55","0.0019","32.73","0.007","10.41","0.002","90","","111.11","0.03","90","","3035.5","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 B Br Cl2 Co N6 S3 -","- C22 H36 B Br Cl2 Co N6 S3 -","- C88 H144 B4 Br4 Cl8 Co4 N24 S12 -","4","1","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.0695","0.0547","","","0.1689","0.1777","","","","","","1.27","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014093","10.4384","0.0012","16.788","0.002","16.2395","0.0019","90","","90.499","0.002","90","","2845.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 B Co I N6 S3 -","- C21 H34 B Co I N6 S3 -","- C84 H136 B4 Co4 I4 N24 S12 -","4","1","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.0835","0.0513","","","0.1349","0.1586","","","","","","0.855","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014094","19.4434","0.0012","19.4434","0.0012","29.922","0.004","90","","90","","90","","11311.9","1.8","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H74 B2 Co N12 S6 -","- C42 H68 B2 Co N12 S6 -","- C336 H544 B16 Co8 N96 S48 -","8","0.5","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.0579","0.0407","","","0.0992","0.1059","","","","","","0.977","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014095","34.694","0.002","40.456","0.002","19.3445","0.0013","90","","90","","90","","27152","3","243","2","243","2","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C42 H68 B2 Br Co2 F6 N12 P S6 -","- C42 H68 B2 Br Co2 F6 N12 P S6 -","- C672 H1088 B32 Br16 Co32 F96 N192 P16 S96 -","16","1","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.0983","0.0502","","","0.1279","0.1485","","","","","","1.001","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014096","11.46","0.002","11.46","0.002","44.773","0.009","90","","90","","120","","5092.3","1.6","150","2","150","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C39 H51 B Co F9 N6.5 P2.5 S3 -","- C39 H49 B Co N6 P S3 -","- C156 H196 B4 Co4 N24 P4 S12 -","4","0.333333","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.1071","0.0992","","","0.2691","0.2735","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014097","10.7637","0.0018","17.534","0.003","18.649","0.003","62.397","0.003","82.26","0.003","83.717","0.003","3086.2","0.9","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H71 B2 Co N7 P S3 -","- C65 H71 B2 Co N7 P S3 -","- C130 H142 B4 Co2 N14 P2 S6 -","2","1","","Mihalcik, David J.; White, Jennifer L.; Tanski, Joseph M.; Zakharov, Lev N.; Yap, Glenn P. A.; Incarvito, Christopher D.; Rheingold, Arnold L.; Rabinovich, Daniel","Cobalt tris(mercaptoimidazolyl)borate complexes: synthetic studies and the structure of the first cobaltaboratrane.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1626","1634","10.1039/b401056f","","","0.71073","MoKα","","0.1093","0.055","","","0.1291","0.1466","","","","","","1.008","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014098","9.416","0.005","9.416","0.005","32.226","0.005","90","0.005","90","0.005","90","0.005","2857","2","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","Ho(HBPz)3(TRP)","","","- C12.5 H12.5 B Ho0.5 N6 O -","- C12.5 H12.5 B Ho0.5 N6 O -","- C100 H100 B8 Ho4 N48 O8 -","8","1","","Caneschi, Andrea; Dei, Andrea; Gatteschi, Dante; Poussereau, Sandrine; Sorace, Lorenzo","Antiferromagnetic coupling between rare earth ions and semiquinones in a series of 1:1 complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1048","1055","10.1039/b401144a","","","0.71069","MoKα","","0.0504","0.0295","","","0.0669","0.0885","","","","","","1.312","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014099","11.904","0.002","11.935","0.002","20.007","0.004","90","","99.71","0.03","90","","2801.8","0.9","30","2","30","2","","","","","","","","7","C 1 c 1","C -2yc","9","Je52","","","- C24 H22 B2 F8 Fe N10 O2 -","- C24 H22 B2 F8 Fe N10 O2 -","- C96 H88 B8 F32 Fe4 N40 O8 -","4","1","","Money, V. A.; Elhaïk, J; Halcrow, M. A.; Howard, J. A. K.","The thermal and light induced spin transition in [FeL2](BF4)2 (L = 2,6-dipyrazol-1-yl-4-hydroxymethylpyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1516","1518","10.1039/b401155d","","","0.71073","MoKα","","0.0461","0.0449","","","0.1207","0.122","","","","","","1.064","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014100","11.974","0.002","12.001","0.002","20.014","0.004","90","","98.44","0.03","90","","2844.9","0.9","30","2","30","2","","","","","","","","7","C 1 c 1","C -2yc","9","Je52","","","- C24 H22 B2 F8 Fe N10 O2 -","- C24 H22 B2 F8 Fe N10 O2 -","- C96 H88 B8 F32 Fe4 N40 O8 -","4","1","","Money, V. A.; Elhaïk, J; Halcrow, M. A.; Howard, J. A. K.","The thermal and light induced spin transition in [FeL2](BF4)2 (L = 2,6-dipyrazol-1-yl-4-hydroxymethylpyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1516","1518","10.1039/b401155d","","","0.71073","MoKα","","0.0416","0.04","","","0.1055","0.1071","","","","","","1.029","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014101","12.115","0.002","12.118","0.002","20.414","0.004","90","","99.53","0.03","90","","2955.6","0.9","300","2","300","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H22 B2 F8 Fe N10 O2 -","- C24 H22 B2 F8 Fe N10 O2 -","- C96 H88 B8 F32 Fe4 N40 O8 -","4","1","","Money, V. A.; Elhaïk, J; Halcrow, M. A.; Howard, J. A. K.","The thermal and light induced spin transition in [FeL2](BF4)2 (L = 2,6-dipyrazol-1-yl-4-hydroxymethylpyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1516","1518","10.1039/b401155d","","","0.71073","MoKα","","0.0959","0.0622","","","0.1458","0.1635","","","","","","1.026","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014102","21.7983","0.0001","23.1131","0.0003","22.6727","0.0003","90","","97.792","0.001","90","","11317.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H270 Mo20 Na28 O229 P20 -","- C26 H44 Mo20 Na28 O215 P20 -","- C52 H88 Mo40 Na56 O430 P40 -","2","0.5","","du Peloux, Charlotte; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Sécheresse, Francis","Template synthesis of [(Mo(V)2O4)(O3PCH2PO3)]n clusters (n = 3, 4, 10): solid state and solution studies.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1259","1263","10.1039/b401250j","","","0.71073","MoKα","","0.1233","0.0554","","","0.1266","0.1562","","","","","","1.014","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014103","22.5992","0.0001","21.8196","0.0004","22.8168","0.0004","90","","91.08","0.001","90","","11249.1","0.3","296","2","296","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C20 H250 Mo20 Na30 O230 P20 -","- C20 H30 Mo20 Na28.75 O206 P20 -","- C40 H60 Mo40 Na57.5 O412 P40 -","2","0.5","","du Peloux, Charlotte; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Sécheresse, Francis","Template synthesis of [(Mo(V)2O4)(O3PCH2PO3)]n clusters (n = 3, 4, 10): solid state and solution studies.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1259","1263","10.1039/b401250j","","","0.71073","MoKα","","0.1553","0.0858","","","0.2459","0.2914","","","","","","1.038","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014104","17.8486","0.0003","14.197","0.0003","17.9916","0.0004","90","","117.98","0.001","90","","4026.11","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H152 Mo8 Na12 O118 P8 -","- C6 Mo8 Na12 O80 P8 -","- C12 Mo16 Na24 O160 P16 -","2","0.5","","du Peloux, Charlotte; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Sécheresse, Francis","Template synthesis of [(Mo(V)2O4)(O3PCH2PO3)]n clusters (n = 3, 4, 10): solid state and solution studies.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1259","1263","10.1039/b401250j","","","0.71073","MoKα","","0.0462","0.0317","","","0.0872","0.0924","","","","","","1.024","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014105","16.9461","0.0003","13.5032","0.0001","22.3135","0.0003","90","","94.908","0.001","90","","5087.2","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H42 Mo7 Na8 O52 P6 -","- C3 Mo7 Na8 O51.75 P6 -","- C12 Mo28 Na32 O207 P24 -","4","1","","du Peloux, Charlotte; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Sécheresse, Francis","Template synthesis of [(Mo(V)2O4)(O3PCH2PO3)]n clusters (n = 3, 4, 10): solid state and solution studies.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1259","1263","10.1039/b401250j","","","0.71073","MoKα","","0.0871","0.053","","","0.1344","0.1512","","","","","","1.028","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014106","20.797","0.003","13.44","0.003","22.316","0.004","90","","109.4","0.008","90","","5883.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H78 Cl6 N12 Ni3 O25 -","- C39 H78 Cl6 N12 Ni3 O25 -","- C156 H312 Cl24 N48 Ni12 O100 -","4","1","","Dong, Ying; Lindoy, Leonard F.; Turner, Peter; Wei, Gang","Three-ring, branched cyclam derivatives and their interaction with nickel(II), copper(II), zinc(II) and cadmium(II).","Dalton transactions (Cambridge, England : 2003)","2004","","8","1264","1270","10.1039/b401254m","","","0.56356","synchrotron","","0.1731","0.1446","","","0.4188","0.4341","","","","","","1.639","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014107","10.2","0.002","16.548","0.004","8.8928","0.0015","90","","90","","90","","1501","0.5","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","Trichloro(1,5-diselenacyclooctane)arsenic(III) dichloromethane solvate","","- C7 H14 As Cl5 Se2 -","- C7 H14 As Cl5 Se2 -","- C28 H56 As4 Cl20 Se8 -","4","0.5","","Hill, Nicholas J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Unusual structural trends in the [MCl3([8]aneSe2)](M = As, Sb, Bi) adducts.","Dalton transactions (Cambridge, England : 2003)","2004","","7","980","981","10.1039/b401384k","","","0.71073","MoKα","","0.065","0.0419","","","0.1015","0.1105","","","","","","1.021","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014108","9.327","0.003","12.165","0.004","10.998","0.005","90","","96.948","0.01","90","","1238.7","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trichloro(1,5-diselenacyclooctane)antimony(III)","","- C6 H12 Cl3 Sb Se2 -","- C6 H12 Cl3 Sb Se2 -","- C24 H48 Cl12 Sb4 Se8 -","4","1","","Hill, Nicholas J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Unusual structural trends in the [MCl3([8]aneSe2)](M = As, Sb, Bi) adducts.","Dalton transactions (Cambridge, England : 2003)","2004","","7","980","981","10.1039/b401384k","","","0.71073","MoKα","","0.0805","0.0494","","","0.085","0.0953","","","","","","1.056","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014109","16.276","0.003","16.276","0.003","32.367","0.01","90","","90","","120","","7426","3","293","2","293","2","","","","","","","","8","R -3 m :H","-R 3 2""","166","","","","- C18 H42 Cl5 Cu N12 O18 S4 W3 -","- C18 H18 Cl4.99 Cu N12 O18 S4 W3 -","- C108 H108 Cl29.94 Cu6 N72 O108 S24 W18 -","6","0.166667","","Hernandez-Molina, Rita; Sokolov, Maxim; Esparza, Pedro; Vicent, Cristian; Llusar, Rosa","Aqueous solution chemistry of [Mo3CuSe4]n+ (n = 4, 5) and [W3CuQ4]5+ (Q = S, Se) clusters.","Dalton transactions (Cambridge, England : 2003)","2004","","6","847","851","10.1039/b401386g","","","0.71073","MoKα","","0.0797","0.0609","","","0.1634","0.1827","","","","","","1.224","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014110","11.852","0.013","17.28","0.02","27.41","0.03","90","","99.32","0.01","90","","5540","11","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H56.96 Cu2 Fe2 N12 O17.94 -","- C48 H52 Cu2 Fe2 N12 O17.93 -","- C192 H208 Cu8 Fe8 N48 O71.72 -","4","0.5","","Cui, Xiuling; Carapuça, Helena M; Delgado, Rita; Drew, Michael G. B.; Felix, Vitor","Bis[1,1'-N,N'-(2-picolyl)aminomethyl]ferrocene as a redox sensor for transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1743","1751","10.1039/b401451k","","","0.71073","MoKα","","0.1982","0.0991","","","0.1846","0.2165","","","","","","0.988","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014111","10.7077","0.0006","13.1843","0.0008","13.3464","0.0008","90","","98.373","0.001","90","","1864.08","0.19","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cu N3 O8 P2 V -","- C16 H13 Cu N3 O8 P2 V -","- C64 H52 Cu4 N12 O32 P8 V4 -","4","1","","Ouellette, Wayne; Koo, Bon-Kweon; Burkholder, Eric; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1527","1538","10.1039/b401669f","","x-ray","0.71073","MoKα","","0.0747","0.0508","","","0.1197","0.13","","","","","","1.054","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014112","10.3815","0.0004","12.0768","0.0005","18.0377","0.0007","73.765","0.001","74.301","0.001","74.77","0.001","2047.06","0.14","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H34 Cu2 N6 O18 P4 V2 -","- C34 H34 Cu2 N6 O18 P4 V2 -","- C68 H68 Cu4 N12 O36 P8 V4 -","2","1","","Ouellette, Wayne; Koo, Bon-Kweon; Burkholder, Eric; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1527","1538","10.1039/b401669f","","x-ray","0.71073","MoKα","","0.0709","0.0451","","","0.096","0.107","","","","","","0.997","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014113","9.4256","0.0005","11.3275","0.0006","11.4321","0.0006","80.291","0.001","82.879","0.001","73.855","0.001","1151.82","0.11","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 Cu N3 O12 P2 V2 -","- C18 H16 Cu N3 O12 P2 V2 -","- C36 H32 Cu2 N6 O24 P4 V4 -","2","1","","Ouellette, Wayne; Koo, Bon-Kweon; Burkholder, Eric; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1527","1538","10.1039/b401669f","","x-ray","0.71073","MoKα","","0.0683","0.0486","","","0.1104","0.1193","","","","","","1.034","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014114","8.7056","0.0004","15.8466","0.0008","15.9357","0.0008","115.262","0.001","94.06","0.001","90","0.001","1982.05","0.17","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 Cu2 N6 O15 P4 V -","- C36 H35 Cu2 N6 O15 P4 V -","- C72 H70 Cu4 N12 O30 P8 V2 -","2","1","","Ouellette, Wayne; Koo, Bon-Kweon; Burkholder, Eric; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1527","1538","10.1039/b401669f","","x-ray","0.71073","MoKα","","0.0499","0.0394","","","0.0918","0.0972","","","","","","1.014","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014115","9.7232","0.0006","10.6767","0.0006","10.9724","0.0006","87.833","0.001","65.826","0.001","81.89","0.001","1028.53","0.1","293","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H17 Cu N3 O8 P V -","- C17 H15 Cu N3 O8 P V -","- C34 H30 Cu2 N6 O16 P2 V2 -","2","1","","Ouellette, Wayne; Koo, Bon-Kweon; Burkholder, Eric; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1527","1538","10.1039/b401669f","","x-ray","0.71073","MoKα","","0.0437","0.0364","","","0.1008","0.1051","","","","","","1.054","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014116","10.5197","0.0005","12.5297","0.0006","13.9836","0.0006","101.338","0.001","91.457","0.001","94.363","0.001","1800.41","0.14","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H37.3 Cu N3 O17.65 P4 V2 -","- C25 H30 Cu N3 O17.65 P4 V2 -","- C50 H60 Cu2 N6 O35.3 P8 V4 -","2","1","","Ouellette, Wayne; Koo, Bon-Kweon; Burkholder, Eric; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1527","1538","10.1039/b401669f","","x-ray","0.71073","MoKα","","0.0917","0.0606","","","0.139","0.1578","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014117","9.0548","0.0005","15.4425","0.0008","17.3746","0.0009","96.116","0.0001","98.686","0.0001","95.396","0.0001","2372.9","0.2","95","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 Cu2 N6 O18 P4 V2 -","- C42 H46 Cu2 N6 O18 P4 V2 -","- C84 H92 Cu4 N12 O36 P8 V4 -","2","1","","Ouellette, Wayne; Koo, Bon-Kweon; Burkholder, Eric; Golub, Vladimir; O'Connor, C J; Zubieta, Jon","Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1527","1538","10.1039/b401669f","","x-ray","0.71073","MoKα","","0.0727","0.0497","","","0.1102","0.1237","","","","","","1.049","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014118","18.825","0.004","6.9385","0.0014","6.1461","0.0012","90","","90.087","0.003","90","","802.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","HL3","","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C24 H36 N12 O4 S4 -","4","0.5","","Casas, José S; Castaño, María V; García-Tasende, María S; Rodríguez-Castellón, Enrique; Sánchez, Agustín; Sanjuán, Luisa M; Sordo, José","Reactions of thiosemicarbazones derived from beta-keto amides and beta-keto esters with Zn(II) and Cd(II) acetates: influence of metal, substitution, reagent ratio and temperature on metal-induced cyclization.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2019","2026","10.1039/b401674b","","","0.71073","MoKα","","0.0627","0.0578","","","0.1661","0.1744","","","","","","1.055","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014119","6.0107","0.0003","7.8604","0.0013","11.2049","0.0009","94.399","0.012","100.733","0.007","95.417","0.011","515.4","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","HL5","","","- C10 H9 N3 O S -","- C10 H9 N3 O S -","- C20 H18 N6 O2 S2 -","2","1","","Casas, José S; Castaño, María V; García-Tasende, María S; Rodríguez-Castellón, Enrique; Sánchez, Agustín; Sanjuán, Luisa M; Sordo, José","Reactions of thiosemicarbazones derived from beta-keto amides and beta-keto esters with Zn(II) and Cd(II) acetates: influence of metal, substitution, reagent ratio and temperature on metal-induced cyclization.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2019","2026","10.1039/b401674b","","","1.5418","CuKα","","0.0584","0.0438","","","0.1242","0.1308","","","","","","1.158","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014120","9.3579","0.0015","9.3579","0.0015","22.554","0.005","90","","90","","90","","1975.1","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","[Zn(L4)2]0.5(H2O)","","","- C12 H17 N6 O4.5 S2 Zn -","- C12 H17 N6 O4.5 S2 Zn -","- C48 H68 N24 O18 S8 Zn4 -","4","0.5","","Casas, José S; Castaño, María V; García-Tasende, María S; Rodríguez-Castellón, Enrique; Sánchez, Agustín; Sanjuán, Luisa M; Sordo, José","Reactions of thiosemicarbazones derived from beta-keto amides and beta-keto esters with Zn(II) and Cd(II) acetates: influence of metal, substitution, reagent ratio and temperature on metal-induced cyclization.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2019","2026","10.1039/b401674b","","","0.71073","MoKα","","0.0418","0.0313","","","0.0823","0.0854","","","","","","1.149","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014121","15.665","0.003","20.27","0.004","8.1761","0.0017","90","","100.03","0.003","90","","2556.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","e2cd","","","- C16 H30 Cd N6 O5 S4 -","- C16 H30 Cd N6 O5 S4 -","- C64 H120 Cd4 N24 O20 S16 -","4","0.5","","Casas, José S; Castaño, María V; García-Tasende, María S; Rodríguez-Castellón, Enrique; Sánchez, Agustín; Sanjuán, Luisa M; Sordo, José","Reactions of thiosemicarbazones derived from beta-keto amides and beta-keto esters with Zn(II) and Cd(II) acetates: influence of metal, substitution, reagent ratio and temperature on metal-induced cyclization.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2019","2026","10.1039/b401674b","","","0.71073","MoKα","","0.0286","0.0261","","","0.0718","0.0735","","","","","","1.049","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014122","10.636","0.003","13.317","0.003","20.713","0.005","90","","91.174","0.005","90","","2933.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cd(L5)2(dmso)]dmso","","","- C24 H28 Cd N6 O4 S4 -","- C24 H28 Cd N6 O4 S4 -","- C96 H112 Cd4 N24 O16 S16 -","4","1","","Casas, José S; Castaño, María V; García-Tasende, María S; Rodríguez-Castellón, Enrique; Sánchez, Agustín; Sanjuán, Luisa M; Sordo, José","Reactions of thiosemicarbazones derived from beta-keto amides and beta-keto esters with Zn(II) and Cd(II) acetates: influence of metal, substitution, reagent ratio and temperature on metal-induced cyclization.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2019","2026","10.1039/b401674b","","","0.71073","MoKα","","0.092","0.0448","","","0.1041","0.1227","","","","","","0.952","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014123","12.5769","0.001","19.3034","0.0015","19.3348","0.0016","60.187","0.002","86.864","0.002","80.538","0.002","4015.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H128 B8 Cu8 F32 N24 O24 -","- C160 H112 B8 Cu8 F32 N24 O24 -","- C160 H112 B8 Cu8 F32 N24 O24 -","1","0.5","","Ghoshal, Debajyoti; Maji, Tapas Kumar; Mostafa, Golam; Sain, Saugata; Lu, Tian-Huey; Ribas, Joan; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Polymeric networks of copper(II) using succinate and aromatic N-N donor ligands: synthesis, crystal structure, magnetic behaviour and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1687","1695","10.1039/b401738b","","","0.71073","MoKα","","0.2107","0.0598","","","0.0934","0.1212","","","","","","0.833","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014124","7.0641","0.0006","9.841","0.0008","10.4885","0.0009","72.079","0.002","73.176","0.002","74.629","0.001","651.55","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N3 O6 -","- C12 H12 Cu N3 O6 -","- C24 H24 Cu2 N6 O12 -","2","1","","Ghoshal, Debajyoti; Maji, Tapas Kumar; Mostafa, Golam; Sain, Saugata; Lu, Tian-Huey; Ribas, Joan; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Polymeric networks of copper(II) using succinate and aromatic N-N donor ligands: synthesis, crystal structure, magnetic behaviour and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1687","1695","10.1039/b401738b","","","0.71073","MoKα","","0.0797","0.059","","","0.1295","0.1371","","","","","","1.092","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014125","6.9386","0.0008","10.3463","0.0014","10.8572","0.0017","69.734","0.011","81.354","0.011","75.687","0.01","706.68","0.18","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu N3 O6 -","- C14 H12 Cu N3 O6 -","- C28 H24 Cu2 N6 O12 -","2","1","","Ghoshal, Debajyoti; Maji, Tapas Kumar; Mostafa, Golam; Sain, Saugata; Lu, Tian-Huey; Ribas, Joan; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Polymeric networks of copper(II) using succinate and aromatic N-N donor ligands: synthesis, crystal structure, magnetic behaviour and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1687","1695","10.1039/b401738b","","","0.71073","MoKα","","0.0705","0.0332","","","0.0827","0.0949","","","","","","0.991","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014126","16.947","0.004","12.566","0.003","14.539","0.004","90","","108.46","0.02","90","","2936.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl2 Cu2 N4 O13.5 -","- C24 H23 Cl2 Cu2 N4 O13.5 -","- C96 H92 Cl8 Cu8 N16 O54 -","4","1","","Ghoshal, Debajyoti; Maji, Tapas Kumar; Mostafa, Golam; Sain, Saugata; Lu, Tian-Huey; Ribas, Joan; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Polymeric networks of copper(II) using succinate and aromatic N-N donor ligands: synthesis, crystal structure, magnetic behaviour and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1687","1695","10.1039/b401738b","","","0.71073","mokα","","0.0779","0.0542","","","0.1465","0.1608","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014127","12.37","0.003","12.431","0.002","13.804","0.007","92.89","0.03","95.5","0.03","100.41","0.02","2073.1","1.2","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H29 F18 K N6 O0.5 P3 Ru -","- C34 H28 F18 K N6 O0.5 P3 Ru -","- C68 H56 F36 K2 N12 O P6 Ru2 -","2","1","","Kepert, Christopher M.; Bond, Alan M.; Deacon, Glen B.; Spiccia, Leone; Skelton, Brian W.; White, Allan H.","The synthesis and structure of heteroleptic tris(diimine)ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1766","1774","10.1039/b401761g","","","0.71073","MoKα","","0.11","0.055","","0.077","","0.063","","","1.121","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014128","12.165","0.002","12.349","0.002","13.69","0.002","92.701","0.002","95.216","0.003","100.219","0.002","2011.4","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H29 F18 K N6 O0.5 P3 Ru -","- C34 H28 F18 K N6 O0.5 P3 Ru -","- C68 H56 F36 K2 N12 O P6 Ru2 -","2","1","","Kepert, Christopher M.; Bond, Alan M.; Deacon, Glen B.; Spiccia, Leone; Skelton, Brian W.; White, Allan H.","The synthesis and structure of heteroleptic tris(diimine)ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1766","1774","10.1039/b401761g","","","0.71073","MoKα","","0.075","0.058","","0.085","","0.077","","","1.081","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014129","10.047","0.001","20.372","0.001","18.205","0.002","90","","104.852","0.001","90","","3601.7","0.6","273.2","","273.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl2 N6 O10 Ru -","- C36 H28 Cl2 N6 O10 Ru -","- C144 H112 Cl8 N24 O40 Ru4 -","4","1","","Kepert, Christopher M.; Bond, Alan M.; Deacon, Glen B.; Spiccia, Leone; Skelton, Brian W.; White, Allan H.","The synthesis and structure of heteroleptic tris(diimine)ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1766","1774","10.1039/b401761g","","","0.7107","MoKα","","","0.0842","","","0.081","","","","","2.536","2.536","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014130","8.956","0.001","12.198","0.001","16.573","0.001","94.651","0.001","95.88","0.001","95.365","0.001","1785.6","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H35 Cl2 N7 O9.5 Ru -","- C35.5 H32 Cl2 N7 O9.5 Ru -","- C71 H64 Cl4 N14 O19 Ru2 -","2","1","","Kepert, Christopher M.; Bond, Alan M.; Deacon, Glen B.; Spiccia, Leone; Skelton, Brian W.; White, Allan H.","The synthesis and structure of heteroleptic tris(diimine)ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1766","1774","10.1039/b401761g","","","0.71073","MoKα","","0.17","0.064","","0.14","","0.093","","","1.093","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014131","12.1746","0.0003","11.8272","0.0003","28.4782","0.0008","90","","100.655","0.001","90","","4029.92","0.18","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 F12 N6 O P2 Ru -","- C38 H37 F12 N6 O P2 Ru -","- C152 H148 F48 N24 O4 P8 Ru4 -","4","1","","Kepert, Christopher M.; Bond, Alan M.; Deacon, Glen B.; Spiccia, Leone; Skelton, Brian W.; White, Allan H.","The synthesis and structure of heteroleptic tris(diimine)ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1766","1774","10.1039/b401761g","","","0.71073","MoKα","","0.189","0.056","","0.094","","0.064","","","1.095","","","1.205","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014132","12.621","0.003","13.445","0.003","14.241","0.004","81.781","0.004","64.662","0.004","68.402","0.004","2030.4","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H33 F12 N7 O P2 Ru -","- C35 H29 F12 N7 O P2 Ru -","- C70 H58 F24 N14 O2 P4 Ru2 -","2","1","","Kepert, Christopher M.; Bond, Alan M.; Deacon, Glen B.; Spiccia, Leone; Skelton, Brian W.; White, Allan H.","The synthesis and structure of heteroleptic tris(diimine)ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1766","1774","10.1039/b401761g","","","0.71073","MoKα","","0.103","0.063","","0.098","","0.085","","","1.004","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014133","29.007","0.003","11.068","0.001","23.383","0.002","90","","99.769","0.001","90","","7398.2","1.2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H33.5 Cl2 N8.5 O8 Ru -","- C37 H33.5 Cl2 N8.5 O8 Ru -","- C296 H268 Cl16 N68 O64 Ru8 -","8","1","","Kepert, Christopher M.; Bond, Alan M.; Deacon, Glen B.; Spiccia, Leone; Skelton, Brian W.; White, Allan H.","The synthesis and structure of heteroleptic tris(diimine)ruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1766","1774","10.1039/b401761g","","","0.71073","MoKα","","0.096","0.067","","0.121","","0.102","","","1.088","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7014134","10.381","0.006","11.929","0.005","19.735","0.009","83.37","0.02","89.08","0.04","81.58","0.04","2401","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 Ag2 Cl2 N8 O10 -","- C42 H56 Ag2 Cl2 N8 O10 -","- C84 H112 Ag4 Cl4 N16 O20 -","2","1","","Wang, Zhi-Lin; Luo, Qin-Hui; Duan, Chun-Ying; Shen, Cheng-Yu; Li, Yi-Zhi","A study on oxygen insertion in dinuclear silver cryptates.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1104","1111","10.1039/b401776e","","","0.71073","MoKα","","0.0646","0.0479","","","0.1428","0.1534","","","","","","1.013","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014135","10.417","0.002","11.857","0.003","19.818","0.006","83.556","0.019","89.202","0.019","81.774","0.015","2407.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H114 Ag4 Cl4 N16 O19 -","- C84 H114 Ag4 Cl4 N16 O19 -","- C84 H114 Ag4 Cl4 N16 O19 -","1","0.5","","Wang, Zhi-Lin; Luo, Qin-Hui; Duan, Chun-Ying; Shen, Cheng-Yu; Li, Yi-Zhi","A study on oxygen insertion in dinuclear silver cryptates.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1104","1111","10.1039/b401776e","","","0.71073","MoKα","","0.0585","0.0563","","","0.1414","0.1417","","","","","","1.06","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014136","18.2474","0.0006","9.4918","0.0002","15.6567","0.0007","90","","102.837","0.005","90","","2643.97","0.17","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 Cl2 N2 Ni O4 P -","- C22 H33 Cl2 N2 Ni O4 P -","- C88 H132 Cl8 N8 Ni4 O16 P4 -","4","1","","Speiser, Fredy; Braunstein, Pierre; Saussine, Lucien","Nickel and iron complexes with oxazoline- or pyridine-phosphonite ligands; synthesis, structure and application for the catalytic oligomerisation of ethylene.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1539","1545","10.1039/b401792g","","","0.71073","Mo-Kα","","0.062","0.033","","0.107","","0.048","","","1.242","","","1.019","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014137","12.5227","0.0003","9.4272","0.0002","20.3311","0.0005","90","","90","","90","","2400.17","0.1","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl4 Fe2 N2 O4 -","- C16 H28 Cl4 Fe2 N2 O4 -","- C64 H112 Cl16 Fe8 N8 O16 -","4","0.5","","Speiser, Fredy; Braunstein, Pierre; Saussine, Lucien","Nickel and iron complexes with oxazoline- or pyridine-phosphonite ligands; synthesis, structure and application for the catalytic oligomerisation of ethylene.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1539","1545","10.1039/b401792g","","","0.71073","MoKα","","0.0577","0.0362","","","0.0742","0.0837","","","","","","1.067","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014138","8.9619","0.0002","12.0924","0.0003","13.6786","0.0004","82.383","0.001","86.768","0.0012","78.8418","0.0008","1440.79","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 Mn5 O18 S8 -","- C56 H34 Mn5 O18 S8 -","- C56 H34 Mn5 O18 S8 -","1","0.5","","Humphrey, Simon M.; Mole, Richard A.; Rawson, Jeremy M.; Wood, Paul T.","Hydrothermal synthesis and magnetic properties of novel Mn(II) and Zn(II) materials with thiolato-carboxylate donor ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1670","1678","10.1039/b401887g","","","0.71073","MoKα","","0.0662","0.0428","","","0.0819","0.0927","","","","","","1.035","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014139","27.0809","0.0007","7.5696","0.0004","7.104","0.0004","90","","93.11","0.03","90","","1454.12","0.13","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 O2 S Zn -","- C7 H4 O2 S Zn -","- C56 H32 O16 S8 Zn8 -","8","1","","Humphrey, Simon M.; Mole, Richard A.; Rawson, Jeremy M.; Wood, Paul T.","Hydrothermal synthesis and magnetic properties of novel Mn(II) and Zn(II) materials with thiolato-carboxylate donor ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1670","1678","10.1039/b401887g","","","0.71073","MoKα","","0.0584","0.0456","","","0.0987","0.1033","","","","","","1.199","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014140","9.2801","0.0002","10.5377","0.0002","16.8864","0.0004","95.1726","0.0011","97.8935","0.0011","102.707","0.0009","1583.2","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Mn2 N4 O16 S4 -","- C24 H28.04 Mn2 N4 O16 S4 -","- C48 H56.08 Mn4 N8 O32 S8 -","2","1","","Humphrey, Simon M.; Mole, Richard A.; Rawson, Jeremy M.; Wood, Paul T.","Hydrothermal synthesis and magnetic properties of novel Mn(II) and Zn(II) materials with thiolato-carboxylate donor ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1670","1678","10.1039/b401887g","","","0.71073","MoKα","","0.0728","0.042","","","0.0954","0.1102","","","","","","1.053","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014141","14.502","0.002","9.1318","0.0015","19.697","0.003","90","","103.82","0.003","90","","2532.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H41 Cl Fe O2 P4 -","- C18 H41 Cl Fe O2 P4 -","- C72 H164 Cl4 Fe4 O8 P16 -","4","1","","Field, Leslie D.; Li, Hsiu L.; Messerle, Barbara A.; Smernik, Ronald J.; Turner, Peter","An iron(II) dihydrogen hydrido complex containing the tripodal tetraphosphine ligand P(CH2CH2PMe2)3.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1418","1423","10.1039/b401954g","","","0.71073","MoKα","","0.1266","0.0934","","","0.2483","0.2708","","","","","","1.242","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014142","7.4103","0.0001","11.7716","0.0001","24.7644","0.0003","90","","90","","90","","2160.23","0.04","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 O3 P -","- C12 H9 O3 P -","- C96 H72 O24 P8 -","8","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0327","0.0324","","","0.0844","0.0848","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014143","22.921","0.0001","8.874","0.0001","8.715","0.0003","90","","90","","90","","1772.64","0.06","143","2","143","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cl2 N P S3 -","- C14 H12 Cl2 N P S3 -","- C56 H48 Cl8 N4 P4 S12 -","4","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0293","0.0288","","","0.0742","0.0751","","","","","","1.05","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014144","12.0523","0.0001","13.459","0.0002","13.5631","0.0001","90","","114.324","0.0006","90","","2004.8","0.04","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br O P S4 -","- C17 H16 Br O P S4 -","- C68 H64 Br4 O4 P4 S16 -","4","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.045","0.0433","","","0.1191","0.121","","","","","","1.061","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014145","8.9753","0.0001","9.4288","0.0002","24.6522","0.0005","94.7514","0.0006","90.4364","0.0006","103.12","0.0015","2024.04","0.06","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 N O2 P S4 -","- C19 H16 N O2 P S4 -","- C76 H64 N4 O8 P4 S16 -","4","2","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0429","0.0381","","","0.097","0.1013","","","","","","1.045","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014146","16.715","0.0003","14.863","0.0003","18.135","0.0002","90","","90","","90","","4505.37","0.13","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N O5 P S -","- C25 H22 N O5 P S -","- C200 H176 N8 O40 P8 S8 -","8","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0386","0.0372","","","0.0982","0.0997","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014147","17.9435","0.0002","12.2426","0.0001","18.7133","0.0003","90","","90","","90","","4110.85","0.09","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N O2 P S -","- C25 H20 N O2 P S -","- C200 H160 N8 O16 P8 S8 -","8","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.033","0.032","","","0.0828","0.0836","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014148","7.7909","0.0001","8.1618","0.0001","17.2498","0.0003","90","","90","","90","","1096.88","0.03","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 As O3 -","- C12 H9 As O3 -","- C48 H36 As4 O12 -","4","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0178","0.0177","","","0.0467","0.0468","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014149","17.374","0.0002","8.6405","0.0001","12.6277","0.0002","90","","114.723","0.001","90","","1721.91","0.04","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 As O5 -","- C20 H15 As O5 -","- C80 H60 As4 O20 -","4","0.5","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0354","0.0353","","","0.0912","0.0913","","","","","","1.051","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014150","10.8094","0.0008","16.4797","0.0012","18.1913","0.0013","90","","107.031","0.001","90","","3098.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Cl N6 O5 Zn -","- C28 H41 Cl N6 O5 Zn -","- C112 H164 Cl4 N24 O20 Zn4 -","4","1","","Mareque-Rivas, Juan C; Prabaharan, Ravi; Parsons, Simon","Quantifying the relative contribution of hydrogen bonding and hydrophobic environments, and coordinating groups, in the zinc(II)-water acidity by synthetic modelling chemistry.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1648","1655","10.1039/b402084g","","","0.71073","MoKα","","0.1003","0.0777","","","0.1694","0.1801","","","","","","1.17","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014151","12.7118","0.0012","12.771","0.0012","13.5187","0.0013","101.784","0.002","96.264","0.002","110.277","0.001","1976.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H55 Cl N8 O5 Zn -","- C35 H55 Cl N8 O5 Zn -","- C70 H110 Cl2 N16 O10 Zn2 -","2","1","","Mareque-Rivas, Juan C; Prabaharan, Ravi; Parsons, Simon","Quantifying the relative contribution of hydrogen bonding and hydrophobic environments, and coordinating groups, in the zinc(II)-water acidity by synthetic modelling chemistry.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1648","1655","10.1039/b402084g","","","0.71073","MoKα","","0.0721","0.0599","","","0.1412","0.1506","","","","","","1.043","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014152","9.4035","0.0001","9.5408","0.0001","10.0344","0.0002","67.3988","0.0006","68.9532","0.0006","82.598","0.001","775.63","0.02","150","2","150","2","","","","","","","","6","P -1","-P 1","2","trans-[PtCl4{NHC(Et)ONC(Me)C(Ph)NNH2}2]","","","- C24 H32 Cl4 N8 O2 Pt -","- C24 H32 Cl4 N8 O2 Pt -","- C24 H32 Cl4 N8 O2 Pt -","1","0.5","","Garnovskii, Dmitrii A.; Pombeiro, Armando J. L.; Haukka, Matti; Sobota, Piotr; Kukushkin, Vadim Yu","Regioselective HON-addition of bifunctional hydrazone oximes to Pt(IV)-bound nitriles.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1097","1103","10.1039/b402105c","","","0.71073","MoKα","","0.0173","0.0173","","","0.0401","0.0401","","","","","","1.111","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014153","8.0753","0.0002","8.6907","0.0003","10.6485","0.0004","97.916","0.001","104.145","0.001","98.463","0.002","704.91","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","trans-[PtCl2{NHC(Et)ONC(Me)C(ph)CCH2}2]","","","- C24 H32 Cl2 N8 O2 Pt -","- C24 H32 Cl2 N8 O2 Pt -","- C24 H32 Cl2 N8 O2 Pt -","1","0.5","","Garnovskii, Dmitrii A.; Pombeiro, Armando J. L.; Haukka, Matti; Sobota, Piotr; Kukushkin, Vadim Yu","Regioselective HON-addition of bifunctional hydrazone oximes to Pt(IV)-bound nitriles.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1097","1103","10.1039/b402105c","","","0.71073","MoKα","","0.0274","0.026","","","0.0518","0.0523","","","","","","1.031","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014154","8.7209","0.0002","10.9317","0.0002","11.9651","0.0002","109.488","0.001","101.502","0.001","100.261","0.001","1016.11","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","trans-[PtCl2{NHC(Et)ONC(Me)C(Ph)NNCH(C6H3-2-OH-5-NO2}2]","","","- C38 H38 Cl2 N10 O8 Pt -","- C38 H38 Cl2 N10 O8 Pt -","- C38 H38 Cl2 N10 O8 Pt -","1","0.5","","Garnovskii, Dmitrii A.; Pombeiro, Armando J. L.; Haukka, Matti; Sobota, Piotr; Kukushkin, Vadim Yu","Regioselective HON-addition of bifunctional hydrazone oximes to Pt(IV)-bound nitriles.","Dalton transactions (Cambridge, England : 2003)","2004","","7","1097","1103","10.1039/b402105c","","","0.71073","MoKα","","0.0323","0.03","","","0.0614","0.0626","","","","","","1.063","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014155","10.8141","0.0015","12.8864","0.0018","17.994","0.003","101.346","0.005","107.1","0.005","92.913","0.005","2334","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H70 Cl7 O2 P3 Pt -","- C38 H70 Cl7 O2 P3 Pt -","- C76 H140 Cl14 O4 P6 Pt2 -","2","1","","Mastrorilli, Piero; Latronico, Mario; Nobile, Cosimo Francesco; Suranna, Gian Paolo; Fanizzi, Francesco Paolo; Englert, Ulli; Ciccarella, Giuseppe","PtCl(PHCy2)[(PCy2O)2H]: a hydrogen bonded phosphinito complex obtained by direct reaction of molecular oxygen with a terminal phosphido complex.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1117","1119","10.1039/b402180k","","","0.71073","MoKα","","0.1098","0.0663","","","0.1503","0.1695","","","","","","1.036","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014156","8.181","0.003","35.49","0.007","8.395","0.002","90","","95.35","0.02","90","","2426.8","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 N8 O6 Rh -","- C19 H27 N8 O6 Rh -","- C76 H108 N32 O24 Rh4 -","4","2","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.0598","0.0542","","","0.1447","0.1519","","","","","","1.046","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014157","16.0347","0.0013","8.5889","0.0007","13.5053","0.0008","90","","90","","90","","1860","0.2","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H18 N3 O Rh S3 -","- C13 H18 N3 O Rh S3 -","- C52 H72 N12 O4 Rh4 S12 -","4","1","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.0244","0.0224","","","0.0575","0.0589","","","","","","1.064","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014158","24.219","0.003","11.5763","0.0011","12.363","0.002","90","","90","","90","","3466.2","0.8","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H36 Cl2 N6 O12 Rh2 -","- C25 H36 Cl2 N6 O12 Rh2 -","- C100 H144 Cl8 N24 O48 Rh8 -","4","1","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.0526","0.038","","","0.0927","0.1048","","","","","","1.093","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014159","15.916","0.003","16.522","0.003","21.118","0.003","92.77","0.01","110.928","0.013","118.452","0.011","4396","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H78 F12 N16 O13 Rh4 S4 -","- C64 H76 F12 N16 O13 Rh4 S4 -","- C128 H152 F24 N32 O26 Rh8 S8 -","2","1","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.0739","0.0515","","","0.135","0.1506","","","","","","1.039","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014160","15.922","0.002","16.463","0.002","21.07","0.005","92.647","0.004","111.143","0.004","118.384","0.003","4369.6","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H80 F12 N8 O18 Rh4 S4 -","- C68 H76 F12 N8 O18 Rh4 S4 -","- C136 H152 F24 N16 O36 Rh8 S8 -","2","1","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.1839","0.0713","","","0.1617","0.2107","","","","","","0.896","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014161","9.4412","0.0017","9.4446","0.0011","12.73","0.002","79.171","0.01","76.168","0.013","75.06","0.011","1055.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 N4 Rh S3 -","- C19 H21 N4 Rh S3 -","- C38 H42 N8 Rh2 S6 -","2","1","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.0417","0.036","","","0.0871","0.0911","","","","","","1.05","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014162","8.305","0.003","12.912","0.003","16.754","0.005","101.108","0.014","101.1","0.02","92.26","0.02","1724.5","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H31 F6 N7 O6 Rh S2 -","- C26 H31 F6 N7 O6 Rh S2 -","- C52 H62 F12 N14 O12 Rh2 S4 -","2","1","","Han, Won Seok; Lee, Soon W.","Various forms of linear dipyridyls in discrete rectangles, dinuclear rods, and one-dimensional networks containing (eta5-pentamethylcyclopentadienyl)rhodium(III).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1656","1663","10.1039/b402201g","","","0.71073","MoKα","","0.1111","0.0612","","","0.1226","0.1438","","","","","","1.008","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014163","20.0636","0.0006","20.0636","0.0006","8.9176","0.0002","90","","90","","90","","3589.76","0.17","180","2","180","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C64 H76 Li4 O4 P8 -","- C64 H76 Li4 O4 P8 -","- C128 H152 Li8 O8 P16 -","2","0.25","","Garcia, Felipe; Humphrey, Simon M.; Kowenicki, Richard A.; McPartlin, Mary; Wright, Dominic S.","Selective formation of the [PhP(H)-PPh]- anion in the reaction of PhPHLi with MeAlCl(2); synthesis and structure of the unusual tetramer [(PhP(H)-PPh)Li.thf]4.","Dalton transactions (Cambridge, England : 2003)","2004","","7","977","979","10.1039/b402295e","","","0.71069","MoKα","","0.0626","0.057","","","0.18","0.1885","","","","","","1.071","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014164","8.5913","0.0005","11.8796","0.0008","13.3003","0.0009","114.75","0.003","102.93","0.004","92.017","0.004","1188.69","0.14","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(Ph2P(O)C6H4NHCH(tBu)2)","","","- C27 H34 N O P -","- C27 H34 N O P -","- C54 H68 N2 O2 P2 -","2","1","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.","Early-late, mixed-metal compounds supported by amidophosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1960","1970","10.1039/b402409e","","x-ray","0.7107","MoKα","","0.0597","0.0437","","","0.0957","0.1037","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014165","28.5865","0.0016","12.244","0.0004","32.9959","0.0019","90","","90.091","0.002","90","","11549","1","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","((Li(Ph2PC6H3NCHtBu2))4).3(pentane)","","","- C123 H168 Li4 N4 P4 -","- C123 H132 Li4 N4 P4 -","- C492 H528 Li16 N16 P16 -","4","0.5","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.","Early-late, mixed-metal compounds supported by amidophosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1960","1970","10.1039/b402409e","","x-ray","0.71073","MoKα","","0.1212","0.0717","","","0.1735","0.1986","","","","","","1.042","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014166","11.7085","0.0011","16.977","0.0015","17.5902","0.0016","108.187","0.002","108.333","0.002","104.021","0.002","2919.9","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H70 Cl7 N2 O P2 Rh Ti -","- C57 H70 Cl7 N2 O P2 Rh Ti -","- C114 H140 Cl14 N4 O2 P4 Rh2 Ti2 -","2","1","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.","Early-late, mixed-metal compounds supported by amidophosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1960","1970","10.1039/b402409e","","","0.71073","MoKα","","0.0669","0.0411","","","0.0919","0.1045","","","","","","1.009","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014167","14.2195","0.0006","14.8092","0.0009","15.402","0.0011","114.459","0.002","99.179","0.004","95.075","0.004","2871.1","0.3","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","(PtCl2(P(C6H5)2(C6H4NHCHtBu2))2).2(CH2Cl2)","","","- C56 H72 Cl6 N2 P2 Pt -","- C56 H72 Cl6 N2 P2 Pt -","- C112 H144 Cl12 N4 P4 Pt2 -","2","1","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.","Early-late, mixed-metal compounds supported by amidophosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1960","1970","10.1039/b402409e","","x-ray","0.71073","MoKα","","0.0966","0.0618","","","0.1153","0.1295","","","","","","1.011","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014168","13.9191","0.0007","16.3451","0.0005","16.8451","0.0008","83.18","0.003","67.379","0.002","67.954","0.003","3277.5","0.3","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","[PtCl2{PPh2C6H4NCHtBu2}2TiCl2].4(CH2Cl2)","","","- C58 H74 Cl12 N2 P2 Pd Ti -","- C58 H74 Cl12 N2 P2 Pd Ti -","- C116 H148 Cl24 N4 P4 Pd2 Ti2 -","2","1","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.","Early-late, mixed-metal compounds supported by amidophosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1960","1970","10.1039/b402409e","","x-ray","0.71073","MoKα","","0.101","0.0772","","","0.2059","0.2263","","","","","","1.019","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014169","13.8106","0.0006","15.2893","0.001","19.26","0.0013","107.863","0.002","97.797","0.004","103.977","0.004","3658","0.4","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","[PtCl2{PPh2C6H3NCHiPr2}2TiCl2].4(C6D6)","","","- C78 H66 Cl4 D24 N2 P2 Pt Ti -","- C78 H90 Cl4 N2 P2 Pt Ti -","- C156 H180 Cl8 N4 P4 Pt2 Ti2 -","2","1","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.","Early-late, mixed-metal compounds supported by amidophosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1960","1970","10.1039/b402409e","","x-ray","0.71073","MoKα","","0.0685","0.052","","","0.1209","0.1307","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014170","13.7651","0.0003","23.4683","0.0006","22.7171","0.0005","90","","94.088","0.002","90","","7319.9","0.3","173","2","173","2","","","","","","","synthesis as described","10","P 1 21/n 1","-P 2yn","14","{(OC)Pt{PPh2C6H4NSiMe3}3TiCl].2(C6D6)","","","- C76 H69 Cl D12 N3 O P3 Pt Si3 Ti -","- C76 H81 Cl N3 O P3 Pt Si3 Ti -","- C304 H324 Cl4 N12 O4 P12 Pt4 Si12 Ti4 -","4","1","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.","Early-late, mixed-metal compounds supported by amidophosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1960","1970","10.1039/b402409e","","x-ray","0.71073","MoKα","","0.0783","0.0506","","","0.1104","0.1216","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014171","13.689","0.0013","16.2783","0.0017","16.5855","0.0015","83.286","0.005","68.986","0.005","69.327","0.005","3227.7","0.6","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","[Me2Pt{PPh2C6H4NCHtBu2}2TiCl2].3.5(CH2Cl2)","","","- C59.5 H79 Cl9 N2 P2 Pt Ti -","- C59 H72 Cl9 N2 P2 Pt Ti -","- C118 H144 Cl18 N4 P4 Pt2 Ti2 -","2","1","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.","Early-late, mixed-metal compounds supported by amidophosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1960","1970","10.1039/b402409e","","x-ray","0.71073","MoKα","","0.0751","0.0623","","","0.1633","0.1703","","","","","","1.381","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014172","13.6945","0.0007","24.8174","0.0013","23.0266","0.0012","90","","92.322","0.001","90","","7819.4","0.7","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H74 Cl8 N4 Na2 O26 Pd2 -","- C71 H70 Cl8 N4 Na2 O26 Pd2 -","- C284 H280 Cl32 N16 Na8 O104 Pd8 -","4","1","","Yoon, Il; Goto, Midori; Shimizu, Toshimi; Lee, Shim Sung; Asakawa, Masumi","Synthesis and characterisation of macrocyclic palladium(II)-sodium(I) complexes: generation of an unusual metal-mediated electron delocalisation.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1513","1515","10.1039/b402507e","","","0.71073","MoKα","","0.1886","0.0865","","","0.2176","0.2723","","","","","","0.999","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014173","11.3041","0.0009","12.1883","0.001","15.3961","0.0013","73.037","0.002","80.723","0.002","67.275","0.002","1868.6","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 N3 Na O9 Pd -","- C39 H41 N3 Na O9 Pd -","- C78 H82 N6 Na2 O18 Pd2 -","2","1","","Yoon, Il; Goto, Midori; Shimizu, Toshimi; Lee, Shim Sung; Asakawa, Masumi","Synthesis and characterisation of macrocyclic palladium(II)-sodium(I) complexes: generation of an unusual metal-mediated electron delocalisation.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1513","1515","10.1039/b402507e","","","0.71073","MoKα","","0.0395","0.0363","","","0.1022","0.1047","","","","","","1.067","","","","has coordinates,has disorder","179845","2020-10-21","18:00:00",""
"7014174","9.473","0.002","11.958","0.002","13.066","0.003","90","","90","","90","","1480.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 F4 N6 S -","- C9 H18 F4 N6 S -","- C36 H72 F16 N24 S4 -","4","1","","Kingston, Melanie; Chen, Shan-Jia; Lork, Enno; Mews, Rüdiger","Anionic triazine systems.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1400","1404","10.1039/b402527j","","","0.71073","MoKα","","0.049","0.0428","","","0.113","0.1195","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014175","11.513","0.014","9.144","0.008","13.527","0.003","90","","91.35","0.06","90","","1424","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 F2 N6 O S -","- C9 H18 F2 N6 O S -","- C36 H72 F8 N24 O4 S4 -","4","1","","Kingston, Melanie; Chen, Shan-Jia; Lork, Enno; Mews, Rüdiger","Anionic triazine systems.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1400","1404","10.1039/b402527j","","","0.71073","MoKα","","0.1186","0.0706","","","0.1858","0.2135","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014176","9.118","0.001","11.388","0.002","9.232","0.001","90","","95.11","0.01","90","","954.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H18 F10 N6 S -","- C12 H18 F10 N6 S -","- C24 H36 F20 N12 S2 -","2","0.5","","Kingston, Melanie; Chen, Shan-Jia; Lork, Enno; Mews, Rüdiger","Anionic triazine systems.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1400","1404","10.1039/b402527j","","","0.71073","MoKα","","0.1109","0.0813","","","0.2249","0.2504","","","","","","1.046","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014177","8.8448","0.0014","11.6601","0.0012","19.941","0.002","90","","102.494","0.01","90","","2007.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 F10 N6 S -","- C12 H18 F10 N6 S -","- C48 H72 F40 N24 S4 -","4","1","","Kingston, Melanie; Chen, Shan-Jia; Lork, Enno; Mews, Rüdiger","Anionic triazine systems.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1400","1404","10.1039/b402527j","","","0.71073","MoKα","","0.0606","0.0429","","","0.0977","0.1072","","","","","","1.057","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014178","10.462","0.002","11.035","0.005","18.321","0.006","90","","90","","90","","2115.1","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Cl2 Co N7 O10 -","- C12 H26 Cl2 Co N7 O10 -","- C48 H104 Cl8 Co4 N28 O40 -","4","1","","Saha, Manas K.; Mukhopadhyay, Uday; Bernal, Ivan","Cleavage of the peptide bond of beta-alanyl-L-histidine (carnosine) induced by a Co(III)-amine complexes: reaction, structure and mechanism.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1466","1473","10.1039/b402571g","","x-ray","0.71073","MoKα","","0.055","0.0409","","","0.1093","0.1176","","","","","","1.018","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014179","9.103","0.005","13.651","0.002","15.199","0.004","90","","102.5","0.03","90","","1843.9","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H28 Cl2 Co N5 O8 -","- C9 H24 Cl2 Co N5 O8 -","- C36 H96 Cl8 Co4 N20 O32 -","4","1","","Saha, Manas K.; Mukhopadhyay, Uday; Bernal, Ivan","Cleavage of the peptide bond of beta-alanyl-L-histidine (carnosine) induced by a Co(III)-amine complexes: reaction, structure and mechanism.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1466","1473","10.1039/b402571g","","x-ray","0.71073","MoKα","","0.1625","0.0656","","","0.1545","0.1911","","","","","","1.023","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014180","10.884","0.004","11.473","0.006","18.104","0.005","90","","90","","90","","2260.7","1.6","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H30 Cl2 Co N7 O12 -","- C12 H26 Cl2 Co N7 O12 -","- C48 H104 Cl8 Co4 N28 O48 -","4","1","","Saha, Manas K.; Mukhopadhyay, Uday; Bernal, Ivan","Cleavage of the peptide bond of beta-alanyl-L-histidine (carnosine) induced by a Co(III)-amine complexes: reaction, structure and mechanism.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1466","1473","10.1039/b402571g","","x-ray","0.71073","MoKα","","0.0636","0.0419","","","0.1148","0.1253","","","","","","1.06","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014181","8.392","0.0001","8.7131","0.0001","16.3865","0.0002","103.074","0.001","91.011","0.001","94.329","0.001","1163.05","0.02","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","[MeSi(C7H12N3)3]","","","- C22 H39 N9 Si -","- C22 H39 N9 Si -","- C44 H78 N18 Si2 -","2","1","","Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","Poly(guanidyl)silanes as a new class of chelating, N-based ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1113","1114","10.1039/b402718c","","x-ray","0.71073","MoKα","","0.0417","0.0379","","","0.0999","0.1036","","","","","","0.844","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014182","17.5198","0.0005","15.3048","0.0003","9.9712","0.0002","90","","90","","90","","2673.65","0.11","173","2","173","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C27 H41 N9 Si -","- C27 H41 N9 Si -","- C108 H164 N36 Si4 -","4","1","","Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","Poly(guanidyl)silanes as a new class of chelating, N-based ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1113","1114","10.1039/b402718c","","x-ray","0.71073","MoKα","","0.0463","0.0375","","","0.0806","0.0847","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014183","13.2511","0.0003","10.6399","0.0003","14.0837","0.0004","90","","96.377","0.001","90","","1973.38","0.09","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","[CuCl{Me2Si(C7H12N3)2}]","","","- C16 H30 Cl Cu N6 Si -","- C16 H30 Cl Cu N6 Si -","- C64 H120 Cl4 Cu4 N24 Si4 -","4","1","","Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","Poly(guanidyl)silanes as a new class of chelating, N-based ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1113","1114","10.1039/b402718c","","x-ray","0.71073","MoKα","","0.0439","0.0343","","","0.0805","0.0851","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014184","7.6198","0.0001","12.191","0.0002","12.1256","0.0002","90","","96.967","0.001","90","","1118.07","0.03","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H9 Au I3 P -","- C3 H9 Au I3 P -","- C12 H36 Au4 I12 P4 -","4","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0325","0.0323","","","0.0834","0.0836","","","","","","1.142","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014185","35.9785","0.0004","8.3066","0.0001","25.1157","0.0004","90","","116.494","0.001","90","","6717.78","0.16","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8.75 H12.5 Au Cl1.5 I3 P -","- C8.75 H12.5 Au Cl1.5 I3 P -","- C140 H200 Au16 Cl24 I48 P16 -","16","2","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.034","0.0336","","","0.0837","0.0839","","","","","","1.223","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014186","9.8516","0.0001","12.4681","0.0002","30.3821","0.0004","90","","90","","90","","3731.86","0.09","143","2","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C9 H21 Au I4 P -","- C9 H21 Au I4 P -","- C72 H168 Au8 I32 P8 -","8","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0157","0.0156","","","0.0446","0.0446","","","","","","1.074","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014187","10.214","0.0001","12.5045","0.0001","16.7349","0.0002","90","","105.354","0.001","90","","2061.11","0.04","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Au I3 P -","- C18 H15 Au I3 P -","- C72 H60 Au4 I12 P4 -","4","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0261","0.0258","","","0.0663","0.0664","","","","","","1.262","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014188","7.9533","0.0001","14.0747","0.0002","9.3338","0.0001","90","","112.967","0.001","90","","962","0.02","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 Au Br3 P -","- C18 H15 Au Br3 P -","- C36 H30 Au2 Br6 P2 -","2","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0198","0.0196","","","0.051","0.0512","","","","","","1.011","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014189","9.573","0.001","14.264","0.001","12.973","0.001","90","","104.1","0.01","90","","1718.1","0.3","199","2","199","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Au Br3 P -","- C14 H15 Au Br3 P -","- C56 H60 Au4 Br12 P4 -","4","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0547","0.0405","","","0.1133","0.1198","","","","","","1.047","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014190","14.0151","0.0002","20.1112","0.0002","28.2688","0.0004","90","","90","","90","","7967.86","0.18","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Au I P -","- C21 H21 Au I P -","- C336 H336 Au16 I16 P16 -","16","2","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0386","0.033","","","0.0696","0.0719","","","","","","1.055","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014191","8.9024","0.0001","11.6435","0.0002","11.7222","0.0002","105.877","0.001","95.169","0.001","103.724","0.001","1119.62","0.03","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Au I2 P -","- C21 H21 Au I2 P -","- C42 H42 Au2 I4 P2 -","2","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0256","0.0254","","","0.0681","0.0683","","","","","","1.137","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014192","22.381","0.0003","7.32","0.0001","18.35","0.0003","90","","122.226","0.001","90","","2543.15","0.07","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Au2 Br2 P2 -","- C25 H22 Au2 Br2 P2 -","- C100 H88 Au8 Br8 P8 -","4","0.5","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0372","0.0311","","","0.0687","0.0717","","","","","","1.09","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014193","22.4894","0.0002","7.5585","0.0001","18.7126","0.0003","90","","123.579","0.001","90","","2650.07","0.07","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Au2 I2 P2 -","- C25 H22 Au2 I2 P2 -","- C100 H88 Au8 I8 P8 -","4","0.5","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0261","0.026","","","0.067","0.067","","","","","","1.195","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014194","11.1186","0.0001","15.8399","0.0001","19.7887","0.0002","90","","96.162","0.001","90","","3465","0.05","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Au2 Br4 Cl4 P2 -","- C27 H26 Au2 Br4 Cl4 P2 -","- C108 H104 Au8 Br16 Cl16 P8 -","4","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0293","0.027","","","0.0632","0.0641","","","","","","1.168","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014195","9.805","0.00001","14.3361","0.0002","24.557","0.0003","90","","101.442","0.001","90","","3383.26","0.06","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Au I5 P2 -","- C30 H24 Au I5 P2 -","- C120 H96 Au4 I20 P8 -","4","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0318","0.0312","","","0.0782","0.0786","","","","","","1.161","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014196","9.3422","0.0002","11.0745","0.0002","12.0715","0.0002","63.743","0.001","89.642","0.001","65.776","0.001","997.7","0.04","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co2 O12 P2 -","- C42 H30 Co2 O12 P2 -","- C42 H30 Co2 O12 P2 -","1","0.5","","Haumann, Marco; Meijboom, Reinout; Moss, John R.; Roodt, Andreas","Synthesis, crystal structure and hydroformylation activity of triphenylphosphite modified cobalt catalysts.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1679","1686","10.1039/b403033h","","","0.71073","MoKα","","0.0501","0.0293","","","0.0583","0.064","","","","","","1.004","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014197","9.8233","0.0005","10.6474","0.0006","18.5277","0.0011","80.813","0.004","81.284","0.004","64.028","0.004","1712.52","0.18","201","2","201","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Co O8 P2 -","- C38 H31 Co O8 P2 -","- C76 H62 Co2 O16 P4 -","2","1","","Haumann, Marco; Meijboom, Reinout; Moss, John R.; Roodt, Andreas","Synthesis, crystal structure and hydroformylation activity of triphenylphosphite modified cobalt catalysts.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1679","1686","10.1039/b403033h","","","0.71073","MoKα","","0.1147","0.0489","","","0.0825","0.0983","","","","","","0.908","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014198","12.123","0.003","12.614","0.003","12.944","0.003","61.43","0.02","65.86","0.02","69.39","0.02","1555.8","0.7","100","2","100","2","","","","","","","","6","P 1","P 1","1","Fe5Bta","","","- C45 H60.6 Cl5 Fe5 N18 O11.8 -","- C45 H58 Cl5 Fe5 N18 O11.8 -","- C45 H58 Cl5 Fe5 N18 O11.8 -","1","1","","Tabernor, James; Jones, Leigh F.; Heath, Sarah L.; Muryn, Chris; Aromi, Guillem; Ribas, Joan; Brechin, Euan K.; Collison, David","A centred, elongated ""ferric tetrahedron"" with an S= 15/2 spin ground state.","Dalton transactions (Cambridge, England : 2003)","2004","","7","975","976","10.1039/b403041a","","","0.71073","MoKα","","0.0728","0.0574","","","0.1314","0.137","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014199","15.011","0.007","15.011","0.007","25.622","0.005","90","","90","","90","","5773","4","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C232 H200 Cl8 N8 O4 P16 Pd8 -","- C58 H48 Cl2 N2 O P4 Pd2 -","- C232 H192 Cl8 N8 O4 P16 Pd8 -","4","0.5","","Besenyei, Gábor; Párkányi, László; Szalontai, Gábor; Holly, Sándor; Pápai, Imre; Keresztury, Gábor; Nagy, Andrea","N-benzoylimido complexes of palladium. Synthesis, structural characterisation and structure-reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2041","2050","10.1039/b403200d","","","0.7107","MoKα","","0.0926","0.044","","","0.0898","0.1036","","","","","","0.904","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014200","15.079","0.001","15.079","0.001","25.97","0.003","90","","90","","90","","5905","0.9","293","2","293","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C57 H48 Br Cl2 N O P4 Pd2 -","- C57 H48 Br Cl2 N O P4 Pd2 -","- C228 H192 Br4 Cl8 N4 O4 P16 Pd8 -","4","0.5","","Besenyei, Gábor; Párkányi, László; Szalontai, Gábor; Holly, Sándor; Pápai, Imre; Keresztury, Gábor; Nagy, Andrea","N-benzoylimido complexes of palladium. Synthesis, structural characterisation and structure-reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2041","2050","10.1039/b403200d","","","1.5418","CuKα","","0.069","0.061","","","0.1501","0.1564","","","","","","1.041","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014201","21.247","0.003","21.247","0.003","14.214","0.002","90","","90","","90","","6416.7","1.6","293","2","293","2","","","","","","","","7","P 41","P 4w","76","","","","- C57 H49 Cl2 N O P4 Pd2 -","- C57 H49 Cl2 N O P4 Pd2 -","- C228 H196 Cl8 N4 O4 P16 Pd8 -","4","1","","Besenyei, Gábor; Párkányi, László; Szalontai, Gábor; Holly, Sándor; Pápai, Imre; Keresztury, Gábor; Nagy, Andrea","N-benzoylimido complexes of palladium. Synthesis, structural characterisation and structure-reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2041","2050","10.1039/b403200d","","","1.54184","CUkα","","0.0933","0.0513","","","0.1079","0.1211","","","","","","0.912","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014202","21.224","0.005","21.224","0.005","14.23","0.002","90","","90","","90","","6410","2","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- C58 H51 Cl2 N O2 P4 Pd2 -","- C58 H51 Cl2 N O2 P4 Pd2 -","- C232 H204 Cl8 N4 O8 P16 Pd8 -","4","1","","Besenyei, Gábor; Párkányi, László; Szalontai, Gábor; Holly, Sándor; Pápai, Imre; Keresztury, Gábor; Nagy, Andrea","N-benzoylimido complexes of palladium. Synthesis, structural characterisation and structure-reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2041","2050","10.1039/b403200d","","","0.71073","MOkα","","0.115","0.0542","","","0.1176","0.1318","","","","","","0.903","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014203","15.716","0.008","23.618","0.012","20.997","0.011","90","","90.586","0.008","90","","7793","7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Trinuclear Ru Complex","","","- C69 H56 Cl3 N21 O13 Ru3 S3 -","- C69 H54 Cl3 N21 O13 Ru3 S3 -","- C276 H216 Cl12 N84 O52 Ru12 S12 -","4","1","","Kar, Sanjib; Pradhan, Biswajit; Sinha, Rajeev Kumar; Kundu, Tapanendu; Kodgire, Prashant; Rao, K. Krishnamurthy; Puranik, Vedavati G.; Lahiri, Goutam Kumar","Synthesis, structure, redox, NLO and DNA interaction aspects of [((L'-'"")2RuII)3(mu3-L)]3+ and [(L')2RuII(NC5H4S-)]+[L3- = 1,3,5-triazine-2,4,6-trithiolato, L'-'"" = arylazopyridine].","Dalton transactions (Cambridge, England : 2003)","2004","","11","1752","1760","10.1039/b403332a","","","0.71073","MoKα","","0.2002","0.0723","","","0.1388","0.1846","","","","","","0.931","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014204","10.1036","0.0017","30.68","0.005","10.7294","0.0018","90","","94.295","0.003","90","","3316.5","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 Cl N7 O4 Ru S -","- C33 H28 Cl N7 O4 Ru S -","- C132 H112 Cl4 N28 O16 Ru4 S4 -","4","1","","Kar, Sanjib; Pradhan, Biswajit; Sinha, Rajeev Kumar; Kundu, Tapanendu; Kodgire, Prashant; Rao, K. Krishnamurthy; Puranik, Vedavati G.; Lahiri, Goutam Kumar","Synthesis, structure, redox, NLO and DNA interaction aspects of [((L'-'"")2RuII)3(mu3-L)]3+ and [(L')2RuII(NC5H4S-)]+[L3- = 1,3,5-triazine-2,4,6-trithiolato, L'-'"" = arylazopyridine].","Dalton transactions (Cambridge, England : 2003)","2004","","11","1752","1760","10.1039/b403332a","","","0.71073","MoKα","","0.0944","0.0554","","","0.1158","0.1294","","","","","","1.125","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014205","21.8781","0.0012","13.3968","0.0008","14.9141","0.0006","90","","110.327","0.003","90","","4099.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 N4 O9 U -","- C49 H36 N4 O8 U -","- C196 H144 N16 O32 U4 -","4","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with compartmental Schiff bases: from mononuclear species to tri- and tetranuclear clusters.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1635","1643","10.1039/b403459g","","","0.71073","MoKα","","0.0467","0.0392","","","0.0979","0.1014","","","","","","1.143","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014206","16.234","0.0009","15.5787","0.001","17.2083","0.001","90","","111.144","0.004","90","","4059.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 N4 O8 U -","- C46 H40 N4 O8 U -","- C184 H160 N16 O32 U4 -","4","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with compartmental Schiff bases: from mononuclear species to tri- and tetranuclear clusters.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1635","1643","10.1039/b403459g","","","0.71073","MoKα","","0.0489","0.0345","","","0.0627","0.067","","","","","","1.049","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014207","13.552","0.0008","30.4244","0.0018","11.2771","0.0005","90","","111.138","0.003","90","","4336.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N4 O9 U -","- C46 H56 N4 O9 U -","- C184 H224 N16 O36 U4 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with compartmental Schiff bases: from mononuclear species to tri- and tetranuclear clusters.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1635","1643","10.1039/b403459g","","","0.71073","MoKα","","0.0868","0.0455","","","0.0803","0.0927","","","","","","1.001","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014208","12.7267","0.0007","15.4321","0.001","19.6494","0.0011","75.846","0.005","87.788","0.005","78.112","0.005","3661.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H76 N6 O19 U3 -","- C82 H74 N6 O19 U3 -","- C164 H148 N12 O38 U6 -","2","1","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with compartmental Schiff bases: from mononuclear species to tri- and tetranuclear clusters.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1635","1643","10.1039/b403459g","","","0.71073","MoKα","","0.0937","0.0493","","","0.0891","0.1027","","","","","","1.026","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014209","16.1915","0.0019","16.759","0.0016","27.666","0.003","86.586","0.007","89.518","0.006","63.252","0.007","6690.6","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H132 N12 O29 U4 -","- C146 H124 N12 O29 U4 -","- C292 H248 N24 O58 U8 -","2","1","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of uranium(IV) complexes with compartmental Schiff bases: from mononuclear species to tri- and tetranuclear clusters.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1635","1643","10.1039/b403459g","","","0.71073","MoKα","","0.2031","0.082","","","0.1557","0.2051","","","","","","1.012","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014210","9.4038","0.0006","13.7359","0.0009","20.1269","0.0013","90","","90","","90","","2599.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 Cl2 N6 Ni O9 -","- C16 H40 Cl2 N6 Ni O9 -","- C64 H160 Cl8 N24 Ni4 O36 -","4","1","","Ye, Neng; Park, Gyungse; Przyborowska, Ann M.; Sloan, Paula E.; Clifford, Thomas; Bauer, Cary B.; Broker, Grant A.; Rogers, Robin D.; Ma, Rong; Torti, Suzy V.; Brechbiel, Martin W.; Planalp, Roy P.","Nickel(II), copper(II) and zinc(II) binding properties and cytotoxicity of tripodal, hexadentate tris(ethylenediamine)‒analogue chelators.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1304","1311","10.1039/b403476g","","x-ray","0.71073","MoKα","","0.1064","0.0561","","","0.0907","0.1048","","","","","","1.017","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014211","13.3903","0.0011","16.0536","0.0012","17.8755","0.0014","90","","90","","90","","3842.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl2 Cu N6 O8 -","- C33 H48 Cl2 Cu N6 O8 -","- C132 H192 Cl8 Cu4 N24 O32 -","4","1","","Ye, Neng; Park, Gyungse; Przyborowska, Ann M.; Sloan, Paula E.; Clifford, Thomas; Bauer, Cary B.; Broker, Grant A.; Rogers, Robin D.; Ma, Rong; Torti, Suzy V.; Brechbiel, Martin W.; Planalp, Roy P.","Nickel(II), copper(II) and zinc(II) binding properties and cytotoxicity of tripodal, hexadentate tris(ethylenediamine)‒analogue chelators.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1304","1311","10.1039/b403476g","","x-ray","0.71073","MoKα","","0.0905","0.0519","","","0.1009","0.1172","","","","","","1.107","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014212","14.26","0.002","14.79","0.002","17.453","0.002","90","","90","","90","","3680.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl2 N6 O4.5 Zn -","- C33 H48 Cl2 N6 O4.5 Zn -","- C132 H192 Cl8 N24 O18 Zn4 -","4","1","","Ye, Neng; Park, Gyungse; Przyborowska, Ann M.; Sloan, Paula E.; Clifford, Thomas; Bauer, Cary B.; Broker, Grant A.; Rogers, Robin D.; Ma, Rong; Torti, Suzy V.; Brechbiel, Martin W.; Planalp, Roy P.","Nickel(II), copper(II) and zinc(II) binding properties and cytotoxicity of tripodal, hexadentate tris(ethylenediamine)‒analogue chelators.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1304","1311","10.1039/b403476g","","","0.71073","MoKα","","0.2101","0.084","","","0.1328","0.1648","","","","","","0.912","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7014213","4.4272","0.0016","7.44","0.003","17.81","0.006","90","","90.344","0.009","90","","586.6","0.4","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N6 -","- C12 H12 N6 -","- C24 H24 N12 -","2","0.5","","Pascu, Mirela; Tuna, Floriana; Kolodziejczyk, Edyta; Pascu, Gabriel I.; Clarkson, Guy; Hannon, Michael J.","Binding sites on the outside of metallo-supramolecular architectures; engineering coordination polymers from discrete architectures.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1546","1555","10.1039/b403749a","","","0.71073","MoKα","","0.0823","0.0498","","","0.115","0.1236","","","","","","0.876","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014214","10.3804","0.0011","10.3804","0.0011","16.099","0.003","90","","90","","120","","1502.3","0.4","180","2","180","2","","","","","","","","6","P -3","-P 3","147","","","","- C18 H16 Ag B F4 N6 -","- C18 H16 Ag B F3.98667 N6 -","- C54 H48 Ag3 B3 F11.96 N18 -","3","0.5","","Pascu, Mirela; Tuna, Floriana; Kolodziejczyk, Edyta; Pascu, Gabriel I.; Clarkson, Guy; Hannon, Michael J.","Binding sites on the outside of metallo-supramolecular architectures; engineering coordination polymers from discrete architectures.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1546","1555","10.1039/b403749a","","","0.71073","MoKα","","0.1248","0.0561","","","0.0867","0.1048","","","","","","1.006","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014215","18.4389","0.0013","9.863","0.0006","13.5869","0.0009","90","","106.578","0.002","90","","2368.2","0.3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Ag B F4 N4 O -","- C23 H26 Ag B F4 N4 O -","- C92 H104 Ag4 B4 F16 N16 O4 -","4","1","","Pascu, Mirela; Tuna, Floriana; Kolodziejczyk, Edyta; Pascu, Gabriel I.; Clarkson, Guy; Hannon, Michael J.","Binding sites on the outside of metallo-supramolecular architectures; engineering coordination polymers from discrete architectures.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1546","1555","10.1039/b403749a","","","0.71073","MoKα","","0.2064","0.07","","","0.1019","0.143","","","","","","0.986","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014216","15.1092","0.0004","15.3225","0.0004","15.7434","0.0012","90","","90","","90","","3644.8","0.3","180","2","180","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H27 Ag2 F12 N13 P2 -","- C26 H27 Ag2 F12 N13 P2 -","- C104 H108 Ag8 F48 N52 P8 -","4","0.5","","Pascu, Mirela; Tuna, Floriana; Kolodziejczyk, Edyta; Pascu, Gabriel I.; Clarkson, Guy; Hannon, Michael J.","Binding sites on the outside of metallo-supramolecular architectures; engineering coordination polymers from discrete architectures.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1546","1555","10.1039/b403749a","","","0.71073","MoKα","","0.0912","0.0357","","","0.0799","0.0933","","","","","","0.812","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014217","8.916","0.0005","23.9904","0.0015","15.8501","0.001","90","","94.539","0.005","90","","3379.7","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 Al N2 O -","- C35 H47 Al N2 O -","- C140 H188 Al4 N8 O4 -","4","1","","Gibson, Vernon C.; Nienhuis, Drew; Redshaw, Carl; White, Andrew J. P.; Williams, David J.","Bis(imino)phenoxide complexes of aluminium.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1761","1765","10.1039/b403752a","","","1.54178","CuKα","","0.0823","0.0605","","0.1819","0.1586","","","","1.046","1.091","1.091","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014218","12.2387","0.0007","16.1335","0.001","19.3515","0.0009","90","","94.321","0.004","90","","3810.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 Al2 N2 O -","- C38 H56 Al2 N2 O -","- C152 H224 Al8 N8 O4 -","4","1","","Gibson, Vernon C.; Nienhuis, Drew; Redshaw, Carl; White, Andrew J. P.; Williams, David J.","Bis(imino)phenoxide complexes of aluminium.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1761","1765","10.1039/b403752a","","","1.54178","CuKα","","0.0776","0.067","","0.1938","0.1801","","","","1.026","1.055","1.055","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014219","15.5342","0.0015","8.9196","0.0012","21.608","0.002","90","","90.296","0.009","90","","2993.9","0.6","193","2","193","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C66 H82 Al Cl N4 O2 -","- C66 H82 Al Cl N4 O2 -","- C132 H164 Al2 Cl2 N8 O4 -","2","1","","Gibson, Vernon C.; Nienhuis, Drew; Redshaw, Carl; White, Andrew J. P.; Williams, David J.","Bis(imino)phenoxide complexes of aluminium.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1761","1765","10.1039/b403752a","","","1.54178","CuKα","","0.0752","0.0616","","0.1592","0.1463","","","","1.049","1.075","1.075","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014220","9.5331","0.0014","17.296","0.002","23.95","0.003","92.317","0.011","91.8","0.01","94.951","0.01","3928.6","0.9","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H59 Al N2 O -","- C41 H59 Al N2 O -","- C164 H236 Al4 N8 O4 -","4","2","","Gibson, Vernon C.; Nienhuis, Drew; Redshaw, Carl; White, Andrew J. P.; Williams, David J.","Bis(imino)phenoxide complexes of aluminium.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1761","1765","10.1039/b403752a","","","0.71073","MoKα","","0.1188","0.0667","","0.197","0.1591","","","","1.041","1.127","1.127","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014221","10.5872","0.0003","11.7642","0.0004","14.5257","0.0004","82.587","0.002","81.071","0.002","77.165","0.002","1734.18","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","H2Os3(CO)9(P(C6H4MeF3)3)","","","- C30 H14 F9 O9 Os3 P -","- C30 H14 F9 O9 Os3 P -","- C60 H28 F18 O18 Os6 P2 -","2","1","","Tunik, Sergey P.; Khripun, Vassily D.; Haukka, Matti; Pakkanen, Tapani A.","Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the ""Os3C3"" framework.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1775","1782","10.1039/b403861b","","","0.71073","MoKα","","0.0328","0.0274","","","0.065","0.0677","","","","","","1.063","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014222","9.4672","0.0002","12.4349","0.0002","13.9381","0.0003","74.3733","0.0007","83.8221","0.0007","84.5688","0.0008","1567.32","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","HOs3(CO)8(C6H5O)PPh3","","","- C32 H21 O9 Os3 P -","- C32 H21 O9 Os3 P -","- C64 H42 O18 Os6 P2 -","2","1","","Tunik, Sergey P.; Khripun, Vassily D.; Haukka, Matti; Pakkanen, Tapani A.","Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the ""Os3C3"" framework.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1775","1782","10.1039/b403861b","","","0.71073","MoKα","","0.0534","0.0502","","","0.1347","0.1379","","","","","","1.056","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014223","9.342","0.0003","10.894","0.0002","15.4198","0.0005","97.284","0.001","92.185","0.001","101.063","0.002","1524.56","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","HOs3(CO)8(C6H5O)PPh3","","","- C32 H21 O9 Os3 P -","- C32 H21 O9 Os3 P -","- C64 H42 O18 Os6 P2 -","2","1","","Tunik, Sergey P.; Khripun, Vassily D.; Haukka, Matti; Pakkanen, Tapani A.","Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the ""Os3C3"" framework.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1775","1782","10.1039/b403861b","","","0.71073","MoKα","","0.0295","0.0278","","","0.0689","0.0697","","","","","","1.167","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014224","8.6256","0.0001","11.4157","0.0002","37.6229","0.0007","90","","92.1791","0.0009","90","","3701.94","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","HOs3(CO)8(C6H5O)(P(C6H4CF3)3)","","","- C35 H18 F9 O9 Os3 P -","- C35 H18 F9 O9 Os3 P -","- C140 H72 F36 O36 Os12 P4 -","4","1","","Tunik, Sergey P.; Khripun, Vassily D.; Haukka, Matti; Pakkanen, Tapani A.","Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the ""Os3C3"" framework.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1775","1782","10.1039/b403861b","","","0.71073","MoKα","","0.0573","0.0417","","","0.0873","0.0927","","","","","","1.076","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014225","9.6684","0.0001","10.6867","0.0001","12.1747","0.0002","85.1412","0.0006","79.5292","0.0006","88.8925","0.0007","1232.53","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Os3(CO)8(C6H5O)(PEt3)","","","- C20 H21 O9 Os3 P -","- C20 H21 O9 Os3 P -","- C40 H42 O18 Os6 P2 -","2","1","","Tunik, Sergey P.; Khripun, Vassily D.; Haukka, Matti; Pakkanen, Tapani A.","Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the ""Os3C3"" framework.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1775","1782","10.1039/b403861b","","","0.71073","MoKα","","0.0252","0.0237","","","0.0579","0.0587","","","","","","1.114","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014226","10.3317","0.0001","15.5444","0.0002","15.7323","0.0002","90","","97.3","0.0008","90","","2506.13","0.05","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Os3(CO)9(C6H6O)(PEt3)","","","- C21 H21 O10 Os3 P -","- C21 H21 O10 Os3 P -","- C84 H84 O40 Os12 P4 -","4","1","","Tunik, Sergey P.; Khripun, Vassily D.; Haukka, Matti; Pakkanen, Tapani A.","Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the ""Os3C3"" framework.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1775","1782","10.1039/b403861b","","","0.71073","MoKα","","0.033","0.027","","","0.0587","0.0607","","","","","","1.112","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014227","25.081","0.004","17.012","0.003","30.995","0.005","90","","109.617","0.003","90","","12457","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H144 Cr8 N0 O40 -","- C80 H144 Cr8 O40 -","- C320 H576 Cr32 O160 -","4","1","","Christian, Paul; Rajaraman, Gopalan; Harrison, Andrew; McDouall, Joseph J. W.; Raftery, James T.; Winpenny, Richard E. P.","Structural, magnetic and DFT studies of a hydroxide-bridged [Cr8] wheel.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1511","1512","10.1039/b404031g","","","0.71073","MoKα","","0.2094","0.1119","","","0.3261","0.3746","","","","","","1.02","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014228","12.0938","0.0002","21.1951","0.0006","24.5599","0.0004","90","","100.152","0.0008","90","","6196.9","0.2","93.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H70 Ir2 N10 O4 -","- C72 H70 Ir2 N10 O4 -","- C288 H280 Ir8 N40 O16 -","4","1","","Tsuboyama, Akira; Takiguchi, Takao; Okada, Shinjiro; Osawa, Masahisa; Hoshino, Mikio; Ueno, Kazunori","A novel dinuclear cyclometalated iridium complex bridged with 1,4-bis[pyridine-2-yl]benzene: its structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1115","1116","10.1039/b404101c","","","0.7107","MoKα","","","0.0453","","","","0.1138","","","","","","1.482","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014229","8.289","0.0001","11.087","0.0001","13.671","0.0002","68.725","0.001","86.534","0.001","75.138","0.001","1130.84","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Compound 1","","","- C23 H30 Cl In N2 -","- C23 H30 Cl In N2 -","- C46 H60 Cl2 In2 N4 -","2","1","","Cotgreave, Jamie H.; Colclough, David; Kociok-Köhn, Gabriele; Ruggiero, Giuseppe; Frost, Christopher G.; Weller, Andrew S.","Well-defined indium(III)N-heterocyclic carbene complexes with triflate ligands: structural models for the In(OTf)3 catalyst.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1519","1520","10.1039/b404179h","","","0.71073","MoKα","","0.0349","0.0279","","","0.0651","0.0685","","","","","","1.067","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014230","9.423","0.0001","12.504","0.0002","14.509","0.0002","85.378","0.001","83.618","0.001","83.172","0.001","1682.95","0.04","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Compound 3","","","- C25 H29 Cl2 F6 In N2 O6 S2 -","- C25 H29 Cl2 F6 In N2 O6 S2 -","- C50 H58 Cl4 F12 In2 N4 O12 S4 -","2","1","","Cotgreave, Jamie H.; Colclough, David; Kociok-Köhn, Gabriele; Ruggiero, Giuseppe; Frost, Christopher G.; Weller, Andrew S.","Well-defined indium(III)N-heterocyclic carbene complexes with triflate ligands: structural models for the In(OTf)3 catalyst.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1519","1520","10.1039/b404179h","","","0.71073","MoKα","","0.0345","0.0277","","","0.0638","0.0671","","","","","","1.032","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014231","9.061","0.0001","22.38","0.0003","14.79","0.0002","90","","100.923","0.001","90","","2944.86","0.07","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 2","","","- C25 H32 Cl2 F3 In N2 O3 S -","- C25 H32 Cl2 F3 In N2 O3 S -","- C100 H128 Cl8 F12 In4 N8 O12 S4 -","4","1","","Cotgreave, Jamie H.; Colclough, David; Kociok-Köhn, Gabriele; Ruggiero, Giuseppe; Frost, Christopher G.; Weller, Andrew S.","Well-defined indium(III)N-heterocyclic carbene complexes with triflate ligands: structural models for the In(OTf)3 catalyst.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1519","1520","10.1039/b404179h","","","0.71073","MoKα","","0.0466","0.0302","","","0.0709","0.0784","","","","","","1.038","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014232","12.6547","0.0002","11.4546","0.0002","21.2777","0.0004","90","","104.557","0.0011","90","","2985.29","0.09","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H43 B18 Ir N2 -","- C13 H43 B18 Ir N2 -","- C52 H172 B72 Ir4 N8 -","4","1","","Shea, Suzanne L.; Jelínek, Tomás; Perera, Sarath D.; Stíbr, Bohumil; Thornton-Pett, Mark; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. Ligand-induced two-electron variations of intercluster bonding intimacy. Structures of nineteen-vertex [(eta5-C5Me5)HIrB18H19(PMe2Ph)] and the related carbene complex [(eta5-C5Me5)HIrB18H19[C(NHMe)2]].","Dalton transactions (Cambridge, England : 2003)","2004","","10","1521","1523","10.1039/b404322g","","","0.71073","MoKα","","0.0438","0.039","","","0.1096","0.1132","","","","","","1.061","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014233","10.2788","0.0009","17.2512","0.0015","18.1263","0.0017","99.201","0.008","98.006","0.009","90.678","0.008","3140","0.5","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H46 B18 Ir P -","- C18 H46 B18 Ir P -","- C72 H184 B72 Ir4 P4 -","4","2","","Shea, Suzanne L.; Jelínek, Tomás; Perera, Sarath D.; Stíbr, Bohumil; Thornton-Pett, Mark; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. Ligand-induced two-electron variations of intercluster bonding intimacy. Structures of nineteen-vertex [(eta5-C5Me5)HIrB18H19(PMe2Ph)] and the related carbene complex [(eta5-C5Me5)HIrB18H19[C(NHMe)2]].","Dalton transactions (Cambridge, England : 2003)","2004","","10","1521","1523","10.1039/b404322g","","","0.71073","MoKα","","0.0538","0.0318","","","0.0587","0.0692","","","","","","1.115","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014234","17.184","0.0001","29.2773","0.0002","17.1747","0.0001","90","","90","","90","","8640.61","0.09","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H46 K N12 O15 Ru2 Yb -","- C28 H34 K N12 O15 Ru2 Yb -","- C224 H272 K8 N96 O120 Ru16 Yb8 -","8","2","","Miller, Thomas A.; Jeffery, John C.; Ward, Michael D.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen","Photoinduced Ru-Yb energy transfer and sensitised near-IR luminescence in a coordination polymer containing co-crystallised [Ru(bipy)(CN)4]2- and Yb(III) units.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1524","1526","10.1039/b404820b","","","1.54178","CuKα","","0.027","0.0259","","","0.0639","0.0649","","","","","","1.069","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014235","14.442","0.002","15.449","0.002","16.392","0.002","76.905","0.002","69.37","0.002","79.148","0.002","3310.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H74 N18 O25 Ru3 Yb2 -","- C42 H48 N18 O25 Ru3 Yb2 -","- C84 H96 N36 O50 Ru6 Yb4 -","2","1","","Miller, Thomas A.; Jeffery, John C.; Ward, Michael D.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen","Photoinduced Ru-Yb energy transfer and sensitised near-IR luminescence in a coordination polymer containing co-crystallised [Ru(bipy)(CN)4]2- and Yb(III) units.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1524","1526","10.1039/b404820b","","","0.71073","MoKα","","0.0778","0.0622","","","0.1677","0.181","","","","","","1.044","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014236","12.854","0.002","18.717","0.003","20.397","0.004","90","","91.713","0.003","90","","4905.1","1.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H35 B F15 N P2 -","- C56 H35 B F15 N P2 -","- C224 H140 B4 F60 N4 P8 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis of the new, weakly coordinating anions [RB(C6F5)3]- (R = CH2Me, CHMe2, CH2CMe3); utilization of [HNMe2Ph][Me3CCH2B(C6F5)3] to activate zirconocene catalysts for propylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4089","4091","10.1039/b410941d","","","0.71073","MoKα","","0.1344","0.0488","","","0.0924","0.1082","","","","","","0.799","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014237","16","0.008","13.449","0.007","17.474","0.008","90","","90","","90","","3760","3","453","2","453","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H29 B F15 P -","- C42 H29 B F15 P -","- C168 H116 B4 F60 P4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis of the new, weakly coordinating anions [RB(C6F5)3]- (R = CH2Me, CHMe2, CH2CMe3); utilization of [HNMe2Ph][Me3CCH2B(C6F5)3] to activate zirconocene catalysts for propylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4089","4091","10.1039/b410941d","","","0.71073","MoKα","","0.1796","0.0373","","","0.0365","0.0494","","","","","","0.593","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014238","8.34","0.002","15.235","0.004","23.409","0.006","90","","90","","90","","2974.3","1.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 B F15 N -","- C31 H23 B F15 N -","- C124 H92 B4 F60 N4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis of the new, weakly coordinating anions [RB(C6F5)3]- (R = CH2Me, CHMe2, CH2CMe3); utilization of [HNMe2Ph][Me3CCH2B(C6F5)3] to activate zirconocene catalysts for propylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4089","4091","10.1039/b410941d","","","0.71073","MoKα","","0.1021","0.0431","","","0.0728","0.0836","","","","","","0.81","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014239","11.939","0.003","13.588","0.002","24.678","0.004","82.868","0.017","84.101","0.016","64.082","0.015","3567.6","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C83 H60 Br2 N4 O4 P2 Ru -","- C83 H60 Br2 N4 O4 P2 Ru -","- C166 H120 Br4 N8 O8 P4 Ru2 -","2","1","","Adams, Christopher J.; Bowen, Lucy E.; Humphrey, Mark G.; Morrall, Joseph P. L.; Samoc, Marek; Yellowlees, Lesley J.","Ruthenium bipyridyl compounds with two terminal alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4130","4138","10.1039/b411609g","","","0.71073","MoKα","","0.1084","0.0503","","","0.113","0.1338","","","","","","1.032","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014240","15.158","0.003","20.783","0.004","21.935","0.004","90.29","0.03","92.81","0.03","100.88","0.03","6777","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.5 H64 I2 N4 O4 P2 Ru -","- C79.5 H64 I2 N4 O4 P2 Ru -","- C318 H256 I8 N16 O16 P8 Ru4 -","4","2","","Adams, Christopher J.; Bowen, Lucy E.; Humphrey, Mark G.; Morrall, Joseph P. L.; Samoc, Marek; Yellowlees, Lesley J.","Ruthenium bipyridyl compounds with two terminal alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4130","4138","10.1039/b411609g","","","0.71073","MoKα","","0.0782","0.0587","","","0.1346","0.1473","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014241","18.979","0.002","13.4126","0.0018","22.89","0.003","90","","101.982","0.008","90","","5699.9","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 Cl2 I2 N4 O4 P2 Ru -","- C63 H46 Cl2 I2 N4 O4 P2 Ru -","- C252 H184 Cl8 I8 N16 O16 P8 Ru4 -","4","1","","Adams, Christopher J.; Bowen, Lucy E.; Humphrey, Mark G.; Morrall, Joseph P. L.; Samoc, Marek; Yellowlees, Lesley J.","Ruthenium bipyridyl compounds with two terminal alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4130","4138","10.1039/b411609g","","","0.71073","MoKα","","0.0731","0.0426","","","0.061","0.0658","","","","","","0.754","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014242","16.692","0.006","11.874","0.004","26.902","0.008","90","","97.69","0.03","90","","5284","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H53 Cl2 F6 N4 P3 Ru -","- C55 H53 Cl2 F6 N4 P3 Ru -","- C220 H212 Cl8 F24 N16 P12 Ru4 -","4","1","","Adams, Christopher J.; Bowen, Lucy E.; Humphrey, Mark G.; Morrall, Joseph P. L.; Samoc, Marek; Yellowlees, Lesley J.","Ruthenium bipyridyl compounds with two terminal alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4130","4138","10.1039/b411609g","","","0.71073","MoKα","","0.1372","0.0663","","","0.1619","0.1928","","","","","","0.987","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014243","9.283","0.002","10.008","0.006","10.568","0.001","99.87","0.02","105.12","0.01","109.15","0.02","859.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 O6 P4 Ru -","- C30 H32 Cl2 O6 P4 Ru -","- C30 H32 Cl2 O6 P4 Ru -","1","0.5","","Higham, Lee J.; Whittlesey, Michael K.; Wood, Paul T.","Water-soluble hydroxyalkylated phosphines: examples of their differing behaviour toward ruthenium and rhodium.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4202","4208","10.1039/b411701h","","x-ray","0.71073","MoKα","","0.1008","0.0641","","0.2084","0.1666","","","","1.01","1.073","1.073","","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014244","9.3336","0.0001","13.7811","0.0001","20.9211","0.0001","90","","90","","90","","2691.02","0.04","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CS4","","","- C25 H41 Co O4 Si2 -","- C25 H41 Co O4 Si2 -","- C100 H164 Co4 O16 Si8 -","4","1","","Schaefer, Carsten; Gleiter, Rolf; Rominger, Frank","A stepwise degradation of sterically hindered CpCo-cyclobutadiene complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4146","4151","10.1039/b412167h","","","0.71073","MoKα","","0.037","0.0293","","","0.066","0.0692","","","","","","1.017","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014245","16.6147","0.0001","11.0728","0.0002","24.7178","0.0004","90","","98.288","0.001","90","","4499.87","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CS32","","","- C55 H53 Co O4 Si2 -","- C55 H53 Co O4 Si2 -","- C220 H212 Co4 O16 Si8 -","4","1","","Schaefer, Carsten; Gleiter, Rolf; Rominger, Frank","A stepwise degradation of sterically hindered CpCo-cyclobutadiene complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4146","4151","10.1039/b412167h","","","0.71073","MoKα","","0.0697","0.0404","","","0.1007","0.1194","","","","","","1.017","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014246","19.8492","0.0019","11.8567","0.0011","21.22","0.002","90","","107.753","0.002","90","","4756.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cs50","","","- C35 H63 Co N4 O7 Si2 -","- C41.34 H63 Co N4 O7 Si2 -","- C165.36 H252 Co4 N16 O28 Si8 -","4","1","","Schaefer, Carsten; Gleiter, Rolf; Rominger, Frank","A stepwise degradation of sterically hindered CpCo-cyclobutadiene complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4146","4151","10.1039/b412167h","","","0.71073","MoKα","","0.1081","0.0795","","","0.1894","0.2068","","","","","","1.082","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014247","16.212","0.0013","18.413","0.0015","15.2419","0.0012","90","","94.735","0.002","90","","4534.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cs46","","","- C20 H38 O4 Si2 -","- C20 H38 O4 Si2 -","- C160 H304 O32 Si16 -","8","1","","Schaefer, Carsten; Gleiter, Rolf; Rominger, Frank","A stepwise degradation of sterically hindered CpCo-cyclobutadiene complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4146","4151","10.1039/b412167h","","","0.71073","MoKα","","0.094","0.0797","","","0.1916","0.2006","","","","","","1.153","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014248","11.4042","0.0009","11.8988","0.0009","17.095","0.001","90","","103.263","0.001","90","","2257.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cs47","","","- C20 H38 O4 Si2 -","- C20 H38 O4 Si2 -","- C80 H152 O16 Si8 -","4","1","","Schaefer, Carsten; Gleiter, Rolf; Rominger, Frank","A stepwise degradation of sterically hindered CpCo-cyclobutadiene complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4146","4151","10.1039/b412167h","","","0.71073","MoKα","","0.0405","0.0356","","","0.0899","0.0933","","","","","","1.055","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014249","9.1299","0.0002","16.3989","0.0004","15.8666","0.0004","90","","99.511","0.001","90","","2342.9","0.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8 in paper","","","- C20 H36 O5 Si2 -","- C20 H36 O5 Si2 -","- C80 H144 O20 Si8 -","4","1","","Schaefer, Carsten; Gleiter, Rolf; Rominger, Frank","A stepwise degradation of sterically hindered CpCo-cyclobutadiene complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4146","4151","10.1039/b412167h","","","0.71073","MoKα","","0.0714","0.0455","","","0.1129","0.1286","","","","","","1.015","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014250","5.7522","0.0007","6.2611","0.0007","17.442","0.002","90","","94.017","0.002","90","","626.63","0.13","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound 5","","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Zampese, Jennifer A.; Keene, F. Richard; Steel, Peter J.","Diastereoisomeric dinuclear ruthenium complexes of 2,5-di(2-pyridyl)thiazolo[5,4-d]thiazole.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4124","4129","10.1039/b412344a","","","0.71073","MoKα","","0.0437","0.0316","","","0.0754","0.0788","","","","","","1.019","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014251","7.478","0.002","16.096","0.005","10.468","0.003","90","","98.084","0.004","90","","1247.5","0.6","163","2","163","2","","","","","","","","6","P 1 21 1","P 2yb","4","Complex 6","","","- C14 H12 Cu2 N8 O14 S2 -","- C14 H12 Cu2 N8 O14 S2 -","- C28 H24 Cu4 N16 O28 S4 -","2","1","","Zampese, Jennifer A.; Keene, F. Richard; Steel, Peter J.","Diastereoisomeric dinuclear ruthenium complexes of 2,5-di(2-pyridyl)thiazolo[5,4-d]thiazole.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4124","4129","10.1039/b412344a","","","0.71073","MoKα","","0.048","0.0363","","","0.0877","0.0913","","","","","","1.001","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014252","16.237","0.004","20.003","0.005","21.2","0.005","90","","101.414","0.003","90","","6749","3","163","2","163","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Complex 7meso","","","- C58 H46 F24 N14 P4 Ru2 S2 -","- C58 H46 F24 N14 P4 Ru2 S2 -","- C232 H184 F96 N56 P16 Ru8 S8 -","4","0.5","","Zampese, Jennifer A.; Keene, F. Richard; Steel, Peter J.","Diastereoisomeric dinuclear ruthenium complexes of 2,5-di(2-pyridyl)thiazolo[5,4-d]thiazole.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4124","4129","10.1039/b412344a","","","0.71073","MoKα","","0.048","0.0299","","","0.0657","0.0703","","","","","","1.024","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014253","16.046","0.003","25.921","0.004","16.712","0.003","90","","94.061","0.002","90","","6934","2","163","2","163","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Complex 7rac","","","- C54 H46 F24 N12 O3 P4 Ru2 S2 -","- C54 H40 F24 N12 O3 P4 Ru2 S2 -","- C216 H160 F96 N48 O12 P16 Ru8 S8 -","4","1","","Zampese, Jennifer A.; Keene, F. Richard; Steel, Peter J.","Diastereoisomeric dinuclear ruthenium complexes of 2,5-di(2-pyridyl)thiazolo[5,4-d]thiazole.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4124","4129","10.1039/b412344a","","","0.71073","MoKα","","0.121","0.059","","","0.1459","0.1749","","","","","","1.012","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014254","11.983","0.005","12.272","0.006","14.846","0.009","106.9","0.04","110.96","0.06","101.17","0.04","1839","2","293","2","293","2","","","","","","","synthesized","7","P -1","-P 1","2","Catena-(tetrakis(mu-trifluoroacetato-O,O')dirhodium(II,II)‒ bis(4'-pyridyl)diphenylsilane)","Catena-[tetrakis(mu-trifluoroacetato-O,O')dirhodium(II,II)- -bis(4'-pyridyl)diphenylsilane]","","- C30 H18 F12 N2 O8 Rh2 Si -","- C30 H18 F12 N2 O8 Rh2 Si -","- C60 H36 F24 N4 O16 Rh4 Si2 -","2","1","","Dikarev, Evgeny V.; Chernyshev, Vladimir V.; Shpanchenko, Roman V.; Filatov, Alexander S.; Petrukhina, Marina A.","Bulk material vs. single crystal: powder diffraction to the rescue.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4120","4123","10.1039/b412701n","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.4","","","","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014255","6.434","0.001","11.986","0.004","17.262","0.001","98.87","0.02","100.23","0.01","104.26","0.02","1242","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H29 Br0.6 Cl0.4 N2 Si2 Sn -","- C21 H29 Br0.604 Cl0.396 N2 Si2 Sn -","- C42 H58 Br1.208 Cl0.792 N4 Si4 Sn2 -","2","1","","Hitchcock, Peter B.; Hu, Jin; Lappert, Michael F.; Severn, John R.","Synthesis and structures of beta-diketiminatotin(II) halides, an amide and of Sn(=E)[{N(R)C(Ph)}2CH](NR2) (E = S or Se, R = SiMe3).","Dalton transactions (Cambridge, England : 2003)","2004","","24","4193","4201","10.1039/b412765j","","","0.71073","MoKα","","0.0839","0.0449","","","0.0867","0.1005","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014256","24.938","0.008","6.302","0.001","24.981","0.01","90","","99.52","0.03","90","","3872","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Cl N2 Si Sn -","- C16 H25 Cl N2 Si Sn -","- C128 H200 Cl8 N16 Si8 Sn8 -","8","2","","Hitchcock, Peter B.; Hu, Jin; Lappert, Michael F.; Severn, John R.","Synthesis and structures of beta-diketiminatotin(II) halides, an amide and of Sn(=E)[{N(R)C(Ph)}2CH](NR2) (E = S or Se, R = SiMe3).","Dalton transactions (Cambridge, England : 2003)","2004","","24","4193","4201","10.1039/b412765j","","","0.71073","MoKα","","0.0807","0.0464","","","0.0847","0.0972","","","","","","1.024","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014257","11.28","0.006","25.044","0.012","12.767","0.008","90","","107.19","0.03","90","","3446","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cl2 N4 Sn2 -","- C33 H42 Cl2 N4 Sn2 -","- C132 H168 Cl8 N16 Sn8 -","4","1","","Hitchcock, Peter B.; Hu, Jin; Lappert, Michael F.; Severn, John R.","Synthesis and structures of beta-diketiminatotin(II) halides, an amide and of Sn(=E)[{N(R)C(Ph)}2CH](NR2) (E = S or Se, R = SiMe3).","Dalton transactions (Cambridge, England : 2003)","2004","","24","4193","4201","10.1039/b412765j","","","0.71073","MoKα","","0.1065","0.0738","","","0.1766","0.1987","","","","","","1.058","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014258","21.258","0.004","9.153","0.002","36.16","0.005","90","","104.9","0.01","90","","6799","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H47 N3 Si4 Sn -","- C27 H47 N3 Si4 Sn -","- C216 H376 N24 Si32 Sn8 -","8","2","","Hitchcock, Peter B.; Hu, Jin; Lappert, Michael F.; Severn, John R.","Synthesis and structures of beta-diketiminatotin(II) halides, an amide and of Sn(=E)[{N(R)C(Ph)}2CH](NR2) (E = S or Se, R = SiMe3).","Dalton transactions (Cambridge, England : 2003)","2004","","24","4193","4201","10.1039/b412765j","","","0.71073","MoKα","","0.2515","0.0953","","","0.1954","0.2686","","","","","","1.01","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014259","18.795","0.005","8.974","0.006","21.617","0.003","90","","105.82","0.02","90","","3508","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H47 N3 S Si4 Sn -","- C27 H47 N3 S Si4 Sn -","- C108 H188 N12 S4 Si16 Sn4 -","4","1","","Hitchcock, Peter B.; Hu, Jin; Lappert, Michael F.; Severn, John R.","Synthesis and structures of beta-diketiminatotin(II) halides, an amide and of Sn(=E)[{N(R)C(Ph)}2CH](NR2) (E = S or Se, R = SiMe3).","Dalton transactions (Cambridge, England : 2003)","2004","","24","4193","4201","10.1039/b412765j","","","0.71073","MoKα","","0.0726","0.0399","","","0.0802","0.0916","","","","","","1.026","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014260","33.8525","0.0004","8.5459","0.0001","16.3577","0.0002","90","","110.995","0.001","90","","4418.12","0.1","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Mo2 O4 P -","- C23 H23 Mo2 O4 P -","- C184 H184 Mo16 O32 P8 -","8","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García-Vivó, Daniel; García, M Esther; Ruiz, Miguel A.; Saáez, David; Falvello, Larry R.; Soler, Tatiana; Herson, Patrick","Proton induced P-H and Mo-H bond activation at the phosphide bridged dimolybdenum complexes [Mo2Cp2(mu-H)(mu-PHR)(CO)4](R = Cy, 2,4,6-C6H2R'3; R'= H, Me, tBu).","Dalton transactions (Cambridge, England : 2003)","2004","","24","4168","4179","10.1039/b412875c","","x-ray","1.54182","CuKα","","0.025","0.0238","","","0.0598","0.0606","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014261","8.5683","0.0009","10.8886","0.0013","13.719","0.003","94.019","0.015","103.809","0.01","112.294","0.008","1131.5","0.3","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 F Mo2 O4 P -","- C23 H22 F Mo2 O4 P -","- C46 H44 F2 Mo4 O8 P2 -","2","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García-Vivó, Daniel; García, M Esther; Ruiz, Miguel A.; Saáez, David; Falvello, Larry R.; Soler, Tatiana; Herson, Patrick","Proton induced P-H and Mo-H bond activation at the phosphide bridged dimolybdenum complexes [Mo2Cp2(mu-H)(mu-PHR)(CO)4](R = Cy, 2,4,6-C6H2R'3; R'= H, Me, tBu).","Dalton transactions (Cambridge, England : 2003)","2004","","24","4168","4179","10.1039/b412875c","","","0.71073","MoKα","","0.0384","0.029","","","0.0644","0.0684","","","","","","1.026","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014262","20.6073","0.0019","9.5398","0.0007","27.706","0.003","90","","101.031","0.008","90","","5346.1","0.9","293","","293","","","","","","","","?","8","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H23 B Cl F4 Mo2 O5 P -","- C21.5 H23 B Cl F4 Mo2 O5 P -","- C172 H184 B8 Cl8 F32 Mo16 O40 P8 -","8","2","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García-Vivó, Daniel; García, M Esther; Ruiz, Miguel A.; Saáez, David; Falvello, Larry R.; Soler, Tatiana; Herson, Patrick","Proton induced P-H and Mo-H bond activation at the phosphide bridged dimolybdenum complexes [Mo2Cp2(mu-H)(mu-PHR)(CO)4](R = Cy, 2,4,6-C6H2R'3; R'= H, Me, tBu).","Dalton transactions (Cambridge, England : 2003)","2004","","24","4168","4179","10.1039/b412875c","","","0.71073","MoKα","","0.1215","0.0684","","0.1639","0.0809","0.0809","","","","","","0.8787","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014263","8.635","0.0001","9.8969","0.0001","13.7036","0.0001","104.295","0.001","102.891","0.001","106.691","0.001","1031.06","0.02","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C20 H16 Cl Mo2 O4 P -","- C20 H16 Cl Mo2 O4 P -","- C40 H32 Cl2 Mo4 O8 P2 -","2","1","","Alvarez, Celedonio M.; Alvarez, M. Angeles; García-Vivó, Daniel; García, M Esther; Ruiz, Miguel A.; Saáez, David; Falvello, Larry R.; Soler, Tatiana; Herson, Patrick","Proton induced P-H and Mo-H bond activation at the phosphide bridged dimolybdenum complexes [Mo2Cp2(mu-H)(mu-PHR)(CO)4](R = Cy, 2,4,6-C6H2R'3; R'= H, Me, tBu).","Dalton transactions (Cambridge, England : 2003)","2004","","24","4168","4179","10.1039/b412875c","","x-ray","1.54183","CuKα","","0.0324","0.0313","","","0.0825","0.0836","","","","","","1.049","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014264","10.765","0.002","8.048","0.001","16.946","0.002","90","","97.38","0.01","90","","1456","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cu N3 O2 -","- C15 H19 Cu N3 O2 -","- C60 H76 Cu4 N12 O8 -","4","1","","Talukder, Pritha; Datta, Amitabha; Mitra, Samiran; Rosair, Georgina; El Fallah, M. Salah; Ribas, Joan","End-to-end single cyanato and thiocyanato bridged Cu(II) polymers with a new tridentate Schiff base ligand: crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4161","4167","10.1039/b413084g","","","0.71073","MoKα","","0.0317","0.0297","","","0.0826","0.0841","","","","","","1.064","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014265","11.195","0.001","8.302","0.003","17.262","0.002","90","","91.14","0.01","90","","1604","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cu N3 O S -","- C15 H19 Cu N3 O S -","- C60 H76 Cu4 N12 O4 S4 -","4","1","","Talukder, Pritha; Datta, Amitabha; Mitra, Samiran; Rosair, Georgina; El Fallah, M. Salah; Ribas, Joan","End-to-end single cyanato and thiocyanato bridged Cu(II) polymers with a new tridentate Schiff base ligand: crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4161","4167","10.1039/b413084g","","","0.71073","MoKα","","0.0456","0.0353","","","0.087","0.0922","","","","","","1.034","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014266","19.392","0.003","11.762","0.002","13.203","0.002","90","","93.012","0.006","90","","3007.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Cu N5 O -","- C14 H19 Cu N5 O -","- C112 H152 Cu8 N40 O8 -","8","2","","Talukder, Pritha; Datta, Amitabha; Mitra, Samiran; Rosair, Georgina; El Fallah, M. Salah; Ribas, Joan","End-to-end single cyanato and thiocyanato bridged Cu(II) polymers with a new tridentate Schiff base ligand: crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4161","4167","10.1039/b413084g","","","0.71073","MoKα","","0.1478","0.1221","","","0.308","0.3149","","","","","","1.66","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014267","10.7174","0.0018","17.715","0.003","11.843","0.002","92.832","0.003","100.141","0.003","102.892","0.003","2148.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H43 B10 D5 P2 Ru -","- C44 H43 B10 D5 P2 Ru -","- C88 H86 B20 D10 P4 Ru2 -","2","1","","Basato, Marino; Biffis, Andrea; Tubaro, Cristina; Graiff, Claudia; Tiripicchio, Antonio","Nucleophilic substitution on a Ru-coordinated Cp ring by a carborane anion.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4092","4093","10.1039/b413803a","","","0.71073","MoKα","","0.0385","0.029","","","0.0715","0.0745","","","","","","0.98","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014268","10.0729","0.0012","10.6189","0.0012","14.2244","0.0016","87.826","0.002","85.209","0.002","69.217","0.002","1417.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H32 Cl2 N6 O9 S Zn -","- C21 H32 Cl2 N6 O9 S Zn -","- C42 H64 Cl4 N12 O18 S2 Zn2 -","2","1","","Mareque Rivas, Juan C.; Salvagni, Emiliano; Parsons, Simon","Investigating the effect of hydrogen bonding environments in amide cleavage reactions at zinc(II) complexes with intramolecular amide oxygen co-ordination.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4185","4192","10.1039/b414223c","","","0.71073","MoKα","","0.1073","0.0785","","","0.1308","0.1393","","","","","","1.192","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014269","9.8999","0.0004","11.5861","0.0004","14.3217","0.0005","72.33","0.001","75.593","0.001","86.876","0.002","1515.6","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 Cl2 N7 O9 Zn -","- C25 H31 Cl2 N7 O9 Zn -","- C50 H62 Cl4 N14 O18 Zn2 -","2","1","","Mareque Rivas, Juan C.; Salvagni, Emiliano; Parsons, Simon","Investigating the effect of hydrogen bonding environments in amide cleavage reactions at zinc(II) complexes with intramolecular amide oxygen co-ordination.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4185","4192","10.1039/b414223c","","","0.71073","MoKα","","0.0521","0.0454","","","0.1098","0.1139","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014270","10.0798","0.0002","11.73","0.0003","14.263","0.0003","71.377","0.001","75.058","0.001","87.706","0.001","1542.42","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 Cl2 N8 O9 Zn -","- C25 H32 Cl2 N8 O9 Zn -","- C50 H64 Cl4 N16 O18 Zn2 -","2","1","","Mareque Rivas, Juan C.; Salvagni, Emiliano; Parsons, Simon","Investigating the effect of hydrogen bonding environments in amide cleavage reactions at zinc(II) complexes with intramolecular amide oxygen co-ordination.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4185","4192","10.1039/b414223c","","","0.71073","MoKα","","0.0383","0.0349","","","0.0866","0.0892","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7014271","10.53","0.0006","12.0767","0.0007","13.7292","0.0008","88.641","0.001","73.037","0.001","88.069","0.001","1668.83","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H34 Cl2 N6 O9 S Zn -","- C29 H34 Cl2 N6 O9 S Zn -","- C58 H68 Cl4 N12 O18 S2 Zn2 -","2","1","","Mareque Rivas, Juan C.; Salvagni, Emiliano; Parsons, Simon","Investigating the effect of hydrogen bonding environments in amide cleavage reactions at zinc(II) complexes with intramolecular amide oxygen co-ordination.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4185","4192","10.1039/b414223c","","","0.71073","MoKα","","0.0495","0.0436","","","0.1116","0.1152","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014272","9.9047","0.0006","22.5476","0.0015","11.8755","0.0005","90","","104.804","0.004","90","","2564.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Cl2 N2 O5 U -","- C24 H14 Cl2 N2 O5 U -","- C96 H56 Cl8 N8 O20 U4 -","4","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of tetra- and hexanuclear uranium(IV) complexes with hexadentate compartmental Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4139","4145","10.1039/b414626c","","","0.71073","MoKα","","0.0379","0.0348","","","0.0871","0.0889","","","","","","1.07","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014273","12.233","0.003","13.0849","0.0019","17.421","0.004","80.235","0.015","83.042","0.011","70.043","0.012","2577.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H94 Cl8 N14 O16 U4 -","- C98 H90 Cl8 N14 O16 U4 -","- C98 H90 Cl8 N14 O16 U4 -","1","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of tetra- and hexanuclear uranium(IV) complexes with hexadentate compartmental Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4139","4145","10.1039/b414626c","","","0.71073","MoKα","","0.1481","0.08","","","0.1571","0.1884","","","","","","1.006","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014274","15.3462","0.0008","21.4191","0.0013","16.8848","0.0007","90","","112.245","0.003","90","","5137","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H100 Cl4 N16 O16 U4 -","- C110 H74 Cl4 N14 O16 U4 -","- C220 H148 Cl8 N28 O32 U8 -","2","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of tetra- and hexanuclear uranium(IV) complexes with hexadentate compartmental Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4139","4145","10.1039/b414626c","","","0.71073","MoKα","","0.1166","0.0555","","","0.1244","0.1497","","","","","","1.004","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014275","16.244","0.002","17.3019","0.0018","23.439","0.002","80.542","0.005","79.928","0.005","72.362","0.005","6137.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C268 H222 Cl10 N36 O32 U8 -","- C268 H212 Cl10 N36 O32 U8 -","- C268 H212 Cl10 N36 O32 U8 -","1","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of tetra- and hexanuclear uranium(IV) complexes with hexadentate compartmental Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4139","4145","10.1039/b414626c","","","0.71073","MoKα","","0.2282","0.0477","","","0.0888","0.1358","","","","","","1.023","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014276","42.8614","0.0016","10.6024","0.0004","29.6703","0.0011","90","","92.342","0.002","90","","13471.9","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H126 Cl10 N20 O16 U6 -","- C132 H116 Cl10 N20 O16 U6 -","- C528 H464 Cl40 N80 O64 U24 -","4","0.5","","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of tetra- and hexanuclear uranium(IV) complexes with hexadentate compartmental Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4139","4145","10.1039/b414626c","","","0.71073","MoKα","","0.0991","0.0478","","","0.0807","0.0955","","","","","","1.004","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014277","12.771","0.007","15.664","0.009","8.544","0.005","90","","105.971","0.009","90","","1643.2","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cu2 N4 O10 S6 -","- C22 H32 Cu2 N4 O10 S6 -","- C44 H64 Cu4 N8 O20 S12 -","2","0.5","","Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.","Synthetic analogue approach for the functional domains of copper(II) bleomycins and its DNA cleavage activity.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4180","4184","10.1039/b414639e","","","0.71073","MoKα","","0.0652","0.0506","","","0.1162","0.1229","","","","","","1.142","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014278","15.351","0.0001","10.443","0.0001","17.944","0.0002","90","","99.274","0.0004","90","","2839.01","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 F4 N P3 Rh -","- C23 H45 F4 N P3 Rh -","- C92 H180 F16 N4 P12 Rh4 -","4","1","","Noveski, Daniel; Braun, Thomas; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg","C-F or C-H bond activation and C-C coupling reactions of fluorinated pyridines at rhodium: synthesis, structure and reactivity of a variety of tetrafluoropyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4106","4119","10.1039/b414734k","","","0.71073","MoKα","","0.0337","0.025","","","0.0569","0.0601","","","","","","1.021","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014279","8.796","0.0001","8.957","0.0001","14.55","0.0001","81.199","0.0004","80.936","0.0003","77.707","0.0004","1097.55","0.019","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H30 F4 N O P2 Rh -","- C18 H30 F4 N O P2 Rh -","- C36 H60 F8 N2 O2 P4 Rh2 -","2","1","","Noveski, Daniel; Braun, Thomas; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg","C-F or C-H bond activation and C-C coupling reactions of fluorinated pyridines at rhodium: synthesis, structure and reactivity of a variety of tetrafluoropyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4106","4119","10.1039/b414734k","","","0.71073","MoKα","","0.0287","0.0261","","","0.0576","0.0587","","","","","","1.189","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014280","13.536","0.004","14.29","0.004","13.958","0.003","90","","94.48","0.019","90","","2691.6","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 F4 N2 P2 Rh -","- C22 H39 F4 N2 P2 Rh -","- C88 H156 F16 N8 P8 Rh4 -","4","1","","Noveski, Daniel; Braun, Thomas; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg","C-F or C-H bond activation and C-C coupling reactions of fluorinated pyridines at rhodium: synthesis, structure and reactivity of a variety of tetrafluoropyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4106","4119","10.1039/b414734k","","","0.71073","MoKα","","0.0523","0.032","","","0.0626","0.0708","","","","","","1.112","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014281","26.075","0.003","11.363","0.001","8.086","0.0006","90","","90","","90","","2395.8","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H33 F4 I N P2 Rh -","- C18 H33 F4 I N P2 Rh -","- C72 H132 F16 I4 N4 P8 Rh4 -","4","1","","Noveski, Daniel; Braun, Thomas; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg","C-F or C-H bond activation and C-C coupling reactions of fluorinated pyridines at rhodium: synthesis, structure and reactivity of a variety of tetrafluoropyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4106","4119","10.1039/b414734k","","","0.71073","MoKα","","0.0276","0.0201","","","0.031","0.0329","","","","","","1.046","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014282","32.022","0.003","8.892","0.0009","18.852","0.0015","90","","111.804","0.007","90","","4983.9","0.8","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C19 H33 F4 I N O P2 Rh -","- C19 H33 F4 I N O P2 Rh -","- C152 H264 F32 I8 N8 O8 P16 Rh8 -","8","1","","Noveski, Daniel; Braun, Thomas; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg","C-F or C-H bond activation and C-C coupling reactions of fluorinated pyridines at rhodium: synthesis, structure and reactivity of a variety of tetrafluoropyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4106","4119","10.1039/b414734k","","","0.71073","MoKα","","0.0377","0.0231","","","0.0411","0.0449","","","","","","1.036","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014283","19.166","0.0001","10.092","0.0001","15.907","0.0002","90","","113.339","0.0005","90","","2825.03","0.05","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 F4 I2 N O P2 Rh -","- C20 H36 F4 I2 N O P2 Rh -","- C80 H144 F16 I8 N4 O4 P8 Rh4 -","4","1","","Noveski, Daniel; Braun, Thomas; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg","C-F or C-H bond activation and C-C coupling reactions of fluorinated pyridines at rhodium: synthesis, structure and reactivity of a variety of tetrafluoropyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4106","4119","10.1039/b414734k","","","0.71073","MoKα","","0.026","0.0203","","","0.0445","0.0461","","","","","","1.027","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014284","12.6822","0.0011","13.6037","0.0011","24.978","0.002","78.697","0.002","87.452","0.002","63.699","0.002","3783.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- As2 Cu4 H126 Na12 O168 W30 -","- As2 Cu4 Na12 O167.985 W30 -","- As2 Cu4 Na12 O167.985 W30 -","1","0.5","","Mbomekalle, Israel Martyr; Keita, Bineta; Nadjo, Louis; Hardcastle, Kenneth I.; Hill, Craig L.; Anderson, Travis M.","Semi-vacant Wells-Dawson anions. Synthesis of tri-tungsten-vacant derivatives and crystallographic studies of [alphabetabetaalpha-(Cu(II)OH2)2(Cu(II))2(AsW15(OH2)3(OH)O52)2]12-.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4094","4095","10.1039/b414831b","","","0.71073","MoKα","","0.0454","0.0405","","","0.0975","0.0998","","","","","","1.095","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7026970","11.317","0.0006","12.3768","0.0007","23.0336","0.0012","97.911","0.001","102.926","0.001","97.058","0.001","3074.9","0.3","96","2","96","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.9 H43.33 Cl0.27 Mn N5 O2.77 -","- C49.9 H43.3333 Cl0.266667 Mn N5 O2.76667 -","- C149.7 H130 Cl0.8 Mn3 N15 O8.3 -","3","1.5","","Zahran, Zaki N.; Lee, Jonghyuk; Alguindigue, Susan S.; Khan, Masood A.; Richter-Addo, George B.","Synthesis, characterization and molecular structures of six-coordinate manganese nitrosyl porphyrinsElectronic supplementary information (ESI) available: Molecular structure of (TTP)Mn(NO)(1-MeIm). See http://www.rsc.org/suppdata/dt/b3/b308143p/","Dalton Transactions","2004","","1","44","50","10.1039/b308143p","","","0.71073","MoKα","","0.0685","0.067","","","0.1769","0.1778","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7026971","14.9067","0.0008","15.0365","0.0008","15.8656","0.0009","104.709","0.001","90.832","0.001","97.34","0.001","3407.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.28 H42.56 Cl0.56 Mn N7 O -","- C52.28 H42.56 Cl0.56 Mn N7 O -","- C156.84 H127.68 Cl1.68 Mn3 N21 O3 -","3","1.5","","Zahran, Zaki N.; Lee, Jonghyuk; Alguindigue, Susan S.; Khan, Masood A.; Richter-Addo, George B.","Synthesis, characterization and molecular structures of six-coordinate manganese nitrosyl porphyrinsElectronic supplementary information (ESI) available: Molecular structure of (TTP)Mn(NO)(1-MeIm). See http://www.rsc.org/suppdata/dt/b3/b308143p/","Dalton Transactions","2004","","1","44","50","10.1039/b308143p","","","0.71073","MoKα","","0.0811","0.078","","","0.2205","0.222","","","","","","1.193","","","","has coordinates,has disorder","179975","2020-10-21","18:00:00",""
"7026972","12.1992","0.0016","12.7458","0.0017","15.151","0.002","90.136","0.002","90.287","0.002","99.228","0.002","2325.3","0.5","178","2","178","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H44 Cl2 Mn N7 O5 -","- C53 H44 Cl2 Mn N7 O5 -","- C106 H88 Cl4 Mn2 N14 O10 -","2","1","","Zahran, Zaki N.; Lee, Jonghyuk; Alguindigue, Susan S.; Khan, Masood A.; Richter-Addo, George B.","Synthesis, characterization and molecular structures of six-coordinate manganese nitrosyl porphyrinsElectronic supplementary information (ESI) available: Molecular structure of (TTP)Mn(NO)(1-MeIm). See http://www.rsc.org/suppdata/dt/b3/b308143p/","Dalton Transactions","2004","","1","44","50","10.1039/b308143p","","","0.71073","MoKα","","0.1437","0.075","","","0.1721","0.1896","","","","","","1.004","","","","has coordinates,has disorder","179975","2020-10-21","18:00:00",""
"7026973","10.641","0.002","24.267","0.005","10.424","0.002","90","","90","","90","","2691.7","0.9","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H42 O2 Se -","- C28 H40 O2 Se -","- C112 H160 O8 Se4 -","4","0.5","","Paine, Tapan K.; Weyherm�ller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni","Aerial oxidation of primary alcohols and amines catalyzed by Cu(ii) complexes of 2,2?-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atomsElectronic supplementary information (ESI) available: Molecular structures of H2LSe (Fig. S1), complex 2 [CuLSe(Et2NH)] (Fig. S2), complex 5 [(LSe)2(HLSe)Cu3(�2-OH)(CH3CN)] (Fig. S3) and EPR spectra for complexes 1, 4 and 5 with their simulations (Figs. S4?S7). Tables S1 and S2 list the bond lengths and angles for H2LSe and complex 5, respectively. See http://www.rsc.org/suppdata/dt/b4/b403953j/","Dalton Transactions","2004","","14","2092","2101","10.1039/b403953j","","","0.71073","MoKα","","0.0651","0.0474","","0.1213","0.1167","","","","0.953","1.114","1.114","","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7026974","14.1711","0.001","12.5356","0.0009","39.248","0.003","90","","94.96","0.02","90","","6946","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 Cu N O2 Se -","- C34 H55 Cu N O2 Se -","- C272 H440 Cu8 N8 O16 Se8 -","8","2","","Paine, Tapan K.; Weyherm�ller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni","Aerial oxidation of primary alcohols and amines catalyzed by Cu(ii) complexes of 2,2?-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atomsElectronic supplementary information (ESI) available: Molecular structures of H2LSe (Fig. S1), complex 2 [CuLSe(Et2NH)] (Fig. S2), complex 5 [(LSe)2(HLSe)Cu3(�2-OH)(CH3CN)] (Fig. S3) and EPR spectra for complexes 1, 4 and 5 with their simulations (Figs. S4?S7). Tables S1 and S2 list the bond lengths and angles for H2LSe and complex 5, respectively. See http://www.rsc.org/suppdata/dt/b4/b403953j/","Dalton Transactions","2004","","14","2092","2101","10.1039/b403953j","","","0.71073","MoKα","","0.1015","0.049","","0.1044","0.0891","","","","0.997","1.086","1.086","","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7026975","9.6208","0.0012","12.399","0.002","27","0.003","90","","95.35","0.02","90","","3206.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Cu N O2 Se -","- C32 H51 Cu N O2 Se -","- C128 H204 Cu4 N4 O8 Se4 -","4","1","","Paine, Tapan K.; Weyherm�ller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni","Aerial oxidation of primary alcohols and amines catalyzed by Cu(ii) complexes of 2,2?-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atomsElectronic supplementary information (ESI) available: Molecular structures of H2LSe (Fig. S1), complex 2 [CuLSe(Et2NH)] (Fig. S2), complex 5 [(LSe)2(HLSe)Cu3(�2-OH)(CH3CN)] (Fig. S3) and EPR spectra for complexes 1, 4 and 5 with their simulations (Figs. S4?S7). Tables S1 and S2 list the bond lengths and angles for H2LSe and complex 5, respectively. See http://www.rsc.org/suppdata/dt/b4/b403953j/","Dalton Transactions","2004","","14","2092","2101","10.1039/b403953j","","","0.71073","MoKα","","0.061","0.0503","","0.1339","0.1298","","","","1.128","1.194","1.194","","","","","has coordinates,has disorder","179975","2020-10-21","18:00:00",""
"7026976","13.831","0.001","14.797","0.002","18.613","0.002","95.22","0.01","90.96","0.01","113.85","0.01","3463.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H100 Cu2 N2 O5 Se2 -","- C70 H98 Cu2 N2 O5 Se2 -","- C140 H196 Cu4 N4 O10 Se4 -","2","1","","Paine, Tapan K.; Weyherm�ller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni","Aerial oxidation of primary alcohols and amines catalyzed by Cu(ii) complexes of 2,2?-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atomsElectronic supplementary information (ESI) available: Molecular structures of H2LSe (Fig. S1), complex 2 [CuLSe(Et2NH)] (Fig. S2), complex 5 [(LSe)2(HLSe)Cu3(�2-OH)(CH3CN)] (Fig. S3) and EPR spectra for complexes 1, 4 and 5 with their simulations (Figs. S4?S7). Tables S1 and S2 list the bond lengths and angles for H2LSe and complex 5, respectively. See http://www.rsc.org/suppdata/dt/b4/b403953j/","Dalton Transactions","2004","","14","2092","2101","10.1039/b403953j","","","0.71073","MoKα","","0.1477","0.0643","","0.1423","0.1199","","","","0.891","1.087","1.087","","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7026977","15.263","0.004","17.498","0.005","18.419","0.006","76.04","0.02","69.81","0.02","88.14","0.02","4474","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H128 Cu3 N2 O7 Se3 -","- C88 H127 Cu3 N2 O7 Se3 -","- C176 H254 Cu6 N4 O14 Se6 -","2","1","","Paine, Tapan K.; Weyherm�ller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni","Aerial oxidation of primary alcohols and amines catalyzed by Cu(ii) complexes of 2,2?-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atomsElectronic supplementary information (ESI) available: Molecular structures of H2LSe (Fig. S1), complex 2 [CuLSe(Et2NH)] (Fig. S2), complex 5 [(LSe)2(HLSe)Cu3(�2-OH)(CH3CN)] (Fig. S3) and EPR spectra for complexes 1, 4 and 5 with their simulations (Figs. S4?S7). Tables S1 and S2 list the bond lengths and angles for H2LSe and complex 5, respectively. See http://www.rsc.org/suppdata/dt/b4/b403953j/","Dalton Transactions","2004","","14","2092","2101","10.1039/b403953j","","","0.71073","MoKα","","0.2267","0.0883","","0.2404","0.1783","","","","0.925","1.132","1.132","","","","","has coordinates,has disorder","179975","2020-10-21","18:00:00",""
"7026978","14.0807","0.0008","14.7358","0.0008","22.7829","0.0012","77.247","0.002","80.203","0.002","80.814","0.002","4506.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H130 Cl2 Cu3 O8 Se3 -","- C87 H128 Cl2 Cu3 O8 Se3 -","- C174 H256 Cl4 Cu6 O16 Se6 -","2","1","","Paine, Tapan K.; Weyherm�ller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni","Aerial oxidation of primary alcohols and amines catalyzed by Cu(ii) complexes of 2,2?-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atomsElectronic supplementary information (ESI) available: Molecular structures of H2LSe (Fig. S1), complex 2 [CuLSe(Et2NH)] (Fig. S2), complex 5 [(LSe)2(HLSe)Cu3(�2-OH)(CH3CN)] (Fig. S3) and EPR spectra for complexes 1, 4 and 5 with their simulations (Figs. S4?S7). Tables S1 and S2 list the bond lengths and angles for H2LSe and complex 5, respectively. See http://www.rsc.org/suppdata/dt/b4/b403953j/","Dalton Transactions","2004","","14","2092","2101","10.1039/b403953j","","","0.71073","MoKα","","0.0809","0.0466","","0.1149","0.1027","","","","0.961","1.055","1.055","","","","","has coordinates,has disorder","179975","2020-10-21","18:00:00",""
"7026979","18.466","0.002","21.457","0.003","44.773","0.005","90","","100.57","0.02","90","","17439","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86.5 H125 Cl5 Cu2 O6 Se2 -","- C86.5 H125 Cl5 Cu2 O6 Se2 -","- C692 H1000 Cl40 Cu16 O48 Se16 -","8","1","","Paine, Tapan K.; Weyherm�ller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni","Aerial oxidation of primary alcohols and amines catalyzed by Cu(ii) complexes of 2,2?-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atomsElectronic supplementary information (ESI) available: Molecular structures of H2LSe (Fig. S1), complex 2 [CuLSe(Et2NH)] (Fig. S2), complex 5 [(LSe)2(HLSe)Cu3(�2-OH)(CH3CN)] (Fig. S3) and EPR spectra for complexes 1, 4 and 5 with their simulations (Figs. S4?S7). Tables S1 and S2 list the bond lengths and angles for H2LSe and complex 5, respectively. See http://www.rsc.org/suppdata/dt/b4/b403953j/","Dalton Transactions","2004","","14","2092","2101","10.1039/b403953j","","","0.71073","MoKα","","0.13","0.0751","","0.158","0.1379","","","","1.036","1.152","1.152","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7027863","12.024","0.003","19.102","0.005","47.828","0.012","90","","90","","90","","10985","5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H78 Ni2 O17 -","- C40 H78 Ni2 O17 -","- C320 H624 Ni16 O136 -","8","1","","Chaboussant, Gr�gory; Basler, Reto; G�del, Hans-Ulrich; Ochsenbein, Stefan; Parkin, Andrew; Parsons, Simon; Rajaraman, Gopalan; Sieber, Andreas; Smith, Andrew A.; Timco, Grigore A.; Winpenny, Richard E. P.","Nickel pivalate complexes: structural variations and magnetic susceptibility and inelastic neutron scattering studies","Dalton Transactions","2004","","17","2758","2766","10.1039/b406112h","","","0.71073","MoKα","","0.0829","0.0613","","","0.171","0.1818","","","","","","1.036","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7027864","15.929","0.002","15.433","0.002","42.067","0.007","90","","90","","90","","10341","3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32.5 H82 Ni4 O20.5 -","- C32.5 H82 Ni4 O20.5 -","- C260 H656 Ni32 O164 -","8","1","","Chaboussant, Gr�gory; Basler, Reto; G�del, Hans-Ulrich; Ochsenbein, Stefan; Parkin, Andrew; Parsons, Simon; Rajaraman, Gopalan; Sieber, Andreas; Smith, Andrew A.; Timco, Grigore A.; Winpenny, Richard E. P.","Nickel pivalate complexes: structural variations and magnetic susceptibility and inelastic neutron scattering studies","Dalton Transactions","2004","","17","2758","2766","10.1039/b406112h","","","1.54184","CuKα","","0.087","0.0615","","","0.1599","0.1737","","","","","","1.064","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7027865","12.708","0.002","13.924","0.003","18.59","0.006","90","","91.87","0.02","90","","3287.7","1.4","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H102 Ni4 O22 -","- C46 H102 Ni4 O22 -","- C92 H204 Ni8 O44 -","2","0.5","","Chaboussant, Gr�gory; Basler, Reto; G�del, Hans-Ulrich; Ochsenbein, Stefan; Parkin, Andrew; Parsons, Simon; Rajaraman, Gopalan; Sieber, Andreas; Smith, Andrew A.; Timco, Grigore A.; Winpenny, Richard E. P.","Nickel pivalate complexes: structural variations and magnetic susceptibility and inelastic neutron scattering studies","Dalton Transactions","2004","","17","2758","2766","10.1039/b406112h","","","0.71073","MoKα","","0.1292","0.0631","","","0.1401","0.17","","","","","","1.027","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7027866","17.86","0.003","11.678","0.0019","13.525","0.002","90","","90","","90","","2820.9","0.8","160","2","160","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H41 N2 Na O8 -","- C27 H41 N2 Na O8 -","- C108 H164 N8 Na4 O32 -","4","1","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.1151","0.0588","","","0.1399","0.1665","","","","","","1.032","","","","has coordinates,has disorder","179984","2020-10-21","18:00:00",""
"7027867","7.7685","0.0005","21.5359","0.0013","14.8774","0.0009","90","","103.254","0.002","90","","2422.7","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H33 N2 Na O5 -","- C21 H29 N2 Na O5 -","- C84 H116 N8 Na4 O20 -","4","1","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.0561","0.0366","","","0.0911","0.0955","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027868","25.053","0.004","13.698","0.002","17.424","0.003","90","","126.807","0.003","90","","4787.5","1.3","293","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 N2 Na O6 -","- C23 H33 N2 Na O6 -","- C184 H264 N16 Na8 O48 -","8","1","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.132","0.0553","","","0.1202","0.1471","","","","","","0.896","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027869","11.1195","0.0013","24.947","0.003","16.4669","0.0018","90","","100.675","0.003","90","","4488.8","0.9","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 K2 N4 O8 -","- C44 H56 K2 N4 O8 -","- C176 H224 K8 N16 O32 -","4","1","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.1591","0.0701","","","0.1637","0.1987","","","","","","0.878","","","","has coordinates,has disorder","179984","2020-10-21","18:00:00",""
"7027870","8.8527","0.0009","9.787","0.001","11.3106","0.0012","66.018","0.003","72.371","0.002","73.225","0.002","837.76","0.15","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 K N2 O10 -","- C31 H49 K N2 O10 -","- C31 H49 K N2 O10 -","1","0.5","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.0978","0.0657","","","0.1706","0.1801","","","","","","0.946","","","","has coordinates,has disorder","179984","2020-10-21","18:00:00",""
"7027871","15.3953","0.0012","11.1701","0.0008","20.056","0.002","90","","90.974","0.002","90","","3448.5","0.5","160","2","160","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H42 K2 N4 O6 -","- C34 H42 K2 N4 O6 -","- C136 H168 K8 N16 O24 -","4","0.5","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.0999","0.0534","","","0.116","0.1243","","","","","","0.864","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027872","36.589","0.004","11.3191","0.0012","26.225","0.003","90","","110.718","0.002","90","","10158.8","1.9","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H49 N2 O9 Rb -","- C31 H49 N2 O9 Rb -","- C372 H588 N24 O108 Rb12 -","12","1.5","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.0804","0.0569","","","0.1583","0.1751","","","","","","1.048","","","","has coordinates,has disorder","179984","2020-10-21","18:00:00",""
"7027873","10.5728","0.001","11.8518","0.0011","13.3647","0.0013","64.205","0.002","82.099","0.002","75.043","0.002","1456.1","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H41 N2 O8 Rb -","- C27 H41 N2 O8 Rb -","- C54 H82 N4 O16 Rb2 -","2","1","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.0616","0.0487","","","0.1372","0.1423","","","","","","1.074","","","","has coordinates,has disorder","179984","2020-10-21","18:00:00",""
"7027874","8.8231","0.0008","9.7887","0.0009","11.4293","0.001","65.64","0.002","73.435","0.002","73.737","0.002","846.86","0.13","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 N2 O10 Rb -","- C31 H49 N2 O10 Rb -","- C31 H49 N2 O10 Rb -","1","0.5","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.0489","0.0424","","","0.091","0.0924","","","","","","0.947","","","","has coordinates,has disorder","179984","2020-10-21","18:00:00",""
"7027875","10.5347","0.0006","14.4623","0.0008","16.3958","0.001","90","","96.175","0.002","90","","2483.5","0.2","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 N2 O6 Rb -","- C23 H33 N2 O6 Rb -","- C92 H132 N8 O24 Rb4 -","4","1","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.0277","0.021","","","0.0512","0.0522","","","","","","0.999","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027876","9.3413","0.0007","16.4045","0.0013","13.8278","0.0011","90","","93.531","0.002","90","","2114.9","0.3","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Mo N2 O10 -","- C18 H20 Mo N2 O10 -","- C72 H80 Mo4 N8 O40 -","4","1","","Brown, Emma J.; Whitwood, Adrian C.; Walton, Paul H.; Duhme-Klair, Anne-K.","Synthesis and characterisation of cis-dioxomolybdenum(vi) complexes of N-substituted 3-hydroxy-2-pyridinonesElectronic supplementary information (ESI) available: ORTEP plot and structural details of [MoO2(Lb)2]. See http://www.rsc.org/suppdata/dt/b4/b407221a/","Dalton Transactions","2004","","16","2458","2462","10.1039/b407221a","","","0.71073","MoKα","","0.0403","0.0298","","","0.0734","0.0775","","","","","","1.023","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027877","8.6398","0.0006","9.5991","0.0007","13.8244","0.001","93.643","0.002","91.379","0.001","106.703","0.001","1094.85","0.14","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Mo N3 O11 -","- C19 H23 Mo N3 O11 -","- C38 H46 Mo2 N6 O22 -","2","1","","Brown, Emma J.; Whitwood, Adrian C.; Walton, Paul H.; Duhme-Klair, Anne-K.","Synthesis and characterisation of cis-dioxomolybdenum(vi) complexes of N-substituted 3-hydroxy-2-pyridinonesElectronic supplementary information (ESI) available: ORTEP plot and structural details of [MoO2(Lb)2]. See http://www.rsc.org/suppdata/dt/b4/b407221a/","Dalton Transactions","2004","","16","2458","2462","10.1039/b407221a","","","0.71073","MoKα","","0.0314","0.029","","","0.0831","0.0844","","","","","","1.066","","","","has coordinates,has disorder","179984","2020-10-21","18:00:00",""
"7027878","10.0526","0.0005","14.6016","0.0007","12.0634","0.0005","90","","91.556","0.001","90","","1770.06","0.14","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Mo2 N4 O14 -","- C28 H48 Mo2 N4 O14 -","- C56 H96 Mo4 N8 O28 -","2","0.5","","Brown, Emma J.; Whitwood, Adrian C.; Walton, Paul H.; Duhme-Klair, Anne-K.","Synthesis and characterisation of cis-dioxomolybdenum(vi) complexes of N-substituted 3-hydroxy-2-pyridinonesElectronic supplementary information (ESI) available: ORTEP plot and structural details of [MoO2(Lb)2]. See http://www.rsc.org/suppdata/dt/b4/b407221a/","Dalton Transactions","2004","","16","2458","2462","10.1039/b407221a","","","0.71073","MoKα","","0.0277","0.0246","","","0.0683","0.0705","","","","","","1.057","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027879","7.0701","0.0014","14.165","0.003","7.6942","0.0015","90","","92.55","0.03","90","","769.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cd N O5 -","- C5 H4 Cd N O5 -","- C20 H16 Cd4 N4 O20 -","4","1","","Mao, Hongyan; Zhang, Changzheng; Li, Gang; Zhang, Hongyun; Hou, Hongwei; Li, Linke; Wu, Qingan; Zhu, Yu; Wang, Enbo","New types of the flexible self-assembled metal?organic coordination polymers constructed by aliphatic dicarboxylates and rigid bidentate nitrogen ligands","Dalton Transactions","2004","","22","3918","3925","10.1039/b410235e","","","0.71073","MoKα","","0.0411","0.0374","","","0.1017","0.1034","","","","","","1.14","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027880","7.8435","0.0016","8.3375","0.0017","12.786","0.003","90","","102.27","0.03","90","","817","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cd2 N2 O10 -","- C12 H12 Cd2 N2 O10 -","- C24 H24 Cd4 N4 O20 -","2","0.5","","Mao, Hongyan; Zhang, Changzheng; Li, Gang; Zhang, Hongyun; Hou, Hongwei; Li, Linke; Wu, Qingan; Zhu, Yu; Wang, Enbo","New types of the flexible self-assembled metal?organic coordination polymers constructed by aliphatic dicarboxylates and rigid bidentate nitrogen ligands","Dalton Transactions","2004","","22","3918","3925","10.1039/b410235e","","","0.71073","MoKα","","0.0404","0.0376","","","0.1092","0.1122","","","","","","1.176","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027881","7.753","0.0016","9.877","0.002","7.1772","0.0014","92.41","0.03","108.69","0.03","79.28","0.03","511.4","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Co N2 O12 -","- C14 H28 Co N2 O12 -","- C14 H28 Co N2 O12 -","1","0.5","","Mao, Hongyan; Zhang, Changzheng; Li, Gang; Zhang, Hongyun; Hou, Hongwei; Li, Linke; Wu, Qingan; Zhu, Yu; Wang, Enbo","New types of the flexible self-assembled metal?organic coordination polymers constructed by aliphatic dicarboxylates and rigid bidentate nitrogen ligands","Dalton Transactions","2004","","22","3918","3925","10.1039/b410235e","","","0.71073","MoKα","","0.036","0.0312","","","0.0766","0.0777","","","","","","1.15","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027882","7.7774","0.0016","9.855","0.002","7.1902","0.0014","92.11","0.03","108.59","0.03","79.32","0.03","513.2","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 N2 O12 Zn -","- C14 H28 N2 O12 Zn -","- C14 H28 N2 O12 Zn -","1","0.5","","Mao, Hongyan; Zhang, Changzheng; Li, Gang; Zhang, Hongyun; Hou, Hongwei; Li, Linke; Wu, Qingan; Zhu, Yu; Wang, Enbo","New types of the flexible self-assembled metal?organic coordination polymers constructed by aliphatic dicarboxylates and rigid bidentate nitrogen ligands","Dalton Transactions","2004","","22","3918","3925","10.1039/b410235e","","","0.71073","MoKα","","0.0532","0.0438","","","0.107","0.1109","","","","","","1.02","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7031080","6.1253","0.0003","18.8475","0.0008","12.1564","0.0005","90","","90.59","0.001","90","","1403.34","0.11","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.0545","0.0453","","","0.122","0.1324","","","","","","1.048","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031081","13.3526","0.0008","9.5984","0.0006","26.3471","0.0015","90","","90","","90","","3376.7","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N2 O4 V -","- C17 H19 N2 O4 V -","- C136 H152 N16 O32 V8 -","8","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.0875","0.0555","","","0.1338","0.1565","","","","","","1.056","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031082","6.7529","0.001","9.6314","0.0013","24.337","0.003","90","","90","","90","","1582.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N2 O3 V -","- C19 H15 N2 O3 V -","- C76 H60 N8 O12 V4 -","4","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.1028","0.0625","","","0.1413","0.1676","","","","","","1.045","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031083","12.4475","0.0006","29.3169","0.0014","6.9933","0.0003","90","","113.764","0.001","90","","2335.63","0.19","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H28 N O6 V -","- C25 H28 N O6 V -","- C100 H112 N4 O24 V4 -","4","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.0408","0.0347","","","0.0804","0.0845","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7031084","8.0992","0.0004","12.0724","0.0005","19.3885","0.0009","90","","90","","90","","1895.75","0.15","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N O4 V -","- C22 H20 N O4 V -","- C88 H80 N4 O16 V4 -","4","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.0425","0.0342","","","0.0801","0.0857","","","","","","1.056","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031085","15.3045","0.0007","8.8087","0.0004","13.3399","0.0006","90","","98.687","0.001","90","","1777.76","0.14","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4.5 V -","- C20 H17.5 N2 O4.5 V -","- C80 H70 N8 O18 V4 -","4","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.0363","0.0319","","","0.0865","0.0912","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031086","8.56","0.002","15.276","0.004","20.019","0.005","90","","90","","90","","2617.7","1.1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 Cl P2 Pd -","- C29 H29 Cl P2 Pd -","- C116 H116 Cl4 P8 Pd4 -","4","1","","Neo, Kian Eang; Neo, Yew Chin; Chien, Sheau Wei; Tan, Geok Kheng; Wilkins, Alistair L.; Henderson, William; Hor, T. S. Andy","[upper bond 1 start]PdCl[PPh(2)CH(2)CH(2)C[upper bond 1 end]HCH(2)CH(2)PPh(2)] as a precursor to homo- and hetero-metallic species directed by ESMS (electrospray ionisation mass spectrometry).","Dalton transactions (Cambridge, England : 2003)","2004","","15","2281","2287","10.1039/B403051F","","","0.71073","MoKα","","0.1034","0.0569","","","0.1194","0.1339","","","","","","0.962","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031087","7.6177","0.001","17.85","0.003","13.9471","0.0017","90","","122.147","0.012","90","","1605.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H50 Cl2 Cu2 N4 O10 -","- C20 H50 Cl2 Cu2 N4 O10 -","- C40 H100 Cl4 Cu4 N8 O20 -","2","0.5","","Pavlova, Svetlana V.; Chen, Kelvin H.-C.; Chan, Sunney I.","Spectroscopic characterization of the oxo-transfer reaction from a bis(mu-oxo)dicopper(III) complex to triphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2004","","20","3261","3272","10.1039/B406692H","","","0.71073","MoKα","","0.074","0.0355","","","0.0935","0.1084","","","","","","1.023","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031088","15.7063","0.0008","8.5582","0.0004","20.3643","0.001","90","","100.703","0.001","90","","2689.7","0.2","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C30 H20 Ag10 F24 N4 O22 -","- C30 H20 Ag10 F24 N4 O22 -","- C60 H40 Ag20 F48 N8 O44 -","2","0.5","","Zhao, Xiao-Li; Mak, Thomas C. W.","Silver cages with encapsulated acetylenediide as building blocks for hydrothermal synthesis of supramolecular complexes with n-cyanopyridine and pyridine-n-carboxamide (n=3, 4).","Dalton transactions (Cambridge, England : 2003)","2004","","20","3212","3217","10.1039/B406711H","","","0.71073","MoKα","","0.07","0.0567","","","0.1244","0.1314","","","","","","1.209","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031089","20.1547","0.001","24.0752","0.0012","15.3635","0.0008","90","","128.061","0.001","90","","5869.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Ag6 F12 N2 O11 -","- C16 H6 Ag6 F12 N2 O11 -","- C128 H48 Ag48 F96 N16 O88 -","8","1","","Zhao, Xiao-Li; Mak, Thomas C. W.","Silver cages with encapsulated acetylenediide as building blocks for hydrothermal synthesis of supramolecular complexes with n-cyanopyridine and pyridine-n-carboxamide (n=3, 4).","Dalton transactions (Cambridge, England : 2003)","2004","","20","3212","3217","10.1039/B406711H","","","0.71073","MoKα","","0.0515","0.0422","","","0.1096","0.1165","","","","","","1.03","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031090","18.3822","0.0011","55.376","0.003","15.8726","0.001","90","","94.286","0.001","90","","16112.1","1.6","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C114 H70 Ag24 F54 N24 O48 -","- C114 H70 Ag24 F54 N24 O48 -","- C456 H280 Ag96 F216 N96 O192 -","4","1","","Zhao, Xiao-Li; Mak, Thomas C. W.","Silver cages with encapsulated acetylenediide as building blocks for hydrothermal synthesis of supramolecular complexes with n-cyanopyridine and pyridine-n-carboxamide (n=3, 4).","Dalton transactions (Cambridge, England : 2003)","2004","","20","3212","3217","10.1039/B406711H","","","0.71073","MoKα","","0.0354","0.0327","","","0.0731","0.0752","","","","","","1.048","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031091","25.8682","0.0017","27.0056","0.0018","13.9584","0.0009","90","","120.923","0.001","90","","8365.1","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H8 Ag8 F18 N4 O12 -","- C26 H8 Ag8 F18 N4 O12 -","- C208 H64 Ag64 F144 N32 O96 -","8","1","","Zhao, Xiao-Li; Mak, Thomas C. W.","Silver cages with encapsulated acetylenediide as building blocks for hydrothermal synthesis of supramolecular complexes with n-cyanopyridine and pyridine-n-carboxamide (n=3, 4).","Dalton transactions (Cambridge, England : 2003)","2004","","20","3212","3217","10.1039/B406711H","","","0.71073","MoKα","","0.1158","0.0546","","","0.1473","0.174","","","","","","1.01","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031092","27.4459","0.0014","9.2926","0.0005","27.8251","0.0014","90","","117.106","0.001","90","","6317.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H16 Ag12 F24 N8 O16 -","- C44 H16 Ag12 F24 N8 O16 -","- C176 H64 Ag48 F96 N32 O64 -","4","1","","Zhao, Xiao-Li; Mak, Thomas C. W.","Silver cages with encapsulated acetylenediide as building blocks for hydrothermal synthesis of supramolecular complexes with n-cyanopyridine and pyridine-n-carboxamide (n=3, 4).","Dalton transactions (Cambridge, England : 2003)","2004","","20","3212","3217","10.1039/B406711H","","","0.71073","MoKα","","0.1047","0.077","","","0.1657","0.1827","","","","","","1.141","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031093","9.3838","0.0015","12.105","0.002","12.532","0.002","99.044","0.015","111.359","0.017","91.924","0.017","1302.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H10 Cl F5 N3 O3 Re -","- C22 H10 Cl F5 N3 O3 Re -","- C44 H20 Cl2 F10 N6 O6 Re2 -","2","1","","Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.","Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2004","","21","3678","3688","10.1039/B411341A","","","0.71073","MoKα","","0.0267","0.0223","","","0.0505","0.0514","","","","","","1.003","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031094","12.2261","0.0014","12.0913","0.0019","22.271","0.003","90","","99.635","0.012","90","","3245.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N5 Pt -","- C33 H23 N5 Pt -","- C132 H92 N20 Pt4 -","4","1","","Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.","Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2004","","21","3678","3688","10.1039/B411341A","","","0.71073","MoKα","","0.039","0.029","","","0.0717","0.0744","","","","","","1.052","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031095","12.055","0.002","12.376","0.003","13.047","0.002","108.288","0.014","100.199","0.015","99.195","0.013","1770","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H27 Cl N3 O4 Re -","- C36 H27 Cl N3 O4 Re -","- C72 H54 Cl2 N6 O8 Re2 -","2","1","","Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.","Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2004","","21","3678","3688","10.1039/B411341A","","","0.71073","MoKα","","0.0375","0.0284","","","0.0647","0.0668","","","","","","0.976","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031096","13.435","0.004","7.5867","0.0013","23.436","0.005","90","","105.215","0.014","90","","2305","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 Pt -","- C30 H23 N3 Pt -","- C120 H92 N12 Pt4 -","4","1","","Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.","Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2004","","21","3678","3688","10.1039/B411341A","","","0.71073","MoKα","","0.0524","0.0335","","","0.0696","0.0763","","","","","","1.012","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031097","8.908","0.003","12.523","0.004","20.764","0.005","90","","90","","90","","2316.3","1.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H17 Cl3 N3 O3 Re -","- C23 H17 Cl3 N3 O3 Re -","- C92 H68 Cl12 N12 O12 Re4 -","4","1","","Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.","Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2004","","21","3678","3688","10.1039/B411341A","","","0.71073","MoKα","","0.0474","0.0403","","","0.0846","0.0876","","","","","","1.069","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031098","22.253","0.007","8.776","0.003","26.835","0.013","90","","113.88","0.02","90","","4792","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 F12 N7 O P2 Ru -","- C50 H41 F12 N7 O P2 Ru -","- C200 H164 F48 N28 O4 P8 Ru4 -","4","1","","Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.","Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2004","","21","3678","3688","10.1039/B411341A","","","0.71073","MoKα","","0.2293","0.0721","","","0.1393","0.193","","","","","","0.935","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031099","12.628","0.003","6.8043","0.0016","16.02","0.004","90","","96.97","0.03","90","","1366.3","0.6","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 O1.5 -","- C8 H17 B10 O1.5 -","- C32 H68 B40 O6 -","4","1","","Boyd, Lynn A.; Clegg, William; Copley, Royston C. B.; Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Peace, Richard J.; Wade, Kenneth","Exo-pi-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X=F, OH or NH2) and related anions.","Dalton transactions (Cambridge, England : 2003)","2004","","17","2786","2799","10.1039/B406422D","","","0.71073","MoKα","","0.0704","0.0539","","","0.1326","0.1459","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031100","10.845","0.001","11.26","0.001","11.511","0.001","84.97","0.01","86.27","0.01","86.21","0.01","1394.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 B10 O P -","- C27 H33 B10 O P -","- C54 H66 B20 O2 P2 -","2","1","","Boyd, Lynn A.; Clegg, William; Copley, Royston C. B.; Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Peace, Richard J.; Wade, Kenneth","Exo-pi-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X=F, OH or NH2) and related anions.","Dalton transactions (Cambridge, England : 2003)","2004","","17","2786","2799","10.1039/B406422D","","","0.71073","MoKα","","0.1304","0.098","","","0.2034","0.2298","","","","","","1.338","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031101","10.6738","0.0007","22.31","0.0016","23.3165","0.0016","90","","102.677","0.002","90","","5417.1","0.6","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 N -","- C8 H16.5 B10 N -","- C128 H264 B160 N16 -","16","4","","Boyd, Lynn A.; Clegg, William; Copley, Royston C. B.; Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Peace, Richard J.; Wade, Kenneth","Exo-pi-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X=F, OH or NH2) and related anions.","Dalton transactions (Cambridge, England : 2003)","2004","","17","2786","2799","10.1039/B406422D","","","0.71073","MoKα","","0.1071","0.0691","","","0.1952","0.2193","","","","","","1.015","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031102","10.526","0.003","21.68","0.003","12.111","0.002","90","","115.48","0.02","90","","2495","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H35 B10 N4 O P -","- C14 H35 B10 N4 O P -","- C56 H140 B40 N16 O4 P4 -","4","2","","Boyd, Lynn A.; Clegg, William; Copley, Royston C. B.; Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Peace, Richard J.; Wade, Kenneth","Exo-pi-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X=F, OH or NH2) and related anions.","Dalton transactions (Cambridge, England : 2003)","2004","","17","2786","2799","10.1039/B406422D","","","1.54178","CuKα","","0.0762","0.0496","","0.1291","0.1143","","","","1.059","1.116","1.116","","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031103","8.0923","0.0003","14.866","0.0007","24.1238","0.0008","90","","90","","90","","2902.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 B20 S3 -","- C16 H30 B20 S3 -","- C64 H120 B80 S12 -","4","1","","Boyd, Lynn A.; Clegg, William; Copley, Royston C. B.; Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Peace, Richard J.; Wade, Kenneth","Exo-pi-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X=F, OH or NH2) and related anions.","Dalton transactions (Cambridge, England : 2003)","2004","","17","2786","2799","10.1039/B406422D","","","1.54184","CuKα","","0.0386","0.0317","","","0.0837","0.0903","","","","","","1.063","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7036828","10.633","","12.503","","16.08","","102.792","","95.658","","109.839","","1925.47","","","","","","","","","","","","","5","P -1","-P 1","2","","Ca36.82 Sr15.18 (Mo N4)12 N8 O3","","- Ca36.82 Mo12 N56 O3 Sr15.18 -","- Ca36.818 Mo12 N56 O3 Sr15.182 -","- Ca36.818 Mo12 N56 O3 Sr15.182 -","1","0.5","","Baker, C.F.; Barker, M.G.; Wilson, C.; Gregory, D.H.","New mixed alkaline-earth nitridomolybdate(VI) nitride oxides with anion-ordered sub-structures","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2004","2004","","1298","1303","","","","","","","","","","","","","","","","","","","","","","has coordinates","161789","2020-10-21","18:00:00",""
"7036830","10.602","","11.231","","16.781","","91.88","","106.06","","113.48","","1737.82","","","","","","","","","","","","","6","P -1","-P 1","2","","K6 (Eu (H2 O)7)2 (Te Mo6 O24)2 (H2 O)16","","- Eu2 H60 K6 Mo12 O78 Te2 -","- Eu2 K6 Mo12 O78 Te2 -","- Eu2 K6 Mo12 O78 Te2 -","1","0.5","","Drewes, D.; Limanski, E.M.; Krebs, B.","A series of novel lanthanide polyoxometalates: condensation of building blocks dependent on the nature of rare earth cations","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2004","2004","","2087","2091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036831","11.235","","16.779","","19.659","","71.51","","81.88","","88.14","","3479.12","","","","","","","","","","","","","6","P -1","-P 1","2","","K6 (Gd (H2 O)7)2 (Te Mo6 O24)2 (H2 O)16","","- Gd2 H60 K6 Mo12 O78 Te2 -","- Gd2 K6 Mo12 O78 Te2 -","- Gd4 K12 Mo24 O156 Te4 -","2","1","","Drewes, D.; Limanski, E.M.; Krebs, B.","A series of novel lanthanide polyoxometalates: condensation of building blocks dependent on the nature of rare earth cations","DALTON TRANSACTIONS (CAMBRIDGE, ENGLAND : 2003)","2004","2004","","2087","2091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7045143","8.535","0.003","12.681","0.005","13.502","0.005","88.059","0.006","80.181","0.007","79.768","0.006","1417","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","1,2-dimethylimidazolium bistrifluoromethylsulfonylimide","","","- C7 H9 F6 N3 O4 S2 -","- C7 H9 F6 N3 O4 S2 -","- C28 H36 F24 N12 O16 S8 -","4","2","","John David Holbrey; W. Matthew Reichert; Robin D. Rogers","Crystal structures of imidazolium bis(trifluoromethanesulfonyl)imide 'ionic liquid' salts: The first organic salt with a cis-TFSI anion conformation","Daltaon Transactions","2004","","","2267","2271","","","","0.71073","MoKα","","0.0443","0.0387","","","0.1052","0.1086","","","","","","1.054","","","","has coordinates","204482","2020-10-21","18:00:00",""
"7045144","13.353","0.011","8.368","0.007","17.113","0.014","90","","109.432","0.013","90","","1803","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1,2,3-triethylimidazolium bistrifluoromethansulfonylimide","","","- C11 H17 F6 N3 O4 S2 -","- C11 H17 F6 N3 O4 S2 -","- C44 H68 F24 N12 O16 S8 -","4","1","","John David Holbrey; W. Matthew Reichert; Robin D. Rogers","Crystal structures of imidazolium bis(trifluoromethanesulfonyl)imide 'ionic liquid' salts: The first organic salt with a cis-TFSI anion conformation","Daltaon Transactions","2004","","","2267","2271","","","","0.71073","MoKα","","0.0596","0.0513","","","0.1379","0.1465","","","","","","1.031","","","","has coordinates","204483","2020-10-21","18:00:00",""
"7050118","10.716","0.001","16.811","0.001","13.097","0.001","90","","104.23","0.01","90","","2287","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O2 S2 -","- C28 H24 N2 O2 S2 -","- C112 H96 N8 O8 S8 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0744","0.0634","","","0.1619","0.1712","","","","","","1.033","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050119","15.279","0.001","12.807","0.001","12.191","0.001","90","","94.51","0.01","90","","2378.1","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H21 Co N2 O2 S2 -","- C28 H21 Co N2 O2 S2 -","- C112 H84 Co4 N8 O8 S8 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0303","0.0276","","","0.0624","0.0636","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050120","11.383","0.001","11.383","0.001","18.347","0.001","90","","90","","90","","2377.3","0.3","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C28 H22 N2 O2 S2 Zn -","- C28 H22 N2 O2 S2 Zn -","- C112 H88 N8 O8 S8 Zn4 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0477","0.0375","","","0.0702","0.0737","","","","","","1.022","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050121","11.233","0.001","11.233","0.001","18.428","0.002","90","","90","","90","","2325.3","0.4","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C28 H22 N2 Ni O2 S2 -","- C28 H22 N2 Ni O2 S2 -","- C112 H88 N8 Ni4 O8 S8 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.2345","0.194","","","0.4342","0.4559","","","","","","1.112","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050122","10.75","0.001","12.299","0.001","12.656","0.001","84.38","0.01","67.41","0.01","70.99","0.01","1460","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H28 N2 Ni O2.5 S2 -","- C36.5 H28 N2 Ni O2.5 S2 -","- C73 H56 N4 Ni2 O5 S4 -","2","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.075","0.0507","","","0.1099","0.1229","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050123","22.994","0.001","7.612","0.001","17.98","0.002","90","","110.55","0.01","90","","2946.8","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N2 O2 S2 Zn -","- C36 H26 N2 O2 S2 Zn -","- C144 H104 N8 O8 S8 Zn4 -","4","0.5","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0529","0.0339","","","0.0664","0.0726","","","","","","1.036","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050124","13.929","0.0003","13.929","0.0003","14.231","0.0005","90","0.001","90","0.001","90","0.002","2761.06","0.13","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C16 H15 Co0.5 N O4 -","- C16 H15 Co0.5 N O4 -","- C128 H120 Co4 N8 O32 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.0787","0.0439","","","0.0924","0.106","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050125","13.925","0.002","13.925","0.002","14.181","0.003","90","","90","","90","","2749.8","0.8","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C16 H15 N Ni0.5 O4 -","- C16 H15 N Ni0.5 O4 -","- C128 H120 N8 Ni4 O32 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.1044","0.0746","","","0.1695","0.1863","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050126","13.925","0.002","13.925","0.002","14.181","0.003","90","","90","","90","","2749.8","0.8","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C15 H15 N O3 Zn0.5 -","- C15 H15 N O3 Zn0.5 -","- C120 H120 N8 O24 Zn4 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.0756","0.0382","","","0.0708","0.0818","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050127","17.254","0.0002","8.395","0.0004","15.994","0.0006","90","0.001","90","0.001","90","0.002","2316.69","0.14","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H12 N O2 -","- C14 H12 N O2 -","- C112 H96 N8 O16 -","8","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71069","MoKα","","0.0939","0.066","","","0.1532","0.1711","","","","","","1.054","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050128","18.373","0.008","5.489","0.004","11.369","0.004","90","","124.22","0.03","90","","948.1","0.9","122","2","122","2","","","","","","","","3","C 1 2 1","C 2y","5","Schiff base","N-[(1E)-1H-pyrrol-2-ylmethylene]benzene-1,2-diamine","","- C11 H11 N3 -","- C11 H11 N3 -","- C44 H44 N12 -","4","1","","Munro, Orde Q.; Strydom, Sandra D.; Grimmer, Craig D.","Complementary hydrogen bonding in a new tridentate Schiff base ligand: X-ray, DFT and solution NMR studiesElectronic supplementary information (ESI) available: unit cell packing diagram for 3 (Fig. S1) and 1H NMR spectra of 3 as a function of the concentration of added H2O in CDCl3 solution (Fig. S2). See http://www.rsc.org/suppdata/nj/b3/b305946d/","New Journal of Chemistry","2004","28","1","34","","10.1039/b305946d","","","0.71073","MoKα","","0.0382","0.0361","","","0.1","0.1016","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050129","11.13247","0.00012","20.67256","0.00017","7.44834","0.00005","90","","97.985","0.0006","90","","1697.52","0.03","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Nowell, Harriott; Paul Attfield, J.","X-Ray and neutron powder diffraction studies of the crystal structure of vitamin K3Electronic supplementary information (ESI) available: X-ray powder diffraction data. See http://www.rsc.org/suppdata/nj/b3/b306072a/","New Journal of Chemistry","2004","28","3","406","","10.1039/b306072a","powder diffraction","x-ray","0.598542","","","","","","","","","0.1076","","2.96","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050130","11.11103","0.00025","20.6416","0.0005","7.43426","0.0001","90","","97.949","0.0009","90","","1688.66","0.06","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Nowell, Harriott; Paul Attfield, J.","X-Ray and neutron powder diffraction studies of the crystal structure of vitamin K3Electronic supplementary information (ESI) available: X-ray powder diffraction data. See http://www.rsc.org/suppdata/nj/b3/b306072a/","New Journal of Chemistry","2004","28","3","406","","10.1039/b306072a","powder diffraction","","","","","","","","","","","","","2.72","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050131","29.5519","0.0012","10.0503","0.0005","19.316","0.0009","90","","112.005","0.004","90","","5319","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N3 O7 V -","- C26 H36 N3 O7 V -","- C208 H288 N24 O56 V8 -","8","1","","Jozef Tatiersky; Peter Schwendt; Jaromír Marek; Michal Sivák","Racemic vanadium(V) oxo monoperoxo complexes with two achiral bidentate heteroligands. Synthesis, characterization, crystal structure and stereochemistry of K[VO(O2)(ox)(bpy)]·3H2O and Pr4N[VO(O2)(ox)(phen)]","New J. Chem.","2004","28","1","127","133","10.1039/b306090j","","","0.71073","MoKα","","0.0576","0.0417","","","0.0954","0.1021","","","","","","1.004","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050132","9.6777","0.0005","13.8879","0.0006","12.7353","0.0006","90","","97.606","0.005","90","","1696.6","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 K N2 O10 V -","- C12 H14 K N2 O10 V -","- C48 H56 K4 N8 O40 V4 -","4","1","","Jozef Tatiersky; Peter Schwendt; Jaromír Marek; Michal Sivák","Racemic vanadium(V) oxo monoperoxo complexes with two achiral bidentate heteroligands. Synthesis, characterization, crystal structure and stereochemistry of K[VO(O2)(ox)(bpy)]·3H2O and Pr4N[VO(O2)(ox)(phen)]","New J. Chem.","2004","28","1","127","133","10.1039/b306090j","","","0.71073","MoKα","","0.0301","0.0245","","0.0634","0.0615","","","","1.004","1.038","1.038","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050133","9.755","0.004","8.478","0.003","17.791","0.003","90","","95.72","0.02","90","","1464","0.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Fe2 N4 O4 -","- C32 H30 Fe2 N4 O4 -","- C64 H60 Fe4 N8 O8 -","2","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0601","","","","0.1801","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050134","10.801","0.005","7.696","0.005","17.052","0.004","90","","95.1","0.03","90","","1411.8","1.2","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Fe2 N4 O2 -","- C34 H30 Fe2 N4 O2 -","- C68 H60 Fe4 N8 O4 -","2","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0501","","","","0.1478","","","","","","1.067","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050135","10.766","0.003","7.576","0.003","17.452","0.004","90","","94.59","0.02","90","","1418.9","0.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Fe2 N4 O2 -","- C34 H28 Fe2 N4 O2 -","- C68 H56 Fe4 N8 O4 -","2","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0492","","","","0.143","","","","","","1.047","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050136","7.406","0.003","19.131","0.007","20.727","0.003","90","","92.42","0.03","90","","2934.1","1.7","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Fe2 N4 O4 S -","- C32 H30 Fe2 N4 O4 S -","- C128 H120 Fe8 N16 O16 S4 -","4","1","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0407","","","","0.1287","","","","","","1.03","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050137","9.32","0.004","10.951","0.005","13.149","0.004","90","","99.32","0.03","90","","1324.3","0.9","296.3","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Fe N2 O2 -","- C34 H26 Fe N2 O2 -","- C68 H52 Fe2 N4 O4 -","2","1","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.042","","","","0.137","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050138","11.037","0.002","12.652","0.004","7.518","0.005","104.42","0.03","96.41","0.03","88.21","0.03","1010.4","0.8","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Fe N2 O6 -","- C23 H18 Fe N2 O6 -","- C46 H36 Fe2 N4 O12 -","2","1","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0419","","","","0.1119","","","","","","1.055","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050139","12.474","0.004","13.687","0.003","19.39","0.003","90","","94.1","0.02","90","","3302","1.4","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Fe2 N4 O8 -","- C38 H30 Fe2 N4 O8 -","- C152 H120 Fe8 N16 O32 -","4","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0521","","","","0.1638","","","","","","1.016","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050140","7.997","0.003","14.278","0.002","17.219","0.002","90","","90","","90","","1966.1","0.8","296.2","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H22 Fe N2 O5 -","- C20 H17 Fe N2 O5 -","- C80 H68 Fe4 N8 O20 -","4","0.5","","Horikoshi, Ryo; Nambu, Chisato; Mochida, Tomoyuki","Supramolecular assembly of ferrocenes via hydrogen bonds: dimensional variation in ferrocenylpyrimidine complexes with carboxylic acids and aromatic alcohols","New Journal of Chemistry","2004","28","1","26","","10.1039/b306699a","","","0.7107","MoKα","","","0.0565","","","","0.1707","","","","","","1.162","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7050141","9.433","0.001","10.255","0.001","12.18","0.002","81.66","0.01","87.44","0.01","73.95","0.01","1120.3","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O3 Sn -","- C24 H26 O3 Sn -","- C48 H52 O6 Sn2 -","2","1","","Chisholm, Malcolm H.; Delbridge, Ewan E.; Gallucci, Judith C.","Modeling the catalyst resting state in aryl tin(iv) polymerizations of lactide and estimating the relative rates of transamidation, transesterification and chain transferElectronic supplementary information (ESI) available: kinetic data of reactions C and E in Scheme 2. See http://www.rsc.org/suppdata/nj/b3/b306700a/","New Journal of Chemistry","2004","28","1","145","","10.1039/b306700a","","","0.71073","MoKα","","0.0312","0.024","","0.0554","0.0527","","","","1.081","1.1","1.1","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050142","11.554","0.001","11.075","0.001","19.704","0.002","90","","98.947","0.004","90","","2490.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N2 O4 Sn -","- C24 H34 N2 O4 Sn -","- C96 H136 N8 O16 Sn4 -","4","1","","Chisholm, Malcolm H.; Delbridge, Ewan E.; Gallucci, Judith C.","Modeling the catalyst resting state in aryl tin(iv) polymerizations of lactide and estimating the relative rates of transamidation, transesterification and chain transferElectronic supplementary information (ESI) available: kinetic data of reactions C and E in Scheme 2. See http://www.rsc.org/suppdata/nj/b3/b306700a/","New Journal of Chemistry","2004","28","1","145","","10.1039/b306700a","","","0.71073","MoKα","","0.0452","0.0349","","0.0979","0.0926","","","","1.036","1.087","1.087","","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050143","11.21","0.002","8.8436","0.0018","25.809","0.005","90","","98.39","0.03","90","","2531.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cl2 N4 O9 -","- C16 H38 Cl2 N4 O9 -","- C64 H152 Cl8 N16 O36 -","4","1","","Ali, Mahammad; Ray, Ambarish; Sheldrick, William S.; Mayer-Figge, H.; Gao, Song; Sahmes, Alexander I.","Synthesis, crystal structure, EPR and magnetic properties of a cyano-bridged Cuii?Niii heterobimetallic complex: an unusual structure with long-range ferromagnetic exchange through hydrogen bonding","New Journal of Chemistry","2004","28","3","412","","10.1039/b306866h","","","0.71073","MoKα","","0.1742","0.0737","","","0.14","0.1794","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050144","15.14","0.009","12.002","0.004","14.286","0.005","90","","115.62","0.04","90","","2341","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Cu N8 Ni -","- C20 H36 Cu N8 Ni -","- C80 H144 Cu4 N32 Ni4 -","4","0.5","","Ali, Mahammad; Ray, Ambarish; Sheldrick, William S.; Mayer-Figge, H.; Gao, Song; Sahmes, Alexander I.","Synthesis, crystal structure, EPR and magnetic properties of a cyano-bridged Cuii?Niii heterobimetallic complex: an unusual structure with long-range ferromagnetic exchange through hydrogen bonding","New Journal of Chemistry","2004","28","3","412","","10.1039/b306866h","","","0.71073","MoKα","","0.0906","0.0604","","","0.1568","0.1822","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050145","8.6072","0.0007","11.55","0.002","11.857","0.002","99.737","0.002","92.727","0.002","109.999","0.002","1084.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H9 Cu K N2 O7 -","- C6 H9 Cu K N2 O7 -","- C24 H36 Cu4 K4 N8 O28 -","4","2","","Malek, Kamilla; Vala, Martin; Swiatek-Kozlowska, Jolanta; Proniewicz, Leonard M.","Solid state study of the copper(ii) complex of 2-hydroxyiminopropanoic acidElectronic supplementary information (ESI) available: bond lengths, bond angles and hydrogen bonds for K[CuHL2]�H2O; harmonic frequencies, IR and Raman intensities and potential energy distributions for hpa and K[CuHL2]�H2O. See http://www.rsc.org/suppdata/nj/b3/b307066m/","New Journal of Chemistry","2004","28","4","477","","10.1039/b307066m","","","0.71073","MoKα","","0.0507","0.0333","","","0.0836","0.0893","","","","","","0.977","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050146","15.018","0.0015","5.0236","0.0005","9.9426","0.0006","90","","106.549","0.005","90","","719.04","0.11","240","2","240","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","hexanoic acid","hexanoic acid","","- C6 H12 O2 -","- C6 H12 O2 -","- C24 H48 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.7107","MoKα","","0.0732","0.0504","","","0.1253","0.1393","","","","","","1.053","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050147","16.0089","0.0015","5.0764","0.0004","10.1589","0.0007","90","","92.864","0.003","90","","824.56","0.12","230","2","230","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","heptanoic acid","heptanoic acid","","- C7 H14 O2 -","- C7 H14 O2 -","- C28 H56 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.7107","MoKα","","0.101","0.0624","","","0.1569","0.1855","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050148","18.6641","0.0011","4.9756","0.0003","9.5741","0.0005","90","","95.774","0.002","90","","884.59","0.09","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","octanoic acid","octanoic acid","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.7107","MoKα","","0.0853","0.0701","","","0.186","0.1963","","","","","","1.156","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050149","21.113","0.0003","4.9188","0.0006","10.1177","0.0007","90","","93.778","0.007","90","","1048.45","0.15","270","2","270","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","nonanoic acid","nonanoic acid","","- C9 H18 O2 -","- C9 H18 O2 -","- C36 H72 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.7107","MoKα","","0.1142","0.0719","","","0.1874","0.2205","","","","","","1.095","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050150","22.844","0.0016","4.9612","0.0003","9.3977","0.0006","90","","93.559","0.004","90","","1063.02","0.12","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","decanoic acid","decanoic acid","","- C10 H20 O2 -","- C10 H20 O2 -","- C40 H80 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.7107","MoKα","","0.1261","0.0925","","","0.2108","0.235","","","","","","1.091","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050151","25.839","0.003","4.9123","0.0004","10.0285","0.0011","90","","99.01","0.003","90","","1257.2","0.2","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","undecanoic acid","undecanoic acid","","- C11 H22 O2 -","- C11 H22 O2 -","- C44 H88 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.7107","MoKα","","0.1022","0.0714","","","0.183","0.2063","","","","","","1.103","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050152","27.563","0.002","4.9627","0.0003","9.5266","0.0006","90","","98.006","0.002","90","","1290.41","0.15","270","2","270","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dodecanoic acid","dodecanoic acid","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.7107","MoKα","","0.0881","0.0671","","","0.1621","0.1813","","","","","","1.186","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050153","59.88","0.002","4.9425","0.0002","9.8118","0.0005","90","","93.8","0.002","90","","2897.5","0.2","310","2","310","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tridecanoic acid","tridecanoic acid","","- C13 H26 O2 -","- C13 H26 O2 -","- C104 H208 O16 -","8","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.7107","MoKα","","0.0949","0.0597","","","0.1496","0.177","","","","","","1.079","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050154","31.559","0.003","4.9652","0.0005","9.426","0.0011","90","","94.432","0.004","90","","1472.6","0.3","270","2","270","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetradecanoic acid","tetradecanoic acid","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.7107","MoKα","","0.0722","0.0564","","","0.142","0.1526","","","","","","1.12","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050155","69.258","0.003","4.9556","0.0002","9.7197","0.0004","90","","98.024","0.002","90","","3303.3","0.2","330","2","330","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","pentadecanoic acid","pentadecanoic acid","","- C15 H30 O2 -","- C15 H30 O2 -","- C120 H240 O16 -","8","1","","Bond, Andrew D.","On the crystal structures and melting point alternation of the n-alkyl carboxylic acidsElectronic supplementary information (ESI) available: crystallographic data for C6?C15 in tabular and .cif format, full details of temperature calibration and density measurement, packing coefficients and lattice binding energies, formal definitions of the orthogonal cells, details of all projections and measurements of all geometric parameters referred to in the text. See http://www.rsc.org/suppdata/nj/b3/b307208h/","New Journal of Chemistry","2004","28","1","104","","10.1039/b307208h","","","0.71073","MoKα","","0.1315","0.0697","","","0.1564","0.1889","","","","","","1.118","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050156","8.949","0.002","9.856","0.002","8.358","0.002","102.12","0.03","110.5","0.03","74.78","0.03","660.6","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Ag N5 O4 -","- C12 H8 Ag N5 O4 -","- C24 H16 Ag2 N10 O8 -","2","1","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","199","10.1039/b307384j","","","0.71073","MoKα","","0.0529","0.0421","","0.0918","0.0884","","","","1.101","1.122","1.122","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050157","29.829","0.006","13.139","0.003","8.5558","0.0017","90","","105.95","0.03","90","","3224.1","1.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cu2 N4 O11 -","- C22 H22 Cu2 N4 O11 -","- C88 H88 Cu8 N16 O44 -","4","0.5","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","","10.1039/b307384j","","","0.71073","MoKα","","0.1342","0.0678","","","0.149","0.1692","","","","","","1.021","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050158","7.4061","0.0015","10.725","0.002","26.453","0.005","90","","96.11","0.03","90","","2089.2","0.7","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Co N4 O10 S -","- C14 H19 Co N4 O10 S -","- C56 H76 Co4 N16 O40 S4 -","4","1","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","","10.1039/b307384j","","","0.71073","MoKα","","0.0885","0.0547","","","0.1232","0.134","","","","","","1.07","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050159","4.1122","0.0008","13.463","0.003","23.674","0.005","90","","91.69","0.03","90","","1310.1","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd I2 N8 O2 -","- C24 H16 Cd I2 N8 O2 -","- C48 H32 Cd2 I4 N16 O4 -","2","0.5","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","","10.1039/b307384j","","","0.71073","MoKα","","0.0783","0.0644","","0.185","0.1569","","","","1.127","1.138","1.138","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050160","7.9571","0.0016","8.674","0.0017","11.326","0.002","94.31","0.03","110.17","0.03","94.66","0.03","726.9","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Mn N10 O4 S2 -","- C26 H20 Mn N10 O4 S2 -","- C26 H20 Mn N10 O4 S2 -","1","0.5","","Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu","Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer","New Journal of Chemistry","2004","28","2","191","","10.1039/b307384j","","","0.71073","MoKα","","0.069","0.0594","","","0.1722","0.1821","","","","","","1.043","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050161","13.261","0.002","6.604","0.002","13.588","0.002","90","","119.09","0.02","90","","1039.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 N O4 P -","- C9 H14 N O4 P -","- C36 H56 N4 O16 P4 -","4","1","","Jerzy Zon; Nikolaus Amrhein; Roman Gancarz; Maria Kucharska-Zon; R. Latajka; Piotr Miziak; W.Sawka-Dobrowolska; Wojciech Szczepanik; Borys Szefczyk","Experimental and ab initio calculated structures of 2-aminoindan-2-phosphonic acid, a potent inhibitor of phenylalanine ammonia-lyase, and theoretical studies of its binding to the model enzyme structure","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","0.051","0.0398","","","0.1097","0.114","","","","","","1.04","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050162","25.237","0.006","6.167","0.002","20.349","0.006","90","","122.95","0.03","90","","2657.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H18 N O6 P -","- C9 H18 N O6 P -","- C72 H144 N8 O48 P8 -","8","1","","Jerzy Zon; Nikolaus Amrhein; Roman Gancarz; Maria Kucharska-Zon; R. Latajka; Piotr Miziak; W.Sawka-Dobrowolska; Wojciech Szczepanik; Borys Szefczyk","Experimental and ab initio calculated structures of 2-aminoindan-2-phosphonic acid, a potent inhibitor of phenylalanine ammonia-lyase, and theoretical studies of its binding to the model enzyme structure","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.048","0.045","","","0.11","0.127","","","","","","0.93","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050163","27.3962","0.0016","27.3962","0.0016","12.6672","0.001","90","","90","","120","","8233.6","0.9","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H58 N8 Ni O4 -","- C28 H58 N8 Ni O4 -","- C252 H522 N72 Ni9 O36 -","9","0.5","","Gülay Gümüş; Vefa Ahsen; Colette Lebrun; Dominique Luneau; Jacques Pécaut","Unprecedented tubular channels assemblies afforded by alkyl-substituted oxamide oxime metal complexes","New J. Chem.","2004","28","2","177","179","10.1039/b307783g","","","0.71073","MoKα","","0.0977","0.0534","","","0.1508","0.1702","","","","","","1.006","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050164","27.8737","0.0019","27.8737","0.0019","12.4102","0.0013","90","","90","","120","","8350.2","1.2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H58 N8 O4 Pd -","- C28 H58 N8 O4 Pd -","- C252 H522 N72 O36 Pd9 -","9","0.5","","Gülay Gümüş; Vefa Ahsen; Colette Lebrun; Dominique Luneau; Jacques Pécaut","Unprecedented tubular channels assemblies afforded by alkyl-substituted oxamide oxime metal complexes","New J. Chem.","2004","28","2","177","179","10.1039/b307783g","","","0.71073","MoKα","","0.1684","0.046","","","0.1049","0.1504","","","","","","0.651","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050165","13.353","0.0001","17.5779","0.0001","17.4987","0.0002","90","","99.3274","0.0003","90","","4052.95","0.06","173","1","173","1","","","","","","","see text","9","P 1 n 1","P -2yac","7","Dichlorobis(triphenylphosphine oxide)zinc(ii)","","","- C81 H77 F3 N3 O6 P4 Re Ru S -","- C81 H77 F3 N3 O6 P4 Re Ru S -","- C162 H154 F6 N6 O12 P8 Re2 Ru2 S2 -","2","1","","Fritz E. Kühn; Jing-Lin Zuo; Fabrizia Fabrizi de Biani; Ana M. Santos; Yanmei Zhang; Jin Zhao; Angela Sandulache; Eberhardt Herdtweck","4-Ethynylpyridine as bridging moiety in mixed Ru/Re complexes","New J. Chem.","2004","28","1","43","51","10.1039/b307919h","","","0.71073","MoKα","","0.0431","0.0396","","","0.1015","0.104","","","","","","1.031","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050166","15.3648","0.0013","14.4941","0.0014","16.7893","0.0011","90.013","0.006","91.015","0.006","89.99","0.007","3738.4","0.5","293","","293","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 N2 O6 -","- C46 H42 N2 O6 -","- C184 H168 N8 O24 -","4","1","","Miroslav Dudič; Pavel Lhoták; Ivan Stibor; Hana Petříčková; Kamil Lang","(Thia)calix[4]arene‒porphyrin conjugates: novel receptors for fullerene complexation with C70 over C60 selectivity","New J. Chem.","2004","28","1","85","90","10.1039/b307988k","","","1.5418","CuKα","","0.2382","0.0953","","0.1347","0.0818","0.0814","","","","","","1.1779","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050167","18.037","0.003","17.973","0.002","19.697","0.002","90.007","0.009","112.25","0.01","90","0.01","5909.9","1.4","293","","293","","","","","","","","?","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 N2 O7 S4 -","- C60 H68 N2 O7 S4 -","- C240 H272 N8 O28 S16 -","4","1","","Miroslav Dudič; Pavel Lhoták; Ivan Stibor; Hana Petříčková; Kamil Lang","(Thia)calix[4]arene‒porphyrin conjugates: novel receptors for fullerene complexation with C70 over C60 selectivity","New J. Chem.","2004","28","1","85","90","10.1039/b307988k","","","1.5418","CuKα","","0.3075","0.1133","","0.2003","0.1011","0.101","","","","","","1.1699","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050168","15.777","0.003","10.409","0.002","15.932","0.003","90","","114.05","0.03","90","","2389.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl2 N4 Zn -","- C26 H20 Cl2 N4 Zn -","- C104 H80 Cl8 N16 Zn4 -","4","1","","Drew, Michael G. B.; Tocher, Derek A.; Chowdhury, Kiranmoy; Chowdhury, Shubhamoy; Datta, Dipankar","Zinc(ii) mediated synthesis of an N-substituted 2-(2-pyridyl)imidazole from a 1,2-diketone and 2-(aminomethyl)pyridine and its ligational behaviour","New Journal of Chemistry","2004","28","2","323","","10.1039/b308294f","","","0.71073","MoKα","","0.1102","0.0464","","0.3237","0.1135","","","","1.025","0.974","0.974","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050169","16.513","0.018","16.513","0.018","39.02","0.04","90","","90","","90","","10640","2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C52.5 H42 Cl3 N8 O8.5 Zn -","- C52.5 H40 Cl3.02 N8 O8.5 Zn -","- C420 H320 Cl24.16 N64 O68 Zn8 -","8","1","","Drew, Michael G. B.; Tocher, Derek A.; Chowdhury, Kiranmoy; Chowdhury, Shubhamoy; Datta, Dipankar","Zinc(ii) mediated synthesis of an N-substituted 2-(2-pyridyl)imidazole from a 1,2-diketone and 2-(aminomethyl)pyridine and its ligational behaviour","New Journal of Chemistry","2004","28","2","323","","10.1039/b308294f","","","0.71073","MoKα","","0.1336","0.1177","","","0.2299","0.2402","","","","","","1.243","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050170","15.7601","0.0002","8.9331","0.0001","22.1109","0.0003","90","","90","","90","","3112.92","0.07","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Mn N2 O5 -","- C17 H12 Mn N2 O5 -","- C136 H96 Mn8 N16 O40 -","8","1","","Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang","Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer","New Journal of Chemistry","2004","28","2","180","","10.1039/b308379a","","","0.71073","MoKα","","0.0686","0.0393","","","0.0921","0.1114","","","","","","1.148","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050171","15.6685","0.0011","8.8628","0.0005","21.9418","0.0013","90","","90","","90","","3047","0.3","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Fe N2 O5 -","- C17 H12 Fe N2 O5 -","- C136 H96 Fe8 N16 O40 -","8","1","","Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang","Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer","New Journal of Chemistry","2004","28","2","180","","10.1039/b308379a","","","0.71073","MoKα","","0.0664","0.0481","","","0.1115","0.1202","","","","","","1.074","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050172","15.9401","0.0008","9.0137","0.0004","22.0831","0.0011","90","","90","","90","","3172.9","0.3","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Cd N2 O5 -","- C17 H12 Cd N2 O5 -","- C136 H96 Cd8 N16 O40 -","8","1","","Wang, Chih-Chieh; Lin, Hui-Wen; Yang, Cheng-Han; Liao, Chen-Hui; Lan, Ia-Ting; Lee, Gene-Hsiang","Synthesis and structure of a novel two-dimensional bilayer framework of a [M(C5O5)(dpe)] coordination polymer","New Journal of Chemistry","2004","28","2","180","","10.1039/b308379a","","","0.71073","MoKα","","0.0341","0.0272","","","0.0636","0.0668","","","","","","1.044","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050173","14.449","0.004","14.449","0.004","17.537","0.005","90","0.005","90","0.005","90","0.005","3661.3","1.8","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 O20 S8 Tb -","- C64 H68 Cl3 O20 S8 Tb -","- C128 H136 Cl6 O40 S16 Tb2 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0797","0.0651","","","0.1577","0.1709","","","","","","1.002","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050174","14.488","0.002","14.488","0.002","17.49","0.004","90","","90","","90","","3671.2","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 Eu O20 S8 -","- C64 H72 Cl3 Eu O20 S8 -","- C128 H144 Cl6 Eu2 O40 S16 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0712","0.0674","","","0.1685","0.1745","","","","","","1.001","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050175","14.469","0.002","14.469","0.002","17.509","0.004","90","","90","","90","","3665.5","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 Gd O20 S8 -","- C64 H72 Cl3 Gd O20 S8 -","- C128 H144 Cl6 Gd2 O40 S16 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0769","0.0707","","","0.1806","0.1902","","","","","","0.989","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050176","14.508","0.002","14.508","0.002","17.559","0.004","90","","90","","90","","3695.9","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 La O20 S8 -","- C64 H72 Cl3 La O20 S8 -","- C128 H144 Cl6 La2 O40 S16 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.1099","0.0873","","","0.2195","0.2432","","","","","","1.002","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050177","14.426","0.002","14.426","0.002","17.487","0.004","90","","90","","90","","3639.2","1.1","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C64 H72 Cl3 O20 S8 Yb -","- C64 H72 Cl3 O20 S8 Yb -","- C128 H144 Cl6 O40 S16 Yb2 -","2","0.25","","Li, Jian-Rong; Bu, Xian-He; Zhang, Ruo-Hua; Duan, Chun-Ying; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Lanthanide perchlorate complexes with 1,4-bis(phenylsulfinyl)butane: structures and luminescent properties","New Journal of Chemistry","2004","28","2","261","","10.1039/b308473f","","","0.71073","MoKα","","0.0671","0.0669","","","0.1647","0.1651","","","","","","1.002","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050178","10.612","0.003","11.147","0.003","13.521","0.004","85.155","0.007","74.476","0.007","77.999","0.007","1506.7","0.7","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H31 F6 Fe2 N2 P -","- C32 H31 F6 Fe2 N2 P -","- C64 H62 F12 Fe4 N4 P2 -","2","1","","Carolina Manzur; César Zúñiga; Lorena Millán; Mauricio Fuentealba; Jose A. Mata; Jean-René Hamon; David Carrillo","Preparation, characterization and electrochemical and X-ray structural studies of new conjugated 1,1'-ferrocenediyl-ended [CpFe-arylhydrazone]+ salts","New J. Chem.","2004","28","1","134","144","10.1039/b308626g","","","0.71073","MoKα","","0.0949","0.0651","","","0.1192","0.1271","","","","","","1.174","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050179","12.573","0.0011","16.5448","0.0014","19.0521","0.0016","90","","90","","90","","3963.2","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(1,1'-ferrocenedicarboxaldehyde-di((eta$5!-cyclopentadienyl) (eta$6!-4-methoxiphenylhydrazone)iron(ii)))hexaflurophosphate","{1,1'-ferrocenedicarboxaldehyde-di[(η^5^-cyclopentadienyl) (η^6^-4-methoxiphenylhydrazone)iron(II)]}hexaflurophosphate","","- C18 H18 F6 Fe1.5 N2 O P -","- C18 H18 F6 Fe1.5 N2 O P -","- C144 H144 F48 Fe12 N16 O8 P8 -","8","1","","Carolina Manzur; César Zúñiga; Lorena Millán; Mauricio Fuentealba; Jose A. Mata; Jean-René Hamon; David Carrillo","Preparation, characterization and electrochemical and X-ray structural studies of new conjugated 1,1'-ferrocenediyl-ended [CpFe-arylhydrazone]+ salts","New J. Chem.","2004","28","1","134","144","10.1039/b308626g","","","0.71073","MoKα","","0.1291","0.0442","","","0.0951","0.0991","","","","","","0.606","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050180","12.064","0.005","19.817","0.005","11.242","0.005","90.268","0.005","114.159","0.005","88.532","0.005","2451.4","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H71 N O6 -","- C54 H47 N O6 -","- C108 H94 N2 O12 -","2","1","","Arena, Giuseppe; Contino, Annalinda; Longo, Elisa; Spoto, Giuseppe; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","An integrated approach to the study of the recognition of guests containing CH3 and CH2 acidic groups by differently rigidified cone p-tert-butylcalix[4]arene derivativesElectronic supplementary information (ESI) available: experimental conditions used for calorimetric measurements. See http://www.rsc.org/suppdata/nj/b3/b308996g/","New Journal of Chemistry","2004","28","1","56","","10.1039/b308996g","","","0.71069","MoKα","","0.2354","0.0765","","","0.1853","0.198","","","","","","0.832","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050181","11.237","0.005","19.743","0.005","12.286","0.005","90","0.005","113.688","0.005","90","0.005","2496","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H70 Cl N O6 -","- C54 H59 Cl0.99 N O6 -","- C108 H118 Cl1.98 N2 O12 -","2","1","","Arena, Giuseppe; Contino, Annalinda; Longo, Elisa; Spoto, Giuseppe; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","An integrated approach to the study of the recognition of guests containing CH3 and CH2 acidic groups by differently rigidified cone p-tert-butylcalix[4]arene derivativesElectronic supplementary information (ESI) available: experimental conditions used for calorimetric measurements. See http://www.rsc.org/suppdata/nj/b3/b308996g/","New Journal of Chemistry","2004","28","1","56","","10.1039/b308996g","","","0.71069","MoKα","","0.1478","0.0977","","","0.283","0.3275","","","","","","1.116","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050182","19.892","0.005","19.296","0.005","12.102","0.005","90","0.005","90.69","0.005","90","0.005","4645","3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C52 H71 N O4 -","- C52 H71 N O4 -","- C208 H284 N4 O16 -","4","1","","Arena, Giuseppe; Contino, Annalinda; Longo, Elisa; Spoto, Giuseppe; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","An integrated approach to the study of the recognition of guests containing CH3 and CH2 acidic groups by differently rigidified cone p-tert-butylcalix[4]arene derivativesElectronic supplementary information (ESI) available: experimental conditions used for calorimetric measurements. See http://www.rsc.org/suppdata/nj/b3/b308996g/","New Journal of Chemistry","2004","28","1","56","","10.1039/b308996g","","","1.54178","CuKα","","0.0581","0.0505","","","0.1735","0.1818","","","","","","1.472","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050183","13.644","0.003","14.574","0.005","17.816","0.004","90","","106.64","0.012","90","","3394.3","1.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N4 O2 -","- C17.5 H22 N4 O2 -","- C140 H176 N32 O16 -","8","2","","Isabel Iriepa; F. Javier Villasante; Enrique Gálvez; Juana Bellanato; Avelino Martín; Pilar Gómez-Sal","Synthesis, spectroscopic and crystallographic study of some carbamates from an azabicyclic chloroformate and primary heterocyclic amines","New J. Chem.","2004","28","5","618","624","10.1039/b309065e","","","0.71069","MoKα","","0.227","0.0846","","","0.2287","0.3129","","","","","","0.971","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050184","21.8166","0.0004","7.3939","0.0001","21.5138","0.0003","90","","118.016","0.0007","90","","3063.72","0.08","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,6-bis(hydrazonomethyl)pyridine)copper(ii) diperchlorate bis-acetone solvate","Bis[2,6-bis{hydrazonomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate","","- C20 H30 Cl2 Cu N10 O10 -","- C20 H30 Cl2 Cu N10 O10 -","- C80 H120 Cl8 Cu4 N40 O40 -","4","1","","Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.","Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres","New Journal of Chemistry","2004","28","2","228","","10.1039/b309071j","","","0.71073","MoKα","","0.0569","0.049","","","0.1317","0.1382","","","","","","1.061","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050185","7.1602","0.0001","13.2144","0.0003","17.3567","0.0003","107.677","0.0012","95.9665","0.0013","103.691","0.0008","1492.58","0.05","300","2","300","2","","","","","","","","6","P -1","-P 1","2","Bis(2,6-bis(oximomethyl)pyridine)copper(ii) diperchlorate bis- acetone solvate","Bis[2,6-bis{oximomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate","","- C20 H26 Cl2 Cu N6 O14 -","- C20 H26 Cl2 Cu N6 O14 -","- C40 H52 Cl4 Cu2 N12 O28 -","2","1","","Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.","Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres","New Journal of Chemistry","2004","28","2","228","","10.1039/b309071j","","","0.71073","MoKα","","0.0852","0.0633","","","0.1782","0.1979","","","","","","1.039","","","","has coordinates,has disorder","180055","2020-10-21","18:00:00",""
"7050186","6.9012","0.0002","13.1087","0.0003","17.5759","0.0004","107.264","0.0016","94.6164","0.0016","105.298","0.001","1442.65","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis(2,6-bis(oximomethyl)pyridine)copper(ii) diperchlorate bis- acetone solvate","Bis[2,6-bis{oximomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate","","- C20 H26 Cl2 Cu N6 O14 -","- C20 H26 Cl2 Cu N6 O14 -","- C40 H52 Cl4 Cu2 N12 O28 -","2","1","","Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.","Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres","New Journal of Chemistry","2004","28","2","228","","10.1039/b309071j","","","0.71073","MoKα","","0.0457","0.037","","","0.0943","0.1003","","","","","","1.024","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050187","6.858","0.0002","13.063","0.0003","17.5689","0.0005","107.265","0.0014","94.1119","0.0011","105.66","0.001","1427.36","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(2,6-bis(oximomethyl)pyridine)copper(ii) diperchlorate bis- acetone solvate","Bis[2,6-bis{oximomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate","","- C20 H26 Cl2 Cu N6 O14 -","- C20 H26 Cl2 Cu N6 O14 -","- C40 H52 Cl4 Cu2 N12 O28 -","2","1","","Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.","Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres","New Journal of Chemistry","2004","28","2","228","","10.1039/b309071j","","","0.71073","MoKα","","0.0504","0.0393","","","0.1066","0.114","","","","","","1.037","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050188","11.168","0.003","17.158","0.002","23.129","0.006","90","","96.68","0.02","90","","4401.9","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 Cl0 N2 O4 P2 Rh -","- C52 H46 N2 O4 P2 Rh -","- C208 H184 N8 O16 P8 Rh4 -","4","1","","Acharyya, Rama; Basuli, Falguni; Rosair, Georgina; Bhattacharya, Samaresh","Synthesis, structure and electrochemical properties of some oxime complexes of rhodium","New Journal of Chemistry","2004","28","1","115","","10.1039/b309412j","","","0.71073","MoKα","","0.12","0.0578","","","0.1113","0.1347","","","","","","1.014","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050189","6.7072","0.0005","16.0387","0.0011","8.1083","0.0005","90","","91.16","0.004","90","","872.07","0.1","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","","Graham, Duncan; Kennedy, Alan R.; McHugh, Callum J.; Smith, W. Ewen; David, William I. F.; Shankland, Kenneth; Shankland, Norman","The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene","New Journal of Chemistry","2004","28","1","161","","10.1039/b309792g","","","0.71073","MoKα","","0.0859","0.0645","","","0.1689","0.1835","","","","","","1.1","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050190","8.0136","0.0003","8.0502","0.0003","14.2752","0.0005","75.097","0.002","74.059","0.002","78.453","0.002","847.35","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","2","","Graham, Duncan; Kennedy, Alan R.; McHugh, Callum J.; Smith, W. Ewen; David, William I. F.; Shankland, Kenneth; Shankland, Norman","The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene","New Journal of Chemistry","2004","28","1","161","","10.1039/b309792g","","","0.71073","MoKα","","0.0711","0.0611","","","0.1794","0.1852","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050191","15.098","0.0004","3.9219","0.0001","16.4446","0.0005","90","","116.586","0.002","90","","870.77","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O5 -","- C7 H7 N3 O5 -","- C28 H28 N12 O20 -","4","1","","Graham, Duncan; Kennedy, Alan R.; McHugh, Callum J.; Smith, W. Ewen; David, William I. F.; Shankland, Kenneth; Shankland, Norman","The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene","New Journal of Chemistry","2004","28","1","161","","10.1039/b309792g","","","0.71073","MoKα","","0.0642","0.0417","","","0.1019","0.112","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050192","18.591","0.002","10.9955","0.0015","21.767","0.003","90","","100.15","0.014","90","","4379.9","1","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 O12 -","- C28 H36 O12 -","- C168 H216 O72 -","6","0.75","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.1291","0.0697","","","0.2529","0.305","","","","","","0.934","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050193","10.5028","0.0015","12.5327","0.0014","12.1758","0.0015","90","","92.081","0.016","90","","1601.6","0.4","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O4 S2 -","- C14 H18 O4 S2 -","- C56 H72 O16 S8 -","4","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.0513","0.0351","","","0.0894","0.0959","","","","","","0.993","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050194","6.7348","0.0015","7.0518","0.0015","11.256","0.002","75.3","0.03","73.98","0.03","71.04","0.03","478","0.2","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O6 -","- C10 H10 O6 -","- C20 H20 O12 -","2","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.039","0.0311","","","0.0763","0.079","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050195","19.461","0.003","5.7894","0.0007","32.412","0.006","90","","94.33","0.02","90","","3641.4","1","213","2","213","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 O6 -","- C18 H26 O6 -","- C144 H208 O48 -","8","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.075","0.0535","","","0.1245","0.1393","","","","","","1.058","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050196","8.694","0.002","9.24","0.003","9.899","0.003","110.1","0.03","98.04","0.03","98.76","0.03","722.1","0.4","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 Br2 O6 -","- C12 H12 Br2 O6 -","- C24 H24 Br4 O12 -","2","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.0715","0.058","","","0.1413","0.1481","","","","","","0.962","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050197","11.234","0.0013","7.4699","0.0011","20.184","0.002","90","","96.541","0.013","90","","1682.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br2 O6 -","- C14 H16 Br2 O6 -","- C56 H64 Br8 O24 -","4","1","","Bickley, Jamie; Bonar-Law, Richard; McGrath, Thomas; Singh, Nirmal; Steiner, Alexander","Dirhodium (ii) carboxylate complexes as building blocks. cis-Chelating dicarboxylic acids designed to bridge the dinuclear coreElectronic supplementary information (ESI) available: Tables S1 and S2. See http://www.rsc.org/suppdata/nj/b3/b310008a/","New Journal of Chemistry","2004","28","3","425","","10.1039/b310008a","","","0.71073","MoKα","","0.0424","0.0281","","","0.0598","0.0615","","","","","","0.797","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050198","24.9759","0.0007","24.9758","0.0007","16.2578","0.00029","90","0.0005","90","0.0005","90","0.0005","10141.5","0.4","","","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C20 H30 Br2 N4 O1.75 -","- C20 H30 Br2 N4 O1.75 -","- C320 H480 Br32 N64 O28 -","16","1","","Raphaël Tripier; Stéphanie Develay; Michel Le Baccon; Françoise Chuburu; François Michaud; Henri Handel","Self-assembly route from a bis-aminal derivative to a new cyclam based macropentacycle","New J. Chem.","2004","28","2","173","176","10.1039/b310074j","","","0.71073","MoK-alpha","","0.1022","0.0695","","0.2348","0.1947","","","","1.069","1.129","1.129","","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050199","9.369","0.002","16.409","0.002","16.632","0.002","90","","90","","90","","2556.9","0.7","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H10 Co4 O12 -","- C22 H10 Co4 O12 -","- C88 H40 Co16 O48 -","4","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0594","0.0439","","","0.0789","0.086","","","","","","1.043","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7050200","9.9757","0.0002","35.2755","0.0008","17.6562","0.0004","90","","106.167","0.009","90","","5967.5","0.4","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C68 H54 Co4 O8 P4 -","- C68 H54 Co4 O8 P4 -","- C272 H216 Co16 O32 P16 -","4","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71073","MoKα","","0.0595","0.0458","","0.271","0.0997","","","","1.131","1.148","1.148","","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050201","39.7446","0.0005","15.4562","0.0002","16.7757","0.0003","90","","91.171","0.001","90","","10303.2","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H32 Co4 O10 P2 -","- C45 H32 Co4 O10 P2 -","- C360 H256 Co32 O80 P16 -","8","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0842","0.0585","","","0.1882","0.2091","","","","","","1.048","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050202","40.5806","0.0005","11.9801","0.0002","36.1936","0.0005","90","","118.245","0.008","90","","15500.8","1.2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79.5 H70 Cl4 Co4 O10 P4 -","- C79.5 H68.5 Cl4 Co4 O10 P4 -","- C636 H548 Cl32 Co32 O80 P32 -","8","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0817","0.0578","","","0.1521","0.18","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050203","12.465","0.0004","12.9587","0.0005","13.8733","0.0004","69.498","0.002","73.291","0.002","81.816","0.002","2008.22","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl1.5 Co4 O13 S2 -","- C34 H28 Cl1.5 Co4 O13 S2 -","- C68 H56 Cl3 Co8 O26 S4 -","2","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.1009","0.0549","","","0.1278","0.1477","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050204","11.3551","0.0001","13.8087","0.0002","23.8944","0.0003","73.855","0.002","80.77","0.002","82.12","0.002","3535.32","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H70 Cl2 Co4 O8 P4 -","- C75 H70 Cl2 Co4 O8 P4 -","- C150 H140 Cl4 Co8 O16 P8 -","2","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0797","0.0564","","","0.1402","0.1543","","","","","","1.019","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050205","12.48","0.003","12.706","0.003","13.148","0.003","70.68","0.03","77.02","0.03","81.03","0.03","1909.6","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H40 Ga I2 N2 -","- C39 H47 Ga I2 N2 -","- C78 H94 Ga2 I4 N4 -","2","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0616","0.0512","","","0.1182","0.1252","","","","","","1.028","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050206","28.873","0.006","14.539","0.003","29.261","0.006","90","","101.29","0.03","90","","12046","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H92 Ga6 I12 N24 O4 -","- C96 H88 Ga6 I12 N24 O4 -","- C384 H352 Ga24 I48 N96 O16 -","4","0.5","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0898","0.0569","","","0.1194","0.1319","","","","","","1.059","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050207","11","0.002","12.525","0.003","21.899","0.004","105.18","0.03","94.44","0.03","99.69","0.03","2846.8","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H49 Ga2 I4 N13 O2 -","- C50 H47 Ga2 I4 N13 O2 -","- C100 H94 Ga4 I8 N26 O4 -","2","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0926","0.0553","","","0.1264","0.1446","","","","","","1.007","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050208","7.357","0.0015","13.306","0.003","13.759","0.003","99.44","0.03","97.59","0.03","102.53","0.03","1277.2","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Ga I3 N4 -","- C23 H18 Ga I3 N4 -","- C46 H36 Ga2 I6 N8 -","2","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0801","0.045","","","0.0857","0.097","","","","","","1.04","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050209","22.813","0.005","14.364","0.003","17.672","0.004","90","","124.81","0.03","90","","4755","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Ga2 I4 N4 -","- C36 H44 Ga2 I4 N4 -","- C144 H176 Ga8 I16 N16 -","4","0.5","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0445","0.0325","","","0.0696","0.0736","","","","","","1.046","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050210","9.617","0.0019","14.831","0.003","10.14","0.002","90","","107.11","0.03","90","","1382.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Ga2 I4 N4 -","- C20 H28 Ga2 I4 N4 -","- C40 H56 Ga4 I8 N8 -","2","0.5","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0326","0.029","","","0.0669","0.0683","","","","","","1.071","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050211","17.008","0.003","16.621","0.003","17.465","0.004","90","","90","","90","","4937.2","1.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cl3 In N2 O -","- C22 H30 Cl3 In N2 O -","- C176 H240 Cl24 In8 N16 O8 -","8","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0795","0.0463","","","0.0884","0.0995","","","","","","1.022","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050212","10.285","0.002","13.001","0.003","16.458","0.003","76.95","0.03","86.76","0.03","81.91","0.03","2121.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 Ga2 I6 N3 -","- C33 H43 Ga2 I6 N3 -","- C66 H86 Ga4 I12 N6 -","2","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0807","0.0655","","","0.1652","0.1757","","","","","","1.083","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050213","21.246","0.004","17.803","0.004","11.048","0.002","90","","90","","90","","4178.8","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H36 Ga I3 N10 -","- C38 H36 Ga I3 N10 -","- C152 H144 Ga4 I12 N40 -","4","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0595","0.0484","","","0.1109","0.1174","","","","","","1.035","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050214","23.869","0.002","23.869","0.002","6.4684","0.0005","90","","90","","120","","3191.5","0.5","253","2","253","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 Br3 N3 O3 -","- C21 H12 Br3 N3 O3 -","- C126 H72 Br18 N18 O18 -","6","0.333333","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0539","0.0343","","","0.056","0.0595","","","","","","0.9","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050215","5.9681","0.0004","13.6038","0.0012","16.0136","0.0013","111.029","0.009","91.527","0.009","96.39","0.01","1202.89","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H3.5 Cl0.5 F15 N3 O3 -","- C24.502 H3.506 Cl0.498 F15 N3 O3 -","- C49.004 H7.012 Cl0.996 F30 N6 O6 -","2","1","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0612","0.0352","","","0.0824","0.0898","","","","","","0.87","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050216","5.9555","0.0005","13.5912","0.0012","16.1207","0.0014","111.055","0.01","91.871","0.01","95.776","0.01","1208.2","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H5 F15 N3 O3 -","- C25 H5 F15 N3 O3 -","- C50 H10 F30 N6 O6 -","2","1","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0665","0.0382","","","0.0904","0.098","","","","","","0.845","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050217","6.2648","0.0006","17.8465","0.0017","20.782","0.002","86.114","0.012","84.699","0.012","88.033","0.011","2307.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 Br3 F12 N3 O3 -","- C21 Br3 F12 N3 O3 -","- C84 Br12 F48 N12 O12 -","4","2","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0658","0.0406","","","0.0936","0.1004","","","","","","0.972","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050218","5.996","0.0005","26.565","0.0015","13.533","0.001","90","","99.315","0.009","90","","2127.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H0 F15 N3 O3 -","- C21 F15 N3 O3 -","- C84 F60 N12 O12 -","4","2","","Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger","Modification of channel structures by fluorination","New J. Chem.","2004","28","3","393","397","10.1039/b311028a","","","0.71073","MoKα","","0.0457","0.0353","","","0.0813","0.085","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050219","9.828","0.002","15.632","0.003","20.084","0.004","90","","90","","90","","3085.5","1.1","180","2","180","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","Hexa(3-thienyl)cyclotriphosphazene","","- C25 H19 Cl3 N3 P3 S6 -","- C12.5 H9 Cl1.5 N1.5 P1.5 S3 -","- C100 H72 Cl12 N12 P12 S24 -","8","1","","Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau","Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives","New J. Chem.","2004","28","3","418","424","10.1039/b311046j","","","0.71073","MoKα","","0.0479","0.0407","","","0.1031","0.1078","","","","","","1.051","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050220","11.277","0.0016","9.1335","0.001","13.561","0.002","90","","101.044","0.017","90","","1370.9","0.3","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hexa-2-thienylcyclotrphosphazene","","- C24 H18 N3 P3 S6 -","- C24 H18 N3 P3 S6 -","- C48 H36 N6 P6 S12 -","2","1","","Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau","Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives","New J. Chem.","2004","28","3","418","424","10.1039/b311046j","","","0.71073","MoKα","","0.0284","0.0268","","","0.0712","0.0722","","","","","","1.045","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050221","19.42","0.002","15.7094","0.0016","20.428","0.004","90","","96.673","0.007","90","","6189.9","1.5","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H13 Cl3 N3 P3 S6 -","- C25 H13 Cl3 N3 P3 S6 -","- C200 H104 Cl24 N24 P24 S48 -","8","1","","Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau","Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives","New J. Chem.","2004","28","3","418","424","10.1039/b311046j","","","0.71073","MoKα","","0.122","0.0593","","","0.1099","0.1338","","","","","","0.994","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050222","12.487","0.004","17.799","0.005","20.803","0.006","113.601","0.004","91.155","0.005","91.297","0.005","4234","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Yb[6]PyNO","","","- C67 H95 N5 O49 S6 Yb2 -","- C67 H55 N5 O49 S6 Yb2 -","- C134 H110 N10 O98 S12 Yb4 -","2","1","","Atwood, Jerry L.; Dalgarno, Scott J.; Hardie, Michaele J.; Raston, Colin L.","Hydrogen-bonded arrays of a ytterbium(iii) p-sulfonatocalix[6]arene complex","New Journal of Chemistry","2004","28","2","326","","10.1039/b311288h","","","0.71073","MoKα","","0.0659","0.044","","","0.0999","0.1089","","","","","","1.028","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050223","10.7371","0.0017","14.083","0.003","17.183","0.003","90","","90","","90","","2598.3","0.8","293","2","293","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C20 H20 Cl4 F6 Fe N4 O2 P -","- C20 H18 Cl4 F6 Fe N4 O2 P -","- C80 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","0.5","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.2513","0.0816","","","0.1574","0.2337","","","","","","0.933","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050224","10.4143","0.0019","13.959","0.003","16.933","0.005","90","","90","","90","","2461.6","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H20 Cl5 Fe N4 O6 -","- C20 H20 Cl5 Fe N4 O6 -","- C80 H80 Cl20 Fe4 N16 O24 -","4","0.5","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.0737","0.0458","","","0.113","0.1248","","","","","","1.018","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050225","11.837","0.004","17.134","0.005","13.764","0.005","90","","113.08","0.02","90","","2568.1","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F6 Fe N4 O4.5 P -","- C22 F6 Fe N4 O4.5 P -","- C88 F24 Fe4 N16 O18 P4 -","4","1","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.2157","0.0954","","","0.2205","0.2952","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050226","12.934","0.0004","16.76","0.0005","24.609","0.0009","89.859","0.0015","89.597","0.0017","83.111","0.0017","5295.9","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Mn N5 O13 S -","- C52 H36.5 Mn N4.5 O11.5 S0.5 -","- C208 H146 Mn4 N18 O46 S2 -","4","2","","Shmilovits, Michaela; Vinodu, Mikki; Goldberg, Israel","Self-assembly patterns of porphyrins in crystals. Structures of hydrogen-bonding and coordination polymers of manganese tetra(carboxyphenyl)porphyrin","New Journal of Chemistry","2004","28","2","223","","10.1039/b312183f","","","0.71073","MoKα","","0.1329","0.0691","","","0.1652","0.1864","","","","","","1.045","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050227","13.691","0.0005","8.744","0.0003","20.593","0.0006","90","","91.695","0.002","90","","2464.19","0.14","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39.1 Mn N5 O11.55 -","- C48 H24 Mn N4 O10.55 -","- C96 H48 Mn2 N8 O21.1 -","2","0.5","","Shmilovits, Michaela; Vinodu, Mikki; Goldberg, Israel","Self-assembly patterns of porphyrins in crystals. Structures of hydrogen-bonding and coordination polymers of manganese tetra(carboxyphenyl)porphyrin","New Journal of Chemistry","2004","28","2","223","","10.1039/b312183f","","","0.71073","MoKα","","0.0796","0.0621","","","0.1773","0.1909","","","","","","1.046","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050228","7.893","0.002","7.901","0.002","15.805","0.005","85.564","0.005","84.968","0.005","62.449","0.005","869.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 Se2 -","- C18 H16 N2 O2 Se2 -","- C36 H32 N4 O4 Se4 -","2","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.0904","0.0708","","","0.1774","0.187","","","","","","0.973","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050229","7.7728","0.0007","7.7691","0.0006","15.5568","0.0013","85.376","0.005","85.84","0.007","63.251","0.007","835.48","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 S2 -","- C18 H16 N2 O2 S2 -","- C36 H32 N4 O4 S4 -","2","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","1.54178","CuKα","","0.0323","0.0318","","","0.0825","0.0827","","","","","","1.18","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050230","5.6512","0.001","7.9702","0.0014","30.441","0.005","90","","90","","90","","1371.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.0314","0.0306","","","0.0807","0.0819","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050231","7.3118","0.0006","15.2642","0.0012","17.2559","0.0014","90","","90","","90","","1925.9","0.3","93","2","93","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C9 H8 Br N O Se -","- C9 H8 Br N O Se -","- C72 H64 Br8 N8 O8 Se8 -","8","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.0605","0.0282","","","0.0515","0.0592","","","","","","0.967","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050232","15.416","0.003","17.917","0.003","7.8119","0.0012","90","","102.816","0.004","90","","2104","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 I N O Se -","- C9 H8 I N O Se -","- C72 H64 I8 N8 O8 Se8 -","8","2","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazoline","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.1363","0.0342","","","0.037","0.0456","","","","","","0.783","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050233","12.0601","0.0008","13.733","0.001","20.595","0.002","105.244","0.006","91.599","0.007","108.298","0.006","3101.8","0.5","173","","173","","","","","","","","Synthetic","4","P -1","-P 1","2","lid-shaped heptatitanate","(μ2-1,3-propanediolato(O,O'))-bis(μ4-oxo)-bis(μ3-oxo)-octakis(μ2-ethoxo)-decakis(ethoxy)-hepta-titanium","","- C39 H96 O24 Ti7 -","- C39 H96 O24 Ti7 -","- C78 H192 O48 Ti14 -","2","1","","Frédérique Biechel; Julien Dubuc; Marc Henry","General principles driving the chemical reactivity of titanium(IV) alkoxides","New J. Chem.","2004","28","6","764","769","10.1039/b312486j","","","0.71073","Mo-Kα","","0.148","0.051","","0.171","0.074","","","","3.45","1.39","1.39","","","","","has coordinates","194606","2020-10-21","18:00:00",""
"7050234","9.5168","0.0003","13.4861","0.0007","17.8842","0.0009","99.008","0.009","90.923","0.009","105.676","0.009","2178.6","0.2","173","","173","","","","","","","","Synthetic","4","P -1","-P 1","2","tentacular tetratitanate","(μ4-2,2-bis(hydroxymethyl)-1,3-propanediolato(O,O',O'',O'''))-tetrakis(μ2-ethoxo)-octakis(ethoxy)-tetra-titanium","","- C29 H68 O16 Ti4 -","- C29 H68 O16 Ti4 -","- C58 H136 O32 Ti8 -","2","1","","Frédérique Biechel; Julien Dubuc; Marc Henry","General principles driving the chemical reactivity of titanium(IV) alkoxides","New J. Chem.","2004","28","6","764","769","10.1039/b312486j","","","0.71073","Mo-Kα","","0.103","0.053","","0.119","","0.08","","","2.265","","","1.518","","","","has coordinates","194606","2020-10-21","18:00:00",""
"7050235","11.17","0.004","11.937","0.004","16.536","0.005","74.2","0.03","80.21","0.04","62.56","0.02","1880.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Cl N3 O10 Re -","- C33 H39 Cl N3 O10 Re -","- C66 H78 Cl2 N6 O20 Re2 -","2","1","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.0472","0.0371","","","0.0716","0.0743","","","","","","0.975","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050236","12.1864","0.0013","13.9338","0.0015","14.076","0.002","61.504","0.012","85.83","0.008","79.965","0.009","2068.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Cl N3 O3 Re -","- C23 H15 Cl N3 O3 Re -","- C92 H60 Cl4 N12 O12 Re4 -","4","2","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.0322","0.0259","","","0.0542","0.0561","","","","","","1.042","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050237","10.975","0.002","13.661","0.002","14.578","0.003","107.544","0.015","111.036","0.013","102.713","0.017","1808","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl N4 O3 Re -","- C18 H12 Cl N4 O3 Re -","- C72 H48 Cl4 N16 O12 Re4 -","4","2","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.046","0.0322","","","0.0607","0.065","","","","","","0.999","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050238","11.125","0.004","14.259","0.004","14.454","0.006","98.149","0.015","111.39","0.02","112.669","0.015","1860.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cl N4 O3 Re -","- C18 H12 Cl N4 O3 Re -","- C72 H48 Cl4 N16 O12 Re4 -","4","2","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.0702","0.0481","","","0.1067","0.1146","","","","","","0.951","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050239","9.1998","0.0015","21.486","0.004","21.451","0.004","90","","93.7","0.004","90","","4231.3","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl N4 O3 Re -","- C21 H18 Cl N4 O3 Re -","- C168 H144 Cl8 N32 O24 Re8 -","8","2","","Nail M. Shavaleev; Andrea Barbieri; Zöe R. Bell; Michael D. Ward; Francesco Barigelletti","New ligands in the 2,2'-dipyridylamine series and their Re(I) complexes; synthesis, structures and luminescence properties","New J. Chem.","2004","28","3","398","405","10.1039/b312647a","","","0.71073","MoKα","","0.0443","0.0274","","","0.0494","0.0534","","","","","","1.016","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050240","10.1741","0.0008","10.6139","0.0009","11.3542","0.0009","97.425","0.001","90.136","0.001","110.437","0.001","1137.81","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 N2 -","- C32 H28 N2 -","- C64 H56 N4 -","2","1","","Mateo Alajarín; Angel Vidal; María-Mar Ortín; Delia Bautista","Persistent radical effect in the intramolecular addition of benzylic radicals onto ketenimines: selective cross-coupling of α-(indol-2-yl)benzyl radicals with the 1-cyano-1-methylethyl radical","New J. Chem.","2004","28","5","570","577","10.1039/b312930f","","","0.71073","MoKα","","0.0442","0.0402","","","0.1033","0.1065","","","","","","1.021","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050241","7.646","0.001","21.303","0.002","12.505","0.001","90","","104.87","0.01","90","","1968.6","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 -","- C26 H24 N2 -","- C104 H96 N8 -","4","1","","Mateo Alajarín; Angel Vidal; María-Mar Ortín; Delia Bautista","Persistent radical effect in the intramolecular addition of benzylic radicals onto ketenimines: selective cross-coupling of α-(indol-2-yl)benzyl radicals with the 1-cyano-1-methylethyl radical","New J. Chem.","2004","28","5","570","577","10.1039/b312930f","","","0.71073","MoKα","","0.0748","0.04","","0.0882","0.0804","","","","0.858","1.01","1.01","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050242","18.3759","0.0004","25.4454","0.0008","8.74","0.0002","90","","97.257","0.002","90","","4053.93","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-bis-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-fluoren-9-one pyridine solvate","","- C53 H38 N2 O3 -","- C53 H38 N2 O3 -","- C212 H152 N8 O12 -","4","1","","Scott, Janet L.; Yamada, Tomohiko; Tanaka, Koichi","Guest specific solid-state fluorescence rationalised by reference to solid-state structures and specific intermolecular interactions","New Journal of Chemistry","2004","28","4","447","","10.1039/b312931d","","","0.71073","MoKα","","0.1746","0.0687","","","0.1377","0.1723","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050243","16.9301","0.0004","8.5045","0.0002","25.5885","0.0006","90","","92.569","0.001","90","","3680.58","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-bis-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-fluoren-9-one 3-acetylpyridine solvate","","- C50 H35 N O4 -","- C50 H35 N O4 -","- C200 H140 N4 O16 -","4","1","","Scott, Janet L.; Yamada, Tomohiko; Tanaka, Koichi","Guest specific solid-state fluorescence rationalised by reference to solid-state structures and specific intermolecular interactions","New Journal of Chemistry","2004","28","4","447","","10.1039/b312931d","","","0.71073","MoKα","","0.1821","0.0606","","","0.0974","0.1266","","","","","","0.962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050244","9.7909","0.0015","13.64","0.002","15.018","0.002","94.261","0.003","92.364","0.003","97.445","0.003","1980.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","JXH-II-076","","","- C21 H26 Fe I N -","- C21 H26 Fe I N -","- C84 H104 Fe4 I4 N4 -","4","2","","G. Gokel; Leonard J. Barbour; Jiaxin Hu","Ferrocene Derivatives as Receptors to Explore Ammonium Cation-pi Interactions","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1629","0.1182","","","0.2179","0.233","","","","","","1.279","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7050245","31.69","0.005","5.9141","0.0009","19.117","0.003","90","","110.715","0.003","90","","3351.2","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","JXH-II-076","","","- C40 H48 Fe2 N2 O -","- C40 H48 Fe2 N2 O -","- C160 H192 Fe8 N8 O4 -","4","0.5","","G. Gokel; Leonard J. Barbour; Jiaxin Hu","Ferrocene Derivatives as Receptors to Explore Ammonium Cation-pi Interactions","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0734","0.0433","","","0.0861","0.0972","","","","","","0.997","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050246","9.3614","0.0012","9.8737","0.0012","24.449","0.004","90","","90.81","0.03","90","","2259.6","0.5","150","","150","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C38 H60 Cl2 N8 O8 Ru S2 -","- C38 H60 Cl2 N8 O8 Ru S2 -","- C76 H120 Cl4 N16 O16 Ru2 S4 -","2","1","","Hotze, Anna C. G.; Kooijman, Huub; Spek, Anthony L.; Haasnoot, Jaap G.; Reedijk, Jan","Synthesis and characterization of ruthenium(ii) complexes with the new ligand 2-phenylazopyridine-5-sulfonic acid (Hsazpy): in search for new anticancer agents","New Journal of Chemistry","2004","28","5","565","","10.1039/b313746e","","x-ray","0.71073","MoKα","","0.0706","0.0577","","","0.1253","0.1348","","","","","","1.057","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050247","8.043","0.0003","11.427","0.0004","10.502","0.0005","90","","108.089","0.0017","90","","917.51","0.06","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","amidinium (2-hydroxyethoxy)acetate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta","Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations","New Journal of Chemistry","2004","28","5","646","","10.1039/b314143h","","","0.7107","MoKα","","0.0885","0.0476","","","0.1077","0.1388","","","","","","1.123","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050248","10.429","0.0004","7.727","0.0003","11.884","0.0006","90","","101.789","0.0014","90","","937.47","0.07","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","amidinium (2-hydroxyethoxy)acetate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta","Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations","New Journal of Chemistry","2004","28","5","646","","10.1039/b314143h","","","0.7107","MoKα","","0.0924","0.0465","","","0.1042","0.1343","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050249","10.0507","0.0004","9.2132","0.0005","7.7953","0.0006","90","","90","","90","","721.84","0.07","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Amidinium acetate","","- C4 H10 N2 O2 -","- C4 H10 N2 O2 -","- C16 H40 N8 O8 -","4","0.5","","Ferretti, Valeria; Bertolasi, Valerio; Pretto, Loretta","Supramolecular aggregation by means of charge-assisted hydrogen bonds in acid-base adducts containing amidinium cations","New Journal of Chemistry","2004","28","5","646","","10.1039/b314143h","","","0.7107","MoKα","","0.0745","0.0516","","","0.1486","0.171","","","","","","1.02","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050250","9.9117","0.0002","14.1651","0.0003","18.1568","0.0005","90","","90","","90","","2549.22","0.1","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-bis-fluoren-9-ylidene-succinic acid acetone solvate (1:1)","2,3-bis-fluoren-9-ylidene-succinic acid acetone solvate (1:1)","","- C33 H24 O5 -","- C33 H24 O5 -","- C132 H96 O20 -","4","1","","Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R.","Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules","New Journal of Chemistry","2004","28","3","329","","10.1039/b314192f","","","0.71073","MoKα","","0.0944","0.0545","","","0.122","0.1392","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050251","15.8893","0.0003","9.7361","0.0002","13.328","0.0002","90","","90","","90","","2061.84","0.07","203","2","203","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,3-bis-fluoren-9-ylidene-succinic acid","2,3-bis-fluoren-9-ylidene-succinic acid","","- C30 H18 O4 -","- C30 H18 O4 -","- C120 H72 O16 -","4","0.5","","Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R.","Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules","New Journal of Chemistry","2004","28","3","329","","10.1039/b314192f","","","0.71073","MoKα","","0.0518","0.0376","","","0.089","0.0949","","","","","","1.043","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050252","12.173","0.0001","12.3379","0.0002","17.7792","0.0002","90","","94.282","0.001","90","","2662.79","0.06","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,3-bis-fluoren-9-ylidene-succinic acid ethyl acetate solvate (1:1)","2,3-bis-fluoren-9-ylidene-succinic acid ethyl acetate solvate (1:1)","","- C34 H26 O6 -","- C34 H26 O6 -","- C136 H104 O24 -","4","1","","Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R.","Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules","New Journal of Chemistry","2004","28","3","329","","10.1039/b314192f","","","0.71073","MoKα","","0.06","0.039","","","0.0897","0.0978","","","","","","1.037","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050253","33.77","0.04","8.9","0.014","21.83","0.03","90","","128.805","0.01","90","","5113","12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 La N6 O14.5 -","- C19 H11 La N6 O14.5 -","- C152 H88 La8 N48 O116 -","8","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.1242","0.0784","","","0.2119","0.2361","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050254","9.094","0.013","9.561","0.013","15.038","0.017","98.736","0.01","100.343","0.01","93.335","0.01","1266","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N7 Nd O11 -","- C21 H14 N7 Nd O11 -","- C42 H28 N14 Nd2 O22 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.1796","0.0851","","","0.2113","0.2579","","","","","","0.977","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050255","8.769","0.012","9.483","0.012","15.525","0.017","99.735","0.01","98.239","0.01","93.805","0.01","1254","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N7 O11 Pr -","- C21 H14 N7 O11 Pr -","- C42 H28 N14 O22 Pr2 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.0531","0.0458","","","0.1487","0.1644","","","","","","0.961","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050256","8.618","0.009","9.458","0.012","15.445","0.017","100.457","0.01","97.727","0.01","94.181","0.01","1221","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Er N7 O11 -","- C21 H14 Er N7 O11 -","- C42 H28 Er2 N14 O22 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.0577","0.0454","","","0.1281","0.1392","","","","","","0.966","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050257","10.533","0.014","10.68","0.014","17.12","0.02","86.069","0.01","79.225","0.01","82.233","0.01","1873","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H24 Eu N9 O13 -","- C39 H22 Eu N9 O13 -","- C78 H44 Eu2 N18 O26 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.1679","0.1076","","","0.3053","0.3331","","","","","","1.086","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050258","10.527","0.014","10.643","0.014","17.09","0.02","86.191","0.01","79.141","0.01","82.187","0.01","1861","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H24 Gd N9 O13 -","- C39 H22 Gd N9 O13 -","- C78 H44 Gd2 N18 O26 -","2","1","","Drew, Michael G. B.; Hill, Clement; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Vaillant, Ludovic; Youngs, Tristan G. A.","Separation of lanthanides and actinides(iii) using tridentate benzimidazole, benzoxazole and benzothiazole ligands","New Journal of Chemistry","2004","28","4","462","","10.1039/b314321j","","","0.71073","MoKα","","0.0972","0.0706","","","0.1961","0.2218","","","","","","0.94","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050259","7.536","0.002","12.597","0.003","14.629","0.004","90","","99.77","0.02","90","","1368.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(Medpt)(N3)](ClO4)","","","- C7 H19 Cl Cu N6 O4 -","- C7 H19 Cl Cu N6 O4 -","- C28 H76 Cl4 Cu4 N24 O16 -","4","1","","Albert Escuer; Mercè Font-Bardía; Salah S. Massoud; Franz A. Mautner; Evaristo Peñalba; Xavier Solans; Ramon Vicente","Three new dinuclear copper(II) complexes with [Cu(μ1,3-N3)2Cu]2+ and [Cu(μ1,1-N3)2Cu]2+ asymmetrical cores: syntheses, structures and magnetic behaviour","New J. Chem.","2004","28","6","681","686","10.1039/b314526c","","","0.71069","MoKα","","0.0508","0.0387","","0.1014","0.0916","","","","1.08","1.099","1.099","","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050260","8.524","0.006","8.78","0.004","11.32","0.006","71.79","0.05","68.88","0.06","63.2","0.05","693.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H30 Cl2 Cu2 N12 O8 -","- C10 H30 Cl2 Cu2 N12 O8 -","- C10 H30 Cl2 Cu2 N12 O8 -","1","0.5","","Albert Escuer; Mercè Font-Bardía; Salah S. Massoud; Franz A. Mautner; Evaristo Peñalba; Xavier Solans; Ramon Vicente","Three new dinuclear copper(II) complexes with [Cu(μ1,3-N3)2Cu]2+ and [Cu(μ1,1-N3)2Cu]2+ asymmetrical cores: syntheses, structures and magnetic behaviour","New J. Chem.","2004","28","6","681","686","10.1039/b314526c","","","0.71069","MoKα","","0.0788","0.0654","","0.1907","0.1587","","","","1.076","1.089","1.089","","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050261","23.638","0.002","11.011","0.002","13.924","0.002","90","","104.65","0.02","90","","3506.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl2 Cu2 N12 O8 -","- C20 H50 Cl2 Cu2 N12 O8 -","- C80 H200 Cl8 Cu8 N48 O32 -","4","0.5","","Albert Escuer; Mercè Font-Bardía; Salah S. Massoud; Franz A. Mautner; Evaristo Peñalba; Xavier Solans; Ramon Vicente","Three new dinuclear copper(II) complexes with [Cu(μ1,3-N3)2Cu]2+ and [Cu(μ1,1-N3)2Cu]2+ asymmetrical cores: syntheses, structures and magnetic behaviour","New J. Chem.","2004","28","6","681","686","10.1039/b314526c","","","0.71069","MoKα","","0.0587","0.0455","","0.2011","0.1186","","","","0.915","0.912","0.912","","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050262","9.875","0.002","17.863","0.004","13.393","0.003","90","","106.64","0.03","90","","2263.4","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","C24 H16 Cl4 Cu2 N4","","","- C24 H16 Cl4 Cu2 N4 O0 -","- C24 H16 Cl4 Cu2 N4 -","- C96 H64 Cl16 Cu8 N16 -","4","1","","Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang","Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0344","0.0261","","","0.0457","0.047","","","","","","0.92","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050263","7.6507","0.0015","9.0871","0.0018","9.1094","0.0018","96.74","0.03","104.05","0.03","109.21","0.03","566.55","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cu I N2 -","- C12 H8 Cu I N2 -","- C24 H16 Cu2 I2 N4 -","2","1","","Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang","Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0381","0.0333","","","0.0918","0.0939","","","","","","1.035","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050264","19.627","0.005","14.827","0.003","15.196","0.004","90","","103.057","0.018","90","","4308.1","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl2 Cu2 N4 -","- C24 H16 Cl2 Cu2 N4 -","- C192 H128 Cl16 Cu16 N32 -","8","1","","Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang","Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0768","0.036","","","0.08","0.089","","","","","","0.85","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050265","9.945","0.002","6.5064","0.0013","18.222","0.004","90","","91.23","0.03","90","","1178.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Br2 Cu I0 N2 -","- C12 H8 Br2 Cu N2 -","- C48 H32 Br8 Cu4 N8 -","4","1","","Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang","Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0479","0.0285","","","0.06","0.0642","","","","","","0.97","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050266","10.04","0.002","14.516","0.003","16.319","0.003","90","","94.29","0.03","90","","2371.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Br1.5 Cu1.5 N2 -","- C12 H8 Br1.5 Cu1.5 N2 -","- C96 H64 Br12 Cu12 N16 -","8","1","","Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang","Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.076","0.039","","","0.0772","0.0887","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050267","10.0495","0.0008","15.0351","0.0012","16.8237","0.0012","90","","94.105","0.002","90","","2535.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu1.5 I1.5 N2 -","- C12 H8 Cu1.5 I1.5 N2 -","- C96 H64 Cu12 I12 N16 -","8","1","","Xu Ji-Qing; Hai-Ying Bie; Jing Lu; Jie-Hui Yu; Xiao Zhang","Syntheses, Characterization and Optical Properties of Some Copper(I) Halides with 1,10-Phenanthroline Ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0571","0.0386","","","0.0804","0.0859","","","","","","0.965","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050268","14.6951","0.0012","14.6951","0.0012","12.813","0.002","90","","90","","120","","2396.2","0.5","120","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","catena-(octakis(μ ~3~-hydroxo)-tris((μ ~2~-oxalato-O,O') -(piperazine-N,N'))-hepta-nickel)","","- C18 H38 N6 Ni7 O20 -","- C18 H38 N6 Ni7 O20 -","- C54 H114 N18 Ni21 O60 -","3","0.166667","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Ferromagnetic coupling in a heptanuclear nickel cluster with a vertex-shared dicubane structure","New Journal of Chemistry","2004","28","5","558","","10.1039/b315323a","","","0.71073","MoKα","","0.1032","0.0575","","","0.1164","0.1318","","","","","","1.033","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050269","7.4613","0.0003","8.9753","0.0004","17.5018","0.0009","90","","90","","90","","1172.05","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.03","0.0274","","","0.0781","0.0807","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050270","7.4667","0.0003","8.9827","0.0003","17.5438","0.0006","90","","90","","90","","1176.68","0.07","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0306","0.0277","","","0.0797","0.0829","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050271","23.052","0.007","8.9826","0.0008","12.684","0.003","90","","107.504","0.012","90","","2504.8","1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H26 Mn N2 O4 -","- C30 H26 Mn N2 O4 -","- C120 H104 Mn4 N8 O16 -","4","1","","Pradeep, Chullikkattil P.; Htwe, Tin; Zacharias, Panthapally S.; Das, Samar K.","First structurally characterized optically active mononuclear Mn(iv) complex: synthesis, crystal structure and properties of [MnivL2] {H2L?=?S-(?)-2-[(2-hydroxy-1-phenylethylimino)methyl]phenol}Electronic supplementary information (ESI) available: GC analysis of the styrene epoxidation; 1H NMR spectrum of (E)-stilbene oxide produced by the epoxidation of (E)-stilbene. See http://www.rsc.org/suppdata/nj/b3/b315658c/","New Journal of Chemistry","2004","28","6","735","","10.1039/b315658c","","","0.71073","MoKα","","0.0253","0.0236","","","0.0622","0.0633","","","","","","1.073","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050272","27.863","0.0005","11.4857","0.0002","7.5182","0.0001","90","","93.915","0.001","90","","2400.41","0.07","200","2","200","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N8 O5 -","- C24 H26 N8 O5 -","- C96 H104 N32 O20 -","4","1","","Carmen Alvarez-Rua; Santiago García-Granda; Shyamaprosad Goswami; Reshmi Mukherjee; Swapan Dey; Rosa M. Claramunt; M. Dolores Santa María; Isabel Rozas; Nadine Jagerovic; Ibon Alkorta; José Elguero","Multiple hydrogen bonds and tautomerism in naphthyridine derivatives","New J. Chem.","2004","28","6","700","707","10.1039/b315692c","","","1.5418","CuKα","","0.0697","0.0461","","","0.1221","0.1647","","","","","","0.962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050273","19.001","0.003","25.829","0.008","7.844","0.002","90","","90","","90","","3849.7","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C160 H160 N64 O16 -","16","1","","Carmen Alvarez-Rua; Santiago García-Granda; Shyamaprosad Goswami; Reshmi Mukherjee; Swapan Dey; Rosa M. Claramunt; M. Dolores Santa María; Isabel Rozas; Nadine Jagerovic; Ibon Alkorta; José Elguero","Multiple hydrogen bonds and tautomerism in naphthyridine derivatives","New J. Chem.","2004","28","6","700","707","10.1039/b315692c","","","1.5418","CuKα","","0.085","0.0482","","","0.0994","0.1184","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050274","19.5212","0.0013","13.7568","0.0011","26.832","0.002","90","","111.705","0.003","90","","6694.8","0.9","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Cd(IIMB)2(H2O)(SO4))-7.5H2O","[Cd(IIMB)2(H2O)(SO4)]-7.5H2O","","- C26 H41 Cd N8 O12.5 S -","- C26 H32 Cd N8 O12.5 S -","- C208 H256 Cd8 N64 O100 S8 -","8","1","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu","Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.1038","0.0616","","","0.1457","0.1577","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050275","8.898","0.0005","12.7568","0.0005","14.3176","0.0003","63.556","0.002","80.625","0.002","70.607","0.002","1372.37","0.1","200","","200","","","","","","","","","6","P -1","-P 1","2","(Cd(IIMB)2Cl2)-H2O","[Cd(IIMB)2Cl2]-H2O","","- C26 H26 Cd Cl2 N8 O -","- C26 H26 Cd Cl2 N8 O -","- C52 H52 Cd2 Cl4 N16 O2 -","2","1","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu","Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.0941","0.0424","","","0.063","0.0715","","","","","","0.908","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050276","29.0122","0.0009","12.1985","0.0004","16.5499","0.0006","90","","104.885","0.0008","90","","5660.6","0.3","200","","200","","","","","","","","","5","C 1 c 1","C -2yc","9","(Cd(IIMB)4(H2O)2)(NO3)2-5(H2O)","[Cd(IIMB)4(H2O)2](NO3)2-5(H2O)","","- C52 H62 Cd N18 O13 -","- C52 H48 Cd N18 O13 -","- C208 H192 Cd4 N72 O52 -","4","1","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu","Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.0852","0.0487","","","0.1124","0.1206","","","","","","0.855","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050277","8.828","0.0004","9.2669","0.0003","23.8138","0.0009","90","","91.6407","0.0013","90","","1947.37","0.13","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Cd(IIMB)(OAc)2)-H2O","{Cd(IIMB)(OAc)2]-H2O","","- C17 H20 Cd N4 O5 -","- C17 H20 Cd N4 O5 -","- C68 H80 Cd4 N16 O20 -","4","1","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu","Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.0691","0.036","","","0.0605","0.0657","","","","","","0.951","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050278","19.26","0.02","14.45","0.02","26.8","0.06","90","","111.39","0.11","90","","6944","20","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Mn(IIMB)2(OSO3)(H2O))-8.2(H2O)","[Mn(IIMB)2(OSO3)(H2O)]-8.2(H2O)","","- C26 H42.43 Mn N8 O13.22 S -","- C26 H30 Mn N8 O13.215 S -","- C208 H240 Mn8 N64 O105.72 S8 -","8","1","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu","Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71075","MoKα","","0.0949","0.058","","","0.1605","0.1735","","","","","","0.933","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050279","28.14","0.03","12.158","0.011","16.671","0.014","90","","103.24","0.08","90","","5553","9","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Mn(IIMB)4(OH2)2)Cl2-5(H2O)","[Mn(IIMB)4(OH2)2]Cl2-5(H2O)","","- C52 H62 Cl2 Mn N16 O7 -","- C52 H52 Cl2 Mn N16 O7 -","- C208 H208 Cl8 Mn4 N64 O28 -","4","0.5","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu","Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71075","MoKα","","0.1081","0.0607","","","0.1571","0.1765","","","","","","0.904","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050280","14.8166","0.0003","18.2768","0.0004","24.8929","0.0006","69.9171","0.0005","75.1473","0.0007","88.2844","0.0009","6107.1","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","(Zn(IIMB)2)4(NO3)8-13.5(H2O)","[Zn(IIMB)2]4(NO3)8-13.5(H2O)","","- C104 H123 N40 O37.5 Zn4 -","- C20 H17 N40 O37.466 Zn4 -","- C40 H34 N80 O74.932 Zn8 -","2","1","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu","Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.1777","0.1005","","","0.2823","0.3211","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050281","20.548","0.003","7.194","0.001","24.526","0.005","90","","102.707","0.005","90","","3536.7","1","170","2","170","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","2,4-Diamino-6-phenyl-1,3,5-triazine","2,4-Diamino-6-phenyl-1,3,5-triazine","","- C9 H9 N5 -","- C9 H9 N5 -","- C144 H144 N80 -","16","2","","Antonio de la Hoz; Maria del Carmen Mateo; Angel Diaz-Ortiz; Jose Elguero; Concepcion Foces-Foces; A.Moreno; Ana Sanchez-Migallon; Gema Valiente","Green synthesis and self-association of 2,4-diamino-1,3,5-triazine derivatives","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.1916","0.0962","","","0.1789","0.2188","","","","","","1.086","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050282","12.1135","0.0011","12.4648","0.0009","16.1423","0.0013","90","","97.286","0.009","90","","2417.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-diamino-6-(1-phenylpyrazol-3-yl)-1,3,5-triazine","2,4-diamino-6-(1-phenylpyrazol-3-yl)-1,3,5-triazine","","- C12 H11 N7 -","- C12 H11 N7 -","- C96 H88 N56 -","8","2","","Antonio de la Hoz; Maria del Carmen Mateo; Angel Diaz-Ortiz; Jose Elguero; Concepcion Foces-Foces; A.Moreno; Ana Sanchez-Migallon; Gema Valiente","Green synthesis and self-association of 2,4-diamino-1,3,5-triazine derivatives","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","0.0901","0.0624","","","0.2077","0.2527","","","","","","1.009","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050283","12.3025","0.0013","12.0425","0.0012","19.841","0.003","90","","90","","90","","2939.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,4-diamino-6-piperidino-1,3,5-triazine","2,4-diamino-6-piperidino-1,3,5-triazine","","- C8 H14 N6 -","- C8 H14 N6 -","- C96 H168 N72 -","12","3","","Antonio de la Hoz; Maria del Carmen Mateo; Angel Diaz-Ortiz; Jose Elguero; Concepcion Foces-Foces; A.Moreno; Ana Sanchez-Migallon; Gema Valiente","Green synthesis and self-association of 2,4-diamino-1,3,5-triazine derivatives","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.068","0.0596","","","0.1591","0.1838","","","","","","1.006","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050284","38.6254","0.0007","12.3153","0.0002","21.5662","0.0005","90","","101.392","0.0007","90","","10056.6","0.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H144 Cl8 O4 Si8 Sn8 -","- C60 H144 Cl8 O4 Si8 Sn8 -","- C240 H576 Cl32 O16 Si32 Sn32 -","4","0.5","","Jens Beckmann; Dainis Dakternieks; Andrew Duthie; Fong Sheen Kuan; Klaus Jurkschat; Markus Schürman; Edward R. T. Tiekink","Synthesis and structures of new oligomethylene-bridged double ladders. How far can the layers be separated?","New J.Chem.(Nouv.J.Chim.)","2004","28","","1268","1276","10.1039/b316009b","","","0.71073","MoKα","","0.128","0.046","","","0.051","0.063","","","","","","0.88","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050285","13.169","0.002","22.458","0.006","11.489","0.001","94.79","0.01","98.67","0.009","76.67","0.02","3264","1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H200 Cl8 O4 Si8 Sn8 -","- C94 H200 Cl8 O4 Si8 Sn8 -","- C94 H200 Cl8 O4 Si8 Sn8 -","1","0.5","","Dainis Dakternieks; Jens Beckmann; Andrew Duthie; Fong Sheen Kuan","Synthesis and Structures of New Alkylidene Double Ladders. How Far Can The Layers Be Separated?","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050286","18.3507","0.0019","24.823","0.002","12.2041","0.0009","90","","94.768","0.005","90","","5540","0.8","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H128 Cl8 O4 Si8 Sn8 -","- C52 H128 Cl8 O4 Si8 Sn8 -","- C104 H256 Cl16 O8 Si16 Sn16 -","2","0.5","","Dainis Dakternieks; Jens Beckmann; Andrew Duthie; Fong Sheen Kuan","Synthesis and Structures of New Alkylidene Double Ladders. How Far Can The Layers Be Separated?","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.244","0.074","","","0.187","0.215","","","","","","0.82","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050287","49.8011","0.0013","25.1497","0.0007","12.1328","0.0003","90","","100.687","0.0015","90","","14932.5","0.7","173","1","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C107 H208 Cl8 O4 Si8 Sn8 -","- C107 H208 Cl8 O4 Si8 Sn8 -","- C428 H832 Cl32 O16 Si32 Sn32 -","4","0.5","","Dainis Dakternieks; Jens Beckmann; Andrew Duthie; Fong Sheen Kuan","Synthesis and Structures of New Alkylidene Double Ladders. How Far Can The Layers Be Separated?","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050288","6.6533","0.001","8.881","0.002","9.771","0.002","82.31","0.02","74.07","0.02","86.98","0.02","550.09","0.19","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 F3 P S -","- C8 H14 F3 P S -","- C16 H28 F6 P2 S2 -","2","1","","Alan Brisdon; Nicholas A. Barnes; F.R.William, Brown; Wendy Cross; Ian R. Crossley; Cheryl Fish; James V. Morey; Robin G. Pritchard; Lakhdar Sekhri","The synthesis and chemistry of fluorovinyl-containing phosphines, and the single crystal X-ray structure of SPPri2(CF=CF2).","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0472","0.0323","","","0.0744","0.0815","","","","","","1.008","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7050289","4.0185","0.0001","19.4997","0.0006","7.2382","0.0003","90","","92.118","0.005","90","","566.79","0.03","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H13 Cl Cu N2 O3 -","- C9 H13 Cl Cu N2 O3 -","- C18 H26 Cl2 Cu2 N4 O6 -","2","1","","N.Tounsi; L.Dupont; C.Cadiou; A.Mohamadou; R.Plantier-Royon; F.Massicot; C.Portella; M.Aplincourt","Complexes of amidic ligands derived from lactic acid: Equilibrium, synthesis and crystal structure of copper(II) complexes.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","Mo-Kα","","0.024","0.021","","0.04","","0.029","","","1.069","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050290","4.0535","0.0001","19.3293","0.0007","7.3828","0.0002","90","","92.357","0.005","90","","577.96","0.03","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H13 Br Cu N2 O3 -","- C9 H10 Br Cu N2 O3 -","- C18 H20 Br2 Cu2 N4 O6 -","2","1","","N.Tounsi; L.Dupont; C.Cadiou; A.Mohamadou; R.Plantier-Royon; F.Massicot; C.Portella; M.Aplincourt","Complexes of amidic ligands derived from lactic acid: Equilibrium, synthesis and crystal structure of copper(II) complexes.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","Mo-Kα","","0.049","0.033","","0.067","","0.041","","","1.262","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050291","14.1746","0.0007","14.7287","0.0007","12.9914","0.0006","90","","107.527","0.002","90","","2586.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Br2 Cl4 N2 P2 S2 -","- C52 H48 Br2 Cl4 N2 P2 S2 -","- C104 H96 Br4 Cl8 N4 P4 S4 -","2","0.5","","Paul Kelly; Mark R Bailey; Mark R.J.Elsegood; Liam M.Gilby; Kathryn E.Holmes; Michael J.Papageorgiou; Sarah Pedron-Haba","Reactions of mono- and bis-N-bromosulfimides with thio-ether crowns, phosphines and selenides","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0333","0.0269","","","0.0746","0.0784","","","","","","1.026","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050292","9.984","0.002","28.483","0.006","13.85","0.003","90","","92.243","0.004","90","","3935.8","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H84 B2 N2 P2 S2 -","- C102 H84 B2 N2 P2 S2 -","- C204 H168 B4 N4 P4 S4 -","2","0.5","","Paul Kelly; Mark R Bailey; Mark R.J.Elsegood; Liam M.Gilby; Kathryn E.Holmes; Michael J.Papageorgiou; Sarah Pedron-Haba","Reactions of mono- and bis-N-bromosulfimides with thio-ether crowns, phosphines and selenides","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1896","0.0854","","","0.1908","0.287","","","","","","1.081","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050293","9.4252","0.0005","14.7382","0.0008","18.3414","0.001","90","","95.367","0.002","90","","2536.6","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Br2 N2 O2 P2 S2 -","- C56 H52 Br2 N2 O2 P2 S2 -","- C112 H104 Br4 N4 O4 P4 S4 -","2","0.5","","Paul Kelly; Mark R Bailey; Mark R.J.Elsegood; Liam M.Gilby; Kathryn E.Holmes; Michael J.Papageorgiou; Sarah Pedron-Haba","Reactions of mono- and bis-N-bromosulfimides with thio-ether crowns, phosphines and selenides","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0836","0.0507","","","0.126","0.1455","","","","","","1.033","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050294","10.008","0.0017","10.0428","0.0017","20.281","0.003","103.872","0.003","96.43","0.003","95.884","0.003","1948.7","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H45 B N2 S4 -","- C44 H45 B N2 S4 -","- C88 H90 B2 N4 S8 -","2","1","","Paul Kelly; Mark R Bailey; Mark R.J.Elsegood; Liam M.Gilby; Kathryn E.Holmes; Michael J.Papageorgiou; Sarah Pedron-Haba","Reactions of mono- and bis-N-bromosulfimides with thio-ether crowns, phosphines and selenides","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0792","0.0452","","","0.0984","0.1119","","","","","","1.055","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050295","8.0966","0.0005","15.47","0.0009","16.7219","0.001","90","","97.16","0.002","90","","2078.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br N S Se -","- C24 H20 Br N S Se -","- C96 H80 Br4 N4 S4 Se4 -","4","1","","Paul Kelly; Mark R Bailey; Mark R.J.Elsegood; Liam M.Gilby; Kathryn E.Holmes; Michael J.Papageorgiou; Sarah Pedron-Haba","Reactions of mono- and bis-N-bromosulfimides with thio-ether crowns, phosphines and selenides","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0435","0.038","","","0.0857","0.0871","","","","","","1.302","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050296","11.439","0.0007","16.4905","0.001","19.0299","0.0011","90","","102.904","0.002","90","","3499","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H74 B2 N2 S2 Se2 -","- C90 H74 B2 N2 S2 Se2 -","- C180 H148 B4 N4 S4 Se4 -","2","0.5","","Paul Kelly; Mark R Bailey; Mark R.J.Elsegood; Liam M.Gilby; Kathryn E.Holmes; Michael J.Papageorgiou; Sarah Pedron-Haba","Reactions of mono- and bis-N-bromosulfimides with thio-ether crowns, phosphines and selenides","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0712","0.0389","","","0.0949","0.1046","","","","","","1.018","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050297","19.693","0.009","8.996","0.005","20.591","0.008","90","","97.57","0.03","90","","3616","3","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Cu(F3)2](ClO4)2-0.67(H2O)","","- C34 H33.35 Cl2 Cu N12 O8.67 -","- C34 H32 Cl2 Cu N12 O8.673 -","- C136 H128 Cl8 Cu4 N48 O34.692 -","4","1","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao","Syntheses, crystal structures and properties of copper(II) and cadmium(II) complexes containing novel tripodal ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71075","MoKα","","0.1579","0.056","","","0.0885","0.108","","","","","","0.744","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050298","8.86","0.006","10.518","0.007","12.331","0.008","81.71","0.05","76.18","0.05","82.76","0.05","1099.2","1.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Cu(F3)2][Cu(OCOCH2COO)2]-6(H2O)","","- C40 H48 Cu2 N12 O14 -","- C40 H48 Cu2 N12 O14 -","- C40 H48 Cu2 N12 O14 -","1","0.5","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao","Syntheses, crystal structures and properties of copper(II) and cadmium(II) complexes containing novel tripodal ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71075","MoKα","","0.0625","0.0379","","","0.0766","0.0803","","","","","","0.881","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050299","12.301","0.013","12.992","0.017","13.221","0.014","70.85","0.09","66.48","0.08","78.79","0.08","1825","4","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Cd(F3)2](NO3)2-H2O","","- C34 H34 Cd N14 O7 -","- C34 H32 Cd N14 O7 -","- C68 H64 Cd2 N28 O14 -","2","1","","Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao","Syntheses, crystal structures and properties of copper(II) and cadmium(II) complexes containing novel tripodal ligand","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71075","MoKα","","0.1558","0.0472","","","0.0659","0.0744","","","","","","0.663","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050300","10.5172","0.0005","13.5574","0.0006","14.6025","0.0007","117.086","0.001","95.729","0.001","103.286","0.001","1753.19","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 N6 O6 Ru -","- C39 H33 N6 O6 Ru -","- C78 H66 N12 O12 Ru2 -","2","1","","Das, Anindya; Peng, Shie-Ming; Lee, Gene-Hsiang; Bhattacharya, Samaresh","Synthesis, structure and electrochemical properties of a group of ruthenium(iii) complexes of N-(aryl)picolinamide","New Journal of Chemistry","2004","28","6","712","","10.1039/b317018g","","","0.71073","MoKα","","0.0368","0.0323","","","0.082","0.0844","","","","","","1.086","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050301","8.043","0.001","15.116","0.0012","8.934","0.0011","90","","96.65","0.012","90","","1078.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dimethylpyrazole 1:1 adduct with phenol","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0787","0.036","","","0.09","0.1033","","","","","","1","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050302","11.901","0.002","9.9022","0.0019","18.667","0.004","90","","90","","90","","2199.8","0.7","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-dimetylpyrazole 1:1 adduct with hydroquinone","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0444","0.0362","","","0.0912","0.096","","","","","","1.023","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050303","19.065","0.002","14.725","0.002","8.583","0.001","90","","114.8","0.02","90","","2187.3","0.6","223","2","223","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3,3',5,5'-tetramethyl-4,4'-bipyrazole 1:2 adduct with phenol","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C88 H104 N16 O8 -","4","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0481","0.0426","","","0.1196","0.1258","","","","","","1.036","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050304","7.3717","0.0007","14.1921","0.0014","16.4357","0.0016","98.782","0.002","94.46","0.002","103.055","0.002","1644.1","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetramethyl-4,4'-bipyrazole 1:1 adduct with hydroquinone","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C64 H80 N16 O8 -","4","2","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0891","0.0512","","","0.1345","0.1514","","","","","","0.946","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050305","18.27","0.003","8.5281","0.0011","21.054","0.004","90","","90","","90","","3280.4","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl 1:1 complex with Resorcinol","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C128 H160 N32 O16 -","8","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0724","0.0492","","","0.1277","0.1405","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050306","29.564","0.003","46.197","0.006","8.5541","0.001","90","","90","","90","","11683","2","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl 2:1 adduct with Floroglucine, Monohydrate","","- C26 H36 N8 O4 -","- C26 H36 N8 O4 -","- C416 H576 N128 O64 -","16","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0549","0.0432","","","0.1057","0.111","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050307","20.736","0.004","15.807","0.003","16.385","0.003","90","","116.93","0.03","90","","4788","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 N16 O4 -","- C52 H60 N16 O4 -","- C208 H240 N64 O16 -","4","0.5","","Liu, Simin; Wu, Xiaojun; Zhang, Shiwei; Yao, Junhua; Liang, Feng; Wu, Chengtai","Facile synthesis of novel macrocyclic polyamines derived from diphenylglycolurilElectronic supplementary information (ESI) available: ESI mass spectra of 5a, 6, alone and with added Ni(CH3COO)2, and 7. See http://www.rsc.org/suppdata/nj/b4/b400123k/","New Journal of Chemistry","2004","28","5","562","","10.1039/b400123k","","","0.71073","MoKα","","0.1268","0.0579","","","0.1435","0.1615","","","","","","0.835","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050308","10.4525","0.0004","13.0911","0.0005","17.7535","0.0006","81.517","0.001","78.849","0.002","70.818","0.001","2241.84","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","[Br(PPh3)(Py)Pd]2","Bromo(triphenylposphine)(2-pyridine)Paladium dimer","","- C51.5 H41.5 Br2 F N2.5 P2 Pd2 -","- C51.5 H41.5 Br2 F N2.5 P2 Pd2 -","- C103 H83 Br4 F2 N5 P4 Pd4 -","2","1","","Andrew Beeby; Sylvia Bettington; Ian J. S. Fairlamb; Andrés E. Goeta; Anant R. Kapdi; Elina H. Niemelä; Amber L. Thompson","A new precatalyst for the Suzuki reaction—a pyridyl-bridged dinuclear palladium complex as a source of mono-ligated palladium(0)","New J. Chem.","2004","28","5","600","605","10.1039/b401077a","","","0.71073","MoKα","","0.068","0.0431","","","0.0898","0.1002","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050309","11.571","0.002","11.724","0.002","14.461","0.002","90","","90","","90","","1961.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Methyl-2,4-dibromo-piridinium iodide","","- C6 H6 Br2 I N -","- C6 H6 Br2 I N -","- C48 H48 Br16 I8 N8 -","8","1","","Logothetis, Thomas A.; Meyer, Franck; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe","Crystal engineering of brominated tectons: N-methyl-3,5-dibromo-pyridinium iodide gives particularly short C?Br?I halogen bondingElectronic supplementary information (ESI) available: rotatable 3D versions of Fig. 1 and Fig. 3. See http://www.rsc.org/suppdata/nj/b4/b401421a/","New Journal of Chemistry","2004","28","6","760","","10.1039/b401421a","","","0.71073","MoKα","","0.0399","0.027","","","0.0679","0.0736","","","","","","1.039","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050310","12.4208","0.0009","12.684","0.0012","14.2246","0.0015","97.844","0.005","115.241","0.005","104.18","0.005","1889.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","gyefebh","","","- C86 H96 B2 Fe2 O4 P6 -","- C96.5 H84 B Fe2 P6 -","- C96.5 H84 B Fe2 P6 -","1","0.5","","Guilera, Gemma; Sean McGrady, G.; Steed, Jonathan W.; Kaltsoyannis, Nikolas","Expanding metallaborane chemistry: an octahedral BH6 moiety supported through M?H?B bridges","New Journal of Chemistry","2004","28","4","444","","10.1039/b401442c","","","0.71073","MoKα","","0.1704","0.1341","","","0.2043","0.2147","","","","","","1.318","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050311","14.304","0.001","14.304","0.001","42.791","0.007","90","","90","","120","","7581.9","1.5","294","2","294","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C34 H69 Cl Cr Cu2 N18 O4.5 -","- C34 H68 Cl Cr Cu2 N18 O4.5 -","- C204 H408 Cl6 Cr6 Cu12 N108 O27 -","6","0.5","","Zheng Xu; Song Gao; Xiao-Ping Shen; Gui Yin; Kai-Bei Yu","Crystal structure and magnetic behavior of a three-dimensional cyano-bridged assembly [CuL1]2[Cr(CN)6]ClO4¡Á0.5H2O (L1= 3,10-dipropyl-1,3,5,8,10,12- hexaazacyclotetradecane)","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1425","0.0435","","","0.0797","0.0951","","","","","","0.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050312","19.114","0.004","21.214","0.004","31.878","0.006","90","","94.56","0.03","90","","12885","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H124 Gd2 N16 O84 P2 W18 -","- C48 H104 Gd2 N16 O84 P2 W18 -","- C192 H416 Gd8 N64 O336 P8 W72 -","4","0.5","","Jingyang Niu; Dong-jie Guo; Jingping Wang; Jun-wei Zhao","Controlled assembly of polyoxometalate-based composite materials containing zero- and one-dimensional structures","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1031","0.0793","","","0.1803","0.1919","","","","","","1.119","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050313","19.229","0.004","23.776","0.005","24.237","0.005","90","","98.09","0.03","90","","10971","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H94.5 Gd2 N13.5 O75.5 P2 W18 -","- C40.5 H70.9 Gd2 N13.5 O75.5 P2 W18 -","- C162 H283.6 Gd8 N54 O302 P8 W72 -","4","1","","Jingyang Niu; Dong-jie Guo; Jingping Wang; Jun-wei Zhao","Controlled assembly of polyoxometalate-based composite materials containing zero- and one-dimensional structures","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0534","0.0391","","","0.0591","0.062","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050314","14.137","0.003","14.661","0.003","26.806","0.005","80.63","0.03","81.65","0.03","68.01","0.03","5061.9","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H80 Ce2 N6 O81 P2 W18 -","- C30 H54 Ce2 N6 O81 P2 W18 -","- C60 H108 Ce4 N12 O162 P4 W36 -","2","1","","Jingyang Niu; Dong-jie Guo; Jingping Wang; Jun-wei Zhao","Controlled assembly of polyoxometalate-based composite materials containing zero- and one-dimensional structures","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0767","0.0616","","","0.1345","0.1412","","","","","","1.091","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050315","7.5335","0.0011","7.5335","0.0011","71.976","0.014","90","","90","","90","","4084.9","1.2","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H26 Cl N O6 -","- C21 H26 Cl N O6 -","- C168 H208 Cl8 N8 O48 -","8","1","","John Smith; Elizabeth Balchin; Mike Bearpark; Anthony J. Horsewill; D. Malcolme-Lawes; M.Rowe; Jonathan Steed; David Stephenson; Weimin Wu","The Unusual Solid State Structure of Heroin Hydrochloride Monohydrate and its Selective Detection Using NQR Spectroscopy.","New J.Chem.(Nouv.J.Chim.)","2004","28","","1309","1314","10.1039/b401797h","","","0.71073","MoKα","","0.2057","0.0778","","","0.0943","0.1267","","","","","","1","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050316","7.1111","0.0012","7.8561","0.0013","9.031","0.0016","75.614","0.003","68.57","0.004","76.107","0.004","448.63","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Co N O7 -","- C7 H5 Co N O7 -","- C14 H10 Co2 N2 O14 -","2","1","","Jingyang Niu; Dong-jie Guo; Jingping Wang; Jun-wei Zhao","Controlled assembly of polyoxometalate-based composite materials containing zero- and one-dimensional structures","New J.Chem.(Nouv.J.Chim.)","2004","28","","980","987","10.1039/b401769b","","","0.71073","MoKα","","0.118","0.0889","","","0.2229","0.2615","","","","","","1.022","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050317","16.9596","0.0004","8.8949","0.0002","11.6793","0.0003","90","","94.87","0.03","90","","1755.51","0.07","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetraazacyclododecane-dihydrogenbromide-dihydrate","1,4,7,10-tetraazacyclododecane-dihydrogenbromide-dihydrate","","- C8 H28 Br4 N4 O2 -","- C8 H26 Br4 N4 O2 -","- C32 H104 Br16 N16 O8 -","4","0.5","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0724","0.0447","","","0.1029","0.1134","","","","","","0.98","","","","has coordinates","190835","2020-10-21","18:00:00",""
"7050318","25.4408","0.0004","8.0708","0.0003","16.7769","0.0002","90","","103.915","0.001","90","","3343.67","0.14","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetraazacyclododecane-dihydrogentriiodide-diiodine-diacetonitrile","1,4,7,10-tetraazacyclododecane-dihydrogentriiodide-diiodine-diacetonitrile","","- C12 H28 I10 N6 -","- C12 H28 I10 N6 -","- C48 H112 I40 N24 -","4","0.5","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0672","0.0428","","","0.0927","0.1032","","","","","","1.019","","","","has coordinates","190835","2020-10-21","18:00:00",""
"7050319","7.2793","0.0002","8.0716","0.0003","11.4099","0.0003","87.859","0.002","77.59","0.002","88.234","0.001","654.1","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","1,4,7,10,13,16-hexaazacyclooctadecane-hexahydrogenchloride- tetrahydrate","1,4,7,10,13,16-hexaazacyclooctadecane-hexahydrogenchloride-tetrahydrate","","- C12 H44 Cl6 N6 O4 -","- C12 H44 Cl6 N6 O4 -","- C12 H44 Cl6 N6 O4 -","1","0.5","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0855","0.0472","","","0.0873","0.1005","","","","","","0.973","","","","has coordinates","190835","2020-10-21","18:00:00",""
"7050320","21.5782","0.0001","6.2908","0.0005","17.4204","0.0006","90","","90","","90","","2364.7","0.2","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","1,4,7,10,13,16-hexaazacyclooctadecane-tetrahydrogenbromide- dihydrate","1,4,7,10,13,16-hexaazacyclooctadecane-tetrahydrogenbromide-dihydrate","","- C12 H38 Br4 N6 O2 -","- C12 H33 Br4 N6 O2 -","- C48 H132 Br16 N24 O8 -","4","1","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0881","0.0628","","","0.1499","0.1631","","","","","","1.015","","","","has coordinates","190835","2020-10-21","18:00:00",""
"7050321","8.1626","0.0002","22.7532","0.0005","8.2545","0.0002","90","","92.97","0.001","90","","1531.01","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4,7,10,13,16-hexaazacyclooctadecane-dihydrogentriiodide- dihydrogeniodide","1,4,7,10,13,16-hexaazacyclooctadecane-dihydrogentriiodide-dihydrogeniodide","","- C12 H34 I8 N6 -","- C12 H34 I8 N6 -","- C24 H68 I16 N12 -","2","0.5","","Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W.","Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~","New Journal of Chemistry","2004","28","9","1160","1167","10.1039/B401841A","","","0.71073","MoKα","","0.0602","0.0452","","","0.1092","0.1177","","","","","","1.03","","","","has coordinates","190835","2020-10-21","18:00:00",""
"7050322","9.059","0.001","7.515","0.001","12.102","0.004","90","","92.33","0.01","90","","823.2","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,5-dimethyl-3,6-bis-phenylethynylpyrazine","","","- C22 H16 N2 -","- C22 H16 N2 -","- C44 H32 N4 -","2","0.5","","Zhao, Liang; Perepichka, Igor F.; Türksoy, Figen; Batsanov, Andrei S.; Beeby, Andrew; Findlay, Karen S.; Bryce, Martin R.","2,5-Di(aryleneethynyl)pyrazine derivatives: synthesis, structural and optoelectronic properties, and light-emitting device","New Journal of Chemistry","2004","28","8","912","918","10.1039/B401867M","","","0.71073","MoKα","","0.0514","0.0383","","","0.1049","0.1145","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7050323","17.329","0.004","7.318","0.003","6.679","0.002","90","","109.1","0.02","90","","800.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","bis(mu-dicyanoamide)-bis(pyridine-N-oxide)-cobalt(ii)","bis(mu-dicyanoamide)-bis(pyridine-N-oxide)-cobalt(II)","","- C14 H10 Co N8 O2 -","- C14 H10 Co N8 O2 -","- C28 H20 Co2 N16 O4 -","2","0.25","","Nirmalendu Ray Chaudhuri; Debajyoti Ghoshal; Tian-Huey Lu; Tapas Kumar Maji; Golam Mostafa; Joan Ribas; E.Zangrando","Synthesis, crystal structure and magnetic behavior of three polynuclear complexes, [Co(pyo)2(dca)2]n, [Co3(ac)4(bpe)3(dca)2]n and [{Co(male)(H2O)2}(H2O)]n (pyo, pyridine-N-oxide; dca, dicyanamide; ac, acetate; bpe, 1,2-bis-(4-pyridyl)ethane and male, maleate)","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","Mokα","","0.0363","0.0357","","","0.0965","0.0971","","","","","","1.071","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050324","13.6306","0.0012","22.1417","0.0019","17.3317","0.0015","90","","106.304","0.002","90","","5020.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Co3 N12 O8 -","- C48 H48 Co3 N12 O8 -","- C192 H192 Co12 N48 O32 -","4","1","","Nirmalendu Ray Chaudhuri; Debajyoti Ghoshal; Tian-Huey Lu; Tapas Kumar Maji; Golam Mostafa; Joan Ribas; E.Zangrando","Synthesis, crystal structure and magnetic behavior of three polynuclear complexes, [Co(pyo)2(dca)2]n, [Co3(ac)4(bpe)3(dca)2]n and [{Co(male)(H2O)2}(H2O)]n (pyo, pyridine-N-oxide; dca, dicyanamide; ac, acetate; bpe, 1,2-bis-(4-pyridyl)ethane and male, maleate)","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.2355","0.0576","","","0.0603","0.0828","","","","","","0.826","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050325","30.445","0.006","14.098","0.003","29.3","0.006","90","","116.28","0.03","90","","11276","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H112 Cl2 Mn12 O56 -","- C81 H112 Cl2 Mn12 O56 -","- C324 H448 Cl8 Mn48 O224 -","4","0.5","","Joulia Larionova; Rodolphe Clerac; Bruno Donnadieu; Christian Guerin; Bernard Henner; Lollita Lecren; A.Meyer; Alexander V. Pokrovskii; Stephanie Willemin","Synthesis and Characterisation of Magnetic Organic Inorganic Nanocomposites Based on [Mn12O12(CH2C(CH3)COO)16(H2O)4] Building Block.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0456","0.0402","","","0.0903","0.0931","","","","","","1.082","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050326","6.9151","0.0001","17.3434","0.0003","17.8375","0.0003","116.613","0.005","94.225","0.005","90.319","0.005","1905.64","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H28 Cl2 Hg N2 O6 -","- C37 H24 Cl2 Hg N2 O6 -","- C74 H48 Cl4 Hg2 N4 O12 -","2","1","","Mir Wais Hosseini; Marc Henry","Molecular tectonics: geometry and energy based analysis of coordination networks","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","Mo-Kα","","0.059","0.043","","0.117","","0.067","","","1.221","","","1.176","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7050327","13.306","0.003","10.422","0.002","11.153","0.002","90","","90","","90","","1546.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","bis((-)-sparteine)dichlorodicopper(I)","bis((-)-sparteine)dichlorodicopper(I)","","- C30 H52 Cl2 Cu2 N4 -","- C30 H52 Cl2 Cu2 N4 -","- C60 H104 Cl4 Cu4 N8 -","2","0.5","","A.Johansson; M.Vestergren; M.Hakansson; B.Gustafsson; S.Jagner","Unexpected structural similarity between the chlorocopper(I) unit and the methyllithium and phenyllithium units. First complexes between (-)-sparteine and copper(I) chloride: synthesis and structural characterisation.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0333","0.0299","","","0.0733","0.0747","","","","","","1.009","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7050328","8.3278","0.0018","16.118","0.003","12.848","0.003","90","","100.39","0.008","90","","1696.3","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis((-)-sparteine)tetrachlorotetracopper(I)","bis((-)-sparteine)tetrachlorotetracopper(I)","","- C30 H52 Cl4 Cu4 N4 -","- C30 H52 Cl4 Cu4 N4 -","- C60 H104 Cl8 Cu8 N8 -","2","1","","A.Johansson; M.Vestergren; M.Hakansson; B.Gustafsson; S.Jagner","Unexpected structural similarity between the chlorocopper(I) unit and the methyllithium and phenyllithium units. First complexes between (-)-sparteine and copper(I) chloride: synthesis and structural characterisation.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0592","0.0527","","","0.142","0.1457","","","","","","1.058","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050329","10.497","0.003","10.87","0.003","11.355","0.003","70.836","0.004","87.853","0.004","65.793","0.004","1109.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H35 Eu2 N7 O14 -","- C48 H35 Eu2 N7 O14 -","- C48 H35 Eu2 N7 O14 -","1","0.5","","Liu Chong-Bo; Lin-Pei Jin; Shaozhe Lu; Chang-Yan Sun","Supramolecular Architecture of New Lanthanide Coordination Polymers of 2-Aminoterephthalic Acid and 1,10-Phenanthroline","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.045","0.033","","","0.0673","0.0714","","","","","","1.006","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050330","10.6876","0.0009","11.0638","0.0008","11.4747","0.0009","69.08","0.006","87.883","0.006","65.576","0.006","1144.15","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17.5 La N3.5 O7 -","- C24 H17.5 La N3.5 O7 -","- C48 H35 La2 N7 O14 -","2","1","","Liu Chong-Bo; Lin-Pei Jin; Shaozhe Lu; Chang-Yan Sun","Supramolecular Architecture of New Lanthanide Coordination Polymers of 2-Aminoterephthalic Acid and 1,10-Phenanthroline","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0471","0.0336","","","0.0656","0.0701","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050331","10.4948","0.0016","11.0961","0.001","19.497","0.002","73.554","0.007","85.545","0.008","84.474","0.008","2164.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H33 Er2 N7 O13 -","- C48 H33 Er2 N7 O13 -","- C96 H66 Er4 N14 O26 -","2","1","","Liu Chong-Bo; Lin-Pei Jin; Shaozhe Lu; Chang-Yan Sun","Supramolecular Architecture of New Lanthanide Coordination Polymers of 2-Aminoterephthalic Acid and 1,10-Phenanthroline","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0877","0.0461","","","0.0718","0.0836","","","","","","0.971","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050332","10.518","0.003","11.091","0.004","19.544","0.006","73.846","0.004","85.663","0.005","84.416","0.005","2176.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H33 N7 O13 Tb2 -","- C48 H33 N7 O13 Tb2 -","- C96 H66 N14 O26 Tb4 -","2","1","","Liu Chong-Bo; Lin-Pei Jin; Shaozhe Lu; Chang-Yan Sun","Supramolecular Architecture of New Lanthanide Coordination Polymers of 2-Aminoterephthalic Acid and 1,10-Phenanthroline","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0626","0.0347","","","0.0558","0.0625","","","","","","1.057","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050333","12.998","0.003","15.816","0.003","21.168","0.005","90","","106.996","0.01","90","","4161.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H66 N13 O25.5 Yb4 -","- C88 H48 N13 O25.5 Yb4 -","- C176 H96 N26 O51 Yb8 -","2","0.5","","Liu Chong-Bo; Lin-Pei Jin; Shaozhe Lu; Chang-Yan Sun","Supramolecular Architecture of New Lanthanide Coordination Polymers of 2-Aminoterephthalic Acid and 1,10-Phenanthroline","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.091","0.0431","","","0.0767","0.0901","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050334","10.514","0.003","12.374","0.004","12.384","0.004","109.481","0.005","100.36","0.005","91.607","0.005","1487.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 Au2 Mn N8 O2 -","- C29 H22 Au2 Mn N8 O2 -","- C58 H44 Au4 Mn2 N16 O4 -","2","1","","Dai-Zheng Liao; Peng Cheng; Wen Dong; Zong-Hui Jiang; Zhan-Quan Liu; Hai-Bin Song; Ya-Qiu Sun; Qing-Mei Wang; Shi-Ping Yan; Bin Yu; Hui-Bo Zhou","Synthesis, crystal structures and luminescent properties of two supramolecular assemblies containing [Au(CN)2]- building block","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0709","0.0389","","","0.0848","0.0988","","","","","","1.023","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7050335","19.875","0.015","6.493","0.005","10.459","0.008","90","","100.438","0.011","90","","1327.4","1.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H15 Au N6 O -","- C8 H15 Au N6 O -","- C32 H60 Au4 N24 O4 -","4","0.5","","Dai-Zheng Liao; Peng Cheng; Wen Dong; Zong-Hui Jiang; Zhan-Quan Liu; Hai-Bin Song; Ya-Qiu Sun; Qing-Mei Wang; Shi-Ping Yan; Bin Yu; Hui-Bo Zhou","Synthesis, crystal structures and luminescent properties of two supramolecular assemblies containing [Au(CN)2]- building block","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0861","0.0617","","","0.1488","0.167","","","","","","1.022","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050336","13.731","0.003","4.9553","0.001","18.029","0.004","90","","90","","90","","1226.7","0.4","200","","200","","","","","","","","","3","P n a 21","P 2c -2n","33","beta-Guanidinium dicyanamide","beta-Guanidinium dicyanamide","","- C3 H6 N6 -","- C3 H6 N6 -","- C24 H48 N48 -","8","2","","Wolfgang Schnick; Bettina V. Lotsch","Towards novel C-N materials: Crystal structures of two polymorphs of guanidinium dicyanamide and their thermal conversion into melamine.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0687","0.0423","","","0.0967","0.11","","","","","","1.043","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050337","19.249","0.004","4.9599","0.001","13.724","0.003","90","","110.46","0.03","90","","1227.5","0.4","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","alpha-Guanidinium dicyanamide","alpha-Guanidinium dicyanamide","","- C3 H6 N6 -","- C3 H6 N6 -","- C24 H48 N48 -","8","2","","Wolfgang Schnick; Bettina V. Lotsch","Towards novel C-N materials: Crystal structures of two polymorphs of guanidinium dicyanamide and their thermal conversion into melamine.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.086","0.0474","","","0.1118","0.129","","","","","","1.038","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050338","11.5758","0.0007","12.2739","0.0005","17.2195","0.001","95.111","0.004","94.37","0.002","90.744","0.004","2429.3","0.2","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[Ti3(OiPr)11][FeCl4]","","","- C33 H77 Cl4 Fe O11 Ti3 -","- C33 H77 Cl4 Fe O11 Ti3 -","- C66 H154 Cl8 Fe2 O22 Ti6 -","2","1","","Jaisa Fernandes Soares; David J. Evans; Geraldo R. Friedermann; Peter B. Hitchcock; G. Jeffery Leigh; Giovana G. Nunes; Dayane M. Reis; Eduardo L. Sa","Iron(III) and Titanium(IV) Oxoalkoxide Chemistry: Synthetic, Structural, Magnetochemical and Spectroscopic Studies of [Ti3(m3-OPri)2(m-OPri)3(OPri)6][FeCl4] and [Fe5(m5-O)(m-OPri)8Cl5]","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","x-ray","0.71073","MoKα","","0.0762","0.0558","","","0.1247","0.1367","","","","","","1.03","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050339","12.0547","0.0003","9.9251","0.0002","16.7734","0.0005","90","","91.861","0.001","90","","2005.78","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 2/n 1","-P 2yac","13","[Fe5Cl5(O){OiPr}8]","","","- C24 H56 Cl5 Fe5 O9 -","- C24 H56 Cl5 Fe5 O9 -","- C48 H112 Cl10 Fe10 O18 -","2","0.5","","Jaisa Fernandes Soares; David J. Evans; Geraldo R. Friedermann; Peter B. Hitchcock; G. Jeffery Leigh; Giovana G. Nunes; Dayane M. Reis; Eduardo L. Sa","Iron(III) and Titanium(IV) Oxoalkoxide Chemistry: Synthetic, Structural, Magnetochemical and Spectroscopic Studies of [Ti3(m3-OPri)2(m-OPri)3(OPri)6][FeCl4] and [Fe5(m5-O)(m-OPri)8Cl5]","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","x-ray","0.71073","MoKα","","0.0902","0.0557","","","0.1221","0.1388","","","","","","1.091","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050340","15.4622","0.0003","15.4621","0.0003","19.2214","0.0004","90","","90","","90","","4595.42","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 4/n :1","P 4ab -1ab","85","","","","- C31 H64 Cl5 Fe5 O9 -","- C31 H64 Cl5 Fe5 O9 -","- C124 H256 Cl20 Fe20 O36 -","4","0.5","","Jaisa Fernandes Soares; David J. Evans; Geraldo R. Friedermann; Peter B. Hitchcock; G. Jeffery Leigh; Giovana G. Nunes; Dayane M. Reis; Eduardo L. Sa","Iron(III) and Titanium(IV) Oxoalkoxide Chemistry: Synthetic, Structural, Magnetochemical and Spectroscopic Studies of [Ti3(m3-OPri)2(m-OPri)3(OPri)6][FeCl4] and [Fe5(m5-O)(m-OPri)8Cl5]","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","x-ray","0.71073","MoKα","","0.0937","0.066","","","0.15","0.1702","","","","","","1.168","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050341","38.387","0.017","18.997","0.008","26.326","0.011","90","","128.062","0.005","90","","15116","11","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H43 Cl7 Gd N12 O -","- C77 H41 Cl7 Gd N12 O -","- C616 H328 Cl56 Gd8 N96 O8 -","8","1","","Dennis K.P.Ng; Ming Bai; Chi-Fung Choi; Takamitsu Fukuda; Jianzhuang Jiang; Nagao Kobayashi; R.Li; Dongbo Liang; Fanli Lu; Changqin Ma; Xuan Sun; Peihua Zhu","Synthesis, Spectroscopic Properties, and Electrochemistry of Heteroleptic Rare Earth Double-Decker Complexes with Phthalocyaninato and meso-Tetrakis(4-chlorophenyl)porphyrinato Ligands","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1478","0.0802","","","0.234","0.296","","","","","","1.085","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050342","12.111","0.0002","15.9535","0.0003","19.4105","0.0004","91.725","0.001","93.531","0.001","110.335","0.001","3504.63","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","bis-cyclotriveratrylenepotassium penta-bromo-1-carbaborane 2,2,2-trifluorothenaol solvate","","","- C59 H71 B9 Br5 F6 K O14 -","- C59 H71 B9 Br5 F6 K O14 -","- C118 H142 B18 Br10 F12 K2 O28 -","2","1","","R.Ahmad","Propeller-shaped chain and 2D grid coordination polymers with the host molecule cyclotriveratrylene and (CB9H5Br5)-","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0827","0.0625","","","0.1547","0.1672","","","","","","1.028","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050343","15.958","0.0002","27.329","0.0004","19.386","0.0003","90","","90.226","0.001","90","","8454.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","acetonitrile cyclotriveratrylene penta-bromo-1-carbaborane rubidium(i)","","","- C60 H76 B18 Br10 N2 O12 Rb2 -","- C60 H76 B18 Br10 N2 O12 Rb2 -","- C240 H304 B72 Br40 N8 O48 Rb8 -","4","1","","R.Ahmad","Propeller-shaped chain and 2D grid coordination polymers with the host molecule cyclotriveratrylene and (CB9H5Br5)-","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.086","0.051","","","0.1182","0.1355","","","","","","1.02","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050344","10.90867","0.00064","6.80368","0.00033","20.2917","0.0011","90","","101.234","0.0032","90","","1477.18","0.14","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-p-tolyl-methyl-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C32 H44 O6 S -","- C32 H44 O6 S -","- C64 H88 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050345","11.29099","0.00077","6.80314","0.00038","19.5173","0.0012","90","","92.6367","0.0039","90","","1497.62","0.16","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-p-tolyl-methyl-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C32 H44 O6 S -","- C32 H44 O6 S -","- C64 H88 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050346","11.0918","0.0013","6.75768","0.00064","20.5605","0.0023","90","","102.46","0.0065","90","","1504.81","0.28","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-p-tolyl-methoxy-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C32 H44 O7 S -","- C32 H44 O7 S -","- C64 H88 O14 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050347","10.9476","0.0012","6.79373","0.00076","20.2718","0.0024","90","","101.389","0.0074","90","","1478.03","0.29","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-p-tolyl-bromo-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C31 H41 Br O6 S -","- C31 H41 Br O6 S -","- C62 H82 Br2 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050348","11.3389","0.0022","6.8185","0.0012","19.4289","0.0036","90","","93.532","0.019","90","","1499.28","0.48","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-p-tolyl-bromo-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C31 H41 Br O6 S -","- C31 H41 Br O6 S -","- C62 H82 Br2 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050349","10.9989","0.0011","6.763","0.00061","19.8905","0.0022","90","","92.525","0.011","90","","1478.13","0.26","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-tolyl-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid","","","- C31 H42 O6 S -","- C31 H42 O6 S -","- C62 H84 O12 S2 -","2","1","","Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi","Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050350","9.188","0.0008","11.936","0.0006","20.407","0.0015","89.07","0.0018","79.492","0.003","71.746","0.006","2087.7","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40.5 N12.5 O2 Zn -","- C49 H38 N12.5 O2 Zn -","- C98 H76 N25 O4 Zn2 -","2","1","","Israel Goldberg; Mikki Vinodu","Complexes of hexamethylenetetramine with zinc-tetraarylporphyrins, and their assembly modes in crystals as clathrates and hydrogen-bonding network polymers","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.09","0.0594","","","0.1398","0.1569","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050351","10.36","0.0004","11.498","0.0006","15.361","0.0008","76.002","0.002","89.056","0.003","82.936","0.003","1761.81","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 N12 O12 Zn -","- C60 H52 N12 O8 Zn -","- C60 H52 N12 O8 Zn -","1","0.5","","Israel Goldberg; Mikki Vinodu","Complexes of hexamethylenetetramine with zinc-tetraarylporphyrins, and their assembly modes in crystals as clathrates and hydrogen-bonding network polymers","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0729","0.0526","","","0.1411","0.1513","","","","","","0.997","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050352","18.789","0.0003","27.742","0.0005","12.473","0.0007","90","","90","","90","","6501.5","0.4","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C71 H64.5 N14.5 O9 Zn -","- C56 H52 N12 O4 Zn -","- C224 H208 N48 O16 Zn4 -","4","0.5","","Israel Goldberg; Mikki Vinodu","Complexes of hexamethylenetetramine with zinc-tetraarylporphyrins, and their assembly modes in crystals as clathrates and hydrogen-bonding network polymers","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0937","0.0549","","","0.1475","0.1588","","","","","","0.904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050353","14.411","0.002","12.2057","0.0017","11.357","0.0016","90","","96.061","0.002","90","","1986.5","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Fe O P S2 -","- C20 H23 Fe O P S2 -","- C80 H92 Fe4 O4 P4 S8 -","4","1","","Derek Woollins; Ian P. Gray; Alexandra M. Z. Slawin","Synthesis and Characterisation of disulfides and esters derived from their sodium organodithiophosphonate salts.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0267","0.0238","","","0.057","0.0588","","","","","","1.054","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050354","12.2407","0.0009","13.557","0.002","14.531","0.002","90","","90","","90","","2411.4","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N-methyl-salicylideneiminato-O,N)-diethyl-boron(III)","","- C12 H18 B N O -","- C12 H18 B N O -","- C96 H144 B8 N8 O8 -","8","1","","Lewinski, Janusz; Dranka, Maciej; Justyniak, Iwona","The self-assembly switching of the group 13 tetrahedral Schiff base complexes by changing the character of coordination centre","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.093","0.0552","","","0.1009","0.1123","","","","","","1.077","","","","has coordinates","208199","2020-10-21","18:00:00",""
"7050355","22.3787","0.0008","10.7423","0.0006","15.2876","0.0009","90","","123.09","0.002","90","","3079.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N-phenyl-salicylideneiminato-O,N)-diethyl-boron(III)","","- C17 H20 B N O -","- C17 H20 B N O -","- C136 H160 B8 N8 O8 -","8","1","","Lewinski, Janusz; Dranka, Maciej; Justyniak, Iwona","The self-assembly switching of the group 13 tetrahedral Schiff base complexes by changing the character of coordination centre","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1102","0.0481","","","0.107","0.1344","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050356","8.7294","0.0007","12.1861","0.001","15.3426","0.0012","72.435","0.001","79.668","0.001","89.855","0.002","1528.5","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 Cu N11 O S2 -","- C25 H27 Cu N11 O S2 -","- C50 H54 Cu2 N22 O2 S4 -","2","1","","Ray, Umasankar; Banerjee, Debasis; Mostafa, Golam; Lu, Tian-Huey; Sinha, Chittaranjan","Copper coordination compounds of chelating imidazole-azo-aryl ligand. The molecular structures of bis[1-ethyl-2-(p-tolylazo)imidazole]-bis-(azido)copper(ii) and bis[1-methyl-2-(phenylazo)imidazole]-bis(thiocyanato)copper(ii)","New Journal of Chemistry","2004","28","12","1437","","10.1039/b406445c","","","0.71073","MoK\α","","0.0839","0.0474","","","0.1369","0.1529","","","","","","0.892","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050357","11.8632","0.0008","17.6782","0.0013","26.703","0.002","90","","90","","90","","5600.2","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cu N14 -","- C24 H28 Cu N14 -","- C192 H224 Cu8 N112 -","8","1","","Ray, Umasankar; Banerjee, Debasis; Mostafa, Golam; Lu, Tian-Huey; Sinha, Chittaranjan","Copper coordination compounds of chelating imidazole-azo-aryl ligand. The molecular structures of bis[1-ethyl-2-(p-tolylazo)imidazole]-bis-(azido)copper(ii) and bis[1-methyl-2-(phenylazo)imidazole]-bis(thiocyanato)copper(ii)","New Journal of Chemistry","2004","28","12","1437","","10.1039/b406445c","","","0.71073","MoK\α","","0.1149","0.0546","","","0.1076","0.1249","","","","","","0.992","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050358","8.0657","0.0005","9.7732","0.0007","23.754","0.001","84.167","0.006","90.429","0.007","82.825","0.007","1847.81","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Complex of 1,3,5-benzene-tris(methylenephosphonic acid).","","- C21 H45 N9 O18 P6 -","- C21 H45 N9 O18 P6 -","- C42 H90 N18 O36 P12 -","2","1","","C.Fernandez; P.-A.Jaffres; V.Montouillout; J.Sopkova-de Oliveira Santos; D.Villemin","Assembly of benzene-1,3,5-tris(methylenephosphonic acid) and guanidinium salt : Single crystal-X-ray characterisation and 31P solid state NMR investigations.","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0422","0.0344","","","0.0988","0.1234","","","","","","1.098","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7050359","8.0243","0.0016","12.953","0.003","15.781","0.003","95.61","0.03","104.3","0.03","98.47","0.03","1556.7","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H36 Fe2 N O5 Zn -","- C35 H36 Fe2 N O5 Zn -","- C70 H72 Fe4 N2 O10 Zn2 -","2","1","","Hongwei Hou; Yaoting Fan; Gang Li; Zi-Feng Li; Xiangru Meng","Novel Zinc(II) Coordination Polymers Constructed From Ferrocenyl Carboxylate Ligands","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0589","0.0339","","","0.0611","0.0659","","","","","","0.914","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050360","16.836","0.003","19.452","0.004","7.4853","0.0015","90","","90","","90","","2451.5","0.9","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H26 Fe2 O4 Zn -","- C28 H26 Fe2 O4 Zn -","- C112 H104 Fe8 O16 Zn4 -","4","0.5","","Hongwei Hou; Yaoting Fan; Gang Li; Zi-Feng Li; Xiangru Meng","Novel Zinc(II) Coordination Polymers Constructed From Ferrocenyl Carboxylate Ligands","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0626","0.038","","","0.0728","0.0774","","","","","","0.967","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050361","32.676","0.005","3.964","0.001","7.502","0.001","90","","98.47","0.01","90","","961.1","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","2-methoxy-4,6-dimethyl-5-formaylbenzaldehyde","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","J. Narasimha Moorthy; R.Natarajan; Prasenjit Mal; P.Venugopalan","First example of a helical nanotube sustained by weak C-H∙∙∙O/N hydrogen bonds: Remarkable self-assembly of an o-anisaldehyde","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.052","0.0447","","","0.1188","0.126","","","","","","1.008","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050362","7.574","0.001","8.315","0.001","12.782","0.002","84.56","0.01","79.32","0.01","63.27","0.01","706.44","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-benzyloxy-4,6-dimethyl-5-cyanobenzaldehyde","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","J. Narasimha Moorthy; R.Natarajan; Prasenjit Mal; P.Venugopalan","First example of a helical nanotube sustained by weak C-H∙∙∙O/N hydrogen bonds: Remarkable self-assembly of an o-anisaldehyde","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0628","0.0461","","","0.1261","0.136","","","","","","1.05","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050363","12.3728","0.0013","24.512","0.003","3.9548","0.0004","90","","90","","90","","1199.4","0.2","100","2","100","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","2-methoxy-4,6-dimethyl-5-cyanobenzaldehyde -pentane solvate","","- C16 H23 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","J. Narasimha Moorthy; R.Natarajan; Prasenjit Mal; P.Venugopalan","First example of a helical nanotube sustained by weak C-H∙∙∙O/N hydrogen bonds: Remarkable self-assembly of an o-anisaldehyde","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0707","0.0688","","","0.1774","0.1795","","","","","","1.012","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7050364","7.8375","0.0014","10.1625","0.0018","12.272","0.002","82.819","0.003","83.055","0.003","82.805","0.003","956.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-methoxy-4,6-dimethyl-5-cyanobenzaldehyde","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","2","","J. Narasimha Moorthy; R.Natarajan; Prasenjit Mal; P.Venugopalan","First example of a helical nanotube sustained by weak C-H∙∙∙O/N hydrogen bonds: Remarkable self-assembly of an o-anisaldehyde","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0607","0.0477","","","0.1181","0.1271","","","","","","1.012","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050365","19.0609","0.0015","10.4108","0.0008","28.69","0.002","90","","91.537","0.002","90","","5691.2","0.7","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4'-Methoxyphenyloxocarbonium hexafluoroantimonate","4'-Methoxyphenyloxocarbonium hexafluoroantimonate","","- C8 H7 F6 O2 Sb -","- C8 H7 F6 O2 Sb -","- C160 H140 F120 O40 Sb20 -","20","2.5","","Jay Kochi; Milya G. Davlieva; Sergey V. Lindeman","Structural Effects of Carbon-Monoxide Coordination to Carbon Centers. p and s Bindings in Aliphatic Acyl versus Aromatic Aroyl Cations","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0773","0.0661","","","0.1626","0.1693","","","","","","1.035","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050366","12.5856","0.0015","12.3958","0.0015","13.0791","0.0015","90","","92.252","0.002","90","","2038.9","0.4","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","4'-Fluorophenyloxocarbonium hexafluoroantimonate","4'-Fluorophenyloxocarbonium hexafluoroantimonate","","- C7 H4 F7 O Sb -","- C7 H4 F7 O Sb -","- C56 H32 F56 O8 Sb8 -","8","2","","Jay Kochi; Milya G. Davlieva; Sergey V. Lindeman","Structural Effects of Carbon-Monoxide Coordination to Carbon Centers. p and s Bindings in Aliphatic Acyl versus Aromatic Aroyl Cations","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0813","0.0437","","","0.0914","0.1056","","","","","","1.005","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050367","7.6218","0.0006","12.7753","0.0009","18.2425","0.0014","90","","90.641","0.001","90","","1776.2","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pentamethylphenyloxocarbonium hexafluoroantimonate, dichloromethane monosolvate","Pentamethylphenyloxocarbonium hexafluoroantimonate, dichloromethane monosolvate","","- C13 H17 Cl2 F6 O Sb -","- C13 H17 Cl2 F6 O Sb -","- C52 H68 Cl8 F24 O4 Sb4 -","4","1","","Jay Kochi; Milya G. Davlieva; Sergey V. Lindeman","Structural Effects of Carbon-Monoxide Coordination to Carbon Centers. p and s Bindings in Aliphatic Acyl versus Aromatic Aroyl Cations","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0328","0.0295","","","0.0723","0.0739","","","","","","1.093","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050368","9.2849","0.0005","25.0381","0.0012","14.9209","0.0007","90","","104.665","0.001","90","","3355.8","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2',4',6'-Trimethylphenyloxocarbonium hexachloroantimonate","2',4',6'-Trimethylphenyloxocarbonium hexachloroantimonate","","- C10 H11 Cl6 O Sb -","- C10 H11 Cl6 O Sb -","- C80 H88 Cl48 O8 Sb8 -","8","2","","Jay Kochi; Milya G. Davlieva; Sergey V. Lindeman","Structural Effects of Carbon-Monoxide Coordination to Carbon Centers. p and s Bindings in Aliphatic Acyl versus Aromatic Aroyl Cations","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0343","0.0276","","","0.063","0.0661","","","","","","1.041","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050369","11.7482","0.0007","10.2038","0.0006","12.4473","0.0008","90","","93.428","0.001","90","","1489.47","0.16","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","4'-Methylphenyloxocarbonium hexachloroantimonate","4'-Methylphenyloxocarbonium hexachloroantimonate","","- C8 H7 Cl6 O Sb -","- C8 H7 Cl6 O Sb -","- C32 H28 Cl24 O4 Sb4 -","4","1","","Jay Kochi; Milya G. Davlieva; Sergey V. Lindeman","Structural Effects of Carbon-Monoxide Coordination to Carbon Centers. p and s Bindings in Aliphatic Acyl versus Aromatic Aroyl Cations","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0223","0.0202","","","0.0496","0.0508","","","","","","1.011","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050370","9.63","0.002","21.727","0.004","17.275","0.003","90","","96.69","0.001","90","","3589.9","1.2","120","","120","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N3 O21 P4 Sm -","- C18 H44 N3 O21 P4 Sm -","- C72 H176 N12 O84 P16 Sm4 -","4","0.5","","Lees, Anthony M. J.; Kresinski, Roman A.; Platt, Andrew W. G.","Complexes of (EtO)2P(O)CH2P(O)(OEt)2 with lanthanide nitrates","New Journal of Chemistry","2004","28","12","1457","","10.1039/b408536a","","x-ray","0.71073","MoKα","","0.0448","0.0429","","","0.1153","0.1159","","","","","","1.352","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050371","8.8205","0.0011","20.0885","0.0006","20.63","0.0014","90","","91.716","0.016","90","","3653.8","0.5","0","","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H44 La N3 O21 P4 -","- C18 H44 La N3 O21 P4 -","- C72 H176 La4 N12 O84 P16 -","4","1","","Lees, Anthony M. J.; Kresinski, Roman A.; Platt, Andrew W. G.","Complexes of (EtO)2P(O)CH2P(O)(OEt)2 with lanthanide nitrates","New Journal of Chemistry","2004","28","12","1457","","10.1039/b408536a","","x-ray","0.71069","MoKα","","0.0464","0.0365","","","0.0833","0.0853","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050372","18.0389","0.0009","13.1731","0.0006","19.2678","0.0009","90","","100.525","0.001","90","","4501.5","0.4","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N4 O8 -","- C48 H52 N4 O8 -","- C192 H208 N16 O32 -","4","1","","O.G.Barton; M.Schmidtmann; A.Muller; J.Mattay","Diaminotriazine substituted 1,3-alternate Calix[4]arenes","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0691","0.0491","","","0.1298","0.1469","","","","","","1.026","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050373","14.2874","0.0006","14.6477","0.0006","20.236","0.0008","84.746","0.001","81.894","0.001","72.131","0.001","3985.1","0.3","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H104 N20 O16 -","- C75.5 H104 N20 O16 -","- C151 H208 N40 O32 -","2","1","","O.G.Barton; M.Schmidtmann; A.Muller; J.Mattay","Diaminotriazine substituted 1,3-alternate Calix[4]arenes","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0937","0.0681","","","0.1774","0.1996","","","","","","1.031","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050374","24.3057","0.0009","17.3007","0.0006","22.946","0.0009","90","","115.739","0.001","90","","8691.6","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 N2 O8 -","- C46 H54 N2 O8 -","- C368 H432 N16 O64 -","8","2","","O.G.Barton; M.Schmidtmann; A.Muller; J.Mattay","Diaminotriazine substituted 1,3-alternate Calix[4]arenes","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0767","0.046","","","0.1069","0.1244","","","","","","1.045","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050375","19.7097","0.0007","20.11","0.0007","25.8943","0.0009","90","","111.219","0.001","90","","9567.7","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 I4 O8 -","- C44 H52 I4 O8 -","- C352 H416 I32 O64 -","8","2","","O.G.Barton; M.Schmidtmann; A.Muller; J.Mattay","Diaminotriazine substituted 1,3-alternate Calix[4]arenes","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0344","0.0223","","","0.0529","0.0582","","","","","","0.961","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050376","14.3264","0.0006","16.9472","0.0007","20.0115","0.0009","90","","90","","90","","4858.6","0.4","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H62 N10 O8 -","- C50 H62 N10 O8 -","- C200 H248 N40 O32 -","4","1","","O.G.Barton; M.Schmidtmann; A.Muller; J.Mattay","Diaminotriazine substituted 1,3-alternate Calix[4]arenes","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0495","0.0409","","","0.103","0.1083","","","","","","1.057","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050377","16.142","0.0003","18.9857","0.0004","11.1379","0.0002","90","","90","","90","","3413.4","0.11","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C168 H176 N16 -","8","2","","Suresh Das; Shibu Abraham; Riju Davis; Nigam P. Rath","Observation of a Non-Conventional Horner-Wadsworth-Emmons Olefination Product and the Effect of the Lateral Ethyl Substitution on its Solid State Fluorescence","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1577","0.0609","","","0.1277","0.1658","","","","","","0.971","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050378","20.5271","0.0004","8.3909","0.0001","16.6116","0.0002","90","","90","","90","","2861.2","0.07","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,4,7,10,13,16-hexaazoniacyclooctadecane-tetra(hydrogensulfate)-sulfate- monohydrate","","- C12 H42 N6 O21 S5 -","- C12 H42 N6 O21 S5 -","- C48 H168 N24 O84 S20 -","4","1","","Leone Spiccia; Milton T. W. Hearn; Andrew C. Warden; Mark Warren","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Interactions of Sulfate and Dithionate with Protonated Forms of [18]aneN6","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.074","0.0448","","","0.086","0.0951","","","","","","0.98","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050379","7.9597","0.0002","11.2322","0.0003","12.5897","0.0004","90","","100.673","0.001","90","","1106.11","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4,7,10,13,16-hexaazoniacyclooctadecane-tris(sulfate)","","- C12 H36 N6 O12 S3 -","- C12 H36 N6 O12 S3 -","- C24 H72 N12 O24 S6 -","2","0.5","","Leone Spiccia; Milton T. W. Hearn; Andrew C. Warden; Mark Warren","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Interactions of Sulfate and Dithionate with Protonated Forms of [18]aneN6","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0712","0.0428","","","0.0972","0.108","","","","","","1.032","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050380","6.4044","0.0002","20.6316","0.0005","10.197","0.0004","90","","94.455","0.001","90","","1343.29","0.07","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4,7,10,13,16-hexaazoniacyclooctadecane-tetrachloride-disulfate-dihydrate","","- C12 H42 Cl4 N6 O10 S2 -","- C12 H42 Cl4 N6 O10 S2 -","- C24 H84 Cl8 N12 O20 S4 -","2","0.5","","Leone Spiccia; Milton T. W. Hearn; Andrew C. Warden; Mark Warren","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Interactions of Sulfate and Dithionate with Protonated Forms of [18]aneN6","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0656","0.0412","","","0.0844","0.0924","","","","","","1.043","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050381","13.1554","0.0003","11.4761","0.0004","8.7203","0.0003","90","","97.56","0.03","90","","1305.07","0.07","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","1,4,7,10,13,16-hexaazacyclooctdecane-1,4,13,16-azonia-bisdithionate-dihydrate","","- C12 H38 N6 O14 S4 -","- C12 H34 N6 O13 S4 -","- C24 H68 N12 O26 S8 -","2","0.25","","Leone Spiccia; Milton T. W. Hearn; Andrew C. Warden; Mark Warren","Binding of Inorganic Oxoanions to Macrocyclic Ligands: Interactions of Sulfate and Dithionate with Protonated Forms of [18]aneN6","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.075","0.0509","","","0.1389","0.1526","","","","","","1.086","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050382","5.3858","0.0003","13.3905","0.0009","13.4835","0.0006","90","","96.434","0.009","90","","966.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 N O2 S -","- C7 H15 N O2 S -","- C28 H60 N4 O8 S4 -","4","1","","Lech Kozerski; Brunon Kwiecień; Robert Kawęcki; Zofia Urbańczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Jan Maurin; Leszek Pazderski; Poul E. Hansen","Hydrogen bonds in “push-pull” enamines","New J. Chem.","2004","28","12","1562","1567","10.1039/b409254f","","","1.54178","CuKα","","0.0643","0.0634","","","0.1447","0.1474","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050383","5.764","0.005","16.888","0.012","6.447","0.004","90","","115.2","0.07","90","","567.8","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H17 N O2 S -","- C9 H17 N O2 S -","- C18 H34 N2 O4 S2 -","2","1","","Lech Kozerski; Brunon Kwiecień; Robert Kawęcki; Zofia Urbańczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Jan Maurin; Leszek Pazderski; Poul E. Hansen","Hydrogen bonds in “push-pull” enamines","New J. Chem.","2004","28","12","1562","1567","10.1039/b409254f","","","0.71073","MoKα","","0.1155","0.0531","","","0.1334","0.1522","","","","","","0.965","","","","has coordinates,has disorder","180057","2020-10-21","18:00:00",""
"7050384","20.7206","0.0006","20.5047","0.0005","11.9981","0.0003","90","","93.101","0.001","90","","5090.2","0.2","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","[CL3Ti{(CyN)2CC6H4C(NCySiMe3)(NHCy)}]{Ti2Cl9]","","","- C35 H58 Cl12 N4 Si Ti3 -","- C35 H58 Cl12 N4 Si Ti3 -","- C140 H232 Cl48 N16 Si4 Ti12 -","4","1","","Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B.","Ambiphilic ligands from the 1,4-benzenebis(amidine) framework","New Journal of Chemistry","2004","28","10","1195","1197","10.1039/b409256b","","x-ray","0.71073","MoKα","","0.0866","0.0508","","","0.0888","0.0996","","","","","","1.029","","","","has coordinates","218968","2020-10-21","18:00:00",""
"7050385","7.2878","0.0005","14.4364","0.0008","17.4246","0.001","72.557","0.005","85.278","0.005","82.046","0.005","1730.49","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[8-(3'-(3,5-dibenzyloxy-benzyloxy)-2'-hydroxyphenyl)- (5,6)-benzo-4,7-diazaocta-2,7-dien-1-onato(2-)]nickel(II)","","- C44 H36 N2 Ni O5 -","- C44 H36 N2 Ni O5 -","- C88 H72 N4 Ni2 O10 -","2","1","","Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes","New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures","New J. Chem.","2004","28","12","1615","1621","10.1039/b409298h","","x-ray","0.71073","MoKα","","0.0817","0.0334","","","0.0524","0.0612","","","","","","0.675","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050386","23.2759","0.0003","8.4381","0.0001","25.9355","0.0003","90","","96.476","0.001","90","","5061.34","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[8-(3'-Ac-(D,L)-alanyloxy)-2'-hydroxyphenyl)-(5,6)-benzo -4,7-diazaocta-2,7-dien-1-onato(2-)]nickel(II)","","- C28 H25 N3 Ni O5 -","- C28 H25 N3 Ni O5 -","- C224 H200 N24 Ni8 O40 -","8","1","","Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes","New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures","New J. Chem.","2004","28","12","1615","1621","10.1039/b409298h","","","1.54178","CuKα","","0.0368","0.0342","","","0.0992","0.1016","","","","","","1.05","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050387","21.8152","0.0003","7.5781","0.0001","22.956","0.0004","90","","114.209","0.0007","90","","3461.28","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[8-(3'-Boc-(L)-phenylalanyloxy-2'-hydroxyphenyl)-(5,6) -benzo-3-methyl-1-phenyl-4,7-diazaocta-2,7-dien-1 -onato(2-)]nickel(II) dihydrate","","- C37 H39 N3 Ni O8 -","- C37 H39 N3 Ni O8 -","- C148 H156 N12 Ni4 O32 -","4","2","","Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes","New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures","New J. Chem.","2004","28","12","1615","1621","10.1039/b409298h","","","1.54178","CuKα","","0.0606","0.0437","","","0.1121","0.1205","","","","","","1.03","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050388","7.8681","0.001","10.356","0.002","13.39","0.002","85.431","0.013","78.603","0.011","72.667","0.014","1020.7","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Cu3 N O12 -","- C21 H14 Cu3 N O12 -","- C42 H28 Cu6 N2 O24 -","2","1","","Yan-Zhen Zheng; Ming-Liang Tong; Xiao-Ming Chen","Controlled hydrothermal synthesis of copper(II or I,II) coordination polymers via pH-dependent in-situ metal/ligand redox reactions","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0468","0.0392","","","0.0916","0.1046","","","","","","1.151","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050389","10.7251","0.0012","10.8401","0.0013","14.7967","0.0017","91.429","0.002","94.101","0.002","118.737","0.002","1501.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 Cu2 N3 O8 -","- C20.6667 H14 Cu1.33333 N2 O5.33333 -","- C62 H42 Cu4 N6 O16 -","3","1.5","","Yan-Zhen Zheng; Ming-Liang Tong; Xiao-Ming Chen","Controlled hydrothermal synthesis of copper(II or I,II) coordination polymers via pH-dependent in-situ metal/ligand redox reactions","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.1484","0.0858","","","0.2103","0.2386","","","","","","1.055","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050390","11.3502","0.0008","16.1501","0.0011","11.3658","0.0008","90","","101.935","0.001","90","","2038.4","0.2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Cu2 N3 O11 -","- C19 H15 Cu2 N3 O11 -","- C76 H60 Cu8 N12 O44 -","4","0.5","","Yan-Zhen Zheng; Ming-Liang Tong; Xiao-Ming Chen","Controlled hydrothermal synthesis of copper(II or I,II) coordination polymers via pH-dependent in-situ metal/ligand redox reactions","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.032","0.0289","","","0.0812","0.0832","","","","","","1.064","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050391","18.022","0.004","15.912","0.003","18.556","0.004","90","","90","","90","","5321.2","1.8","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H33 N2 O16 Tb -","- C19 H33 N2 O16 Tb -","- C152 H264 N16 O128 Tb8 -","8","1","","Yan-Zhen Zheng; Ming-Liang Tong; Xiao-Ming Chen","Controlled hydrothermal synthesis of copper(II or I,II) coordination polymers via pH-dependent in-situ metal/ligand redox reactions","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0672","0.0357","","","0.0642","0.0734","","","","","","1.029","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050392","8.3873","0.0006","8.3873","0.0006","10.5853","0.0012","90","","90","","90","","744.64","0.11","150","2","150","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","caesium penta-bromo-monocarbadecaborane","","","- C H5 B9 Br5 Cs -","- C H5 B9 Br5 Cs -","- C2 H10 B18 Br10 Cs2 -","2","0.125","","Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie","Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6]","New J. Chem.","2004","28","12","1499","1505","10.1039/b410929e","","","0.6883","synchrotron","","0.0617","0.0613","","","0.1211","0.1222","","","","","","1.241","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050393","15.0967","0.0003","9.246","0.0002","12.5568","0.0003","90","","97.112","0.001","90","","1739.24","0.07","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","caesium hexa-bromo-monocarbadodecaborane","","","- C H6 B11 Br6 Cs -","- C H6 B11 Br6 Cs -","- C4 H24 B44 Br24 Cs4 -","4","1","","Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie","Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6]","New J. Chem.","2004","28","12","1499","1505","10.1039/b410929e","","","0.71073","MoKα","","0.0448","0.0376","","","0.0917","0.0958","","","","","","1.034","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050394","8.917","0.006","9.765","0.003","10.26","0.005","90.08","0.05","111.32","0.04","106.14","0.05","794.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Cl2 N6 O12 -","- C24 H36 Cl2 N6 O12 -","- C24 H36 Cl2 N6 O12 -","1","0.5","","G.Ambrosi; M.Formica; L.Giorgi; S.Lucarini; P.Paoli; P.Rossi","","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.2043","0.0927","","","0.2571","0.3469","","","","","","1.039","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050395","35.96","0.03","24.41","0.02","25.89","0.02","90","","126.99","0.05","90","","18152","3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C228 H218 O13 -","- C228 H218 O13 -","- C912 H872 O52 -","4","0.5","","Nicola Armaroli; Gianluca Accorsi; Yannick Rio; Paola Ceroni; Veronica Vicinelli; Richard Welter; Tao Gu; Mohamed Saddik; Michel Holler; Jean-François Nierengarten","Electronic properties of oligophenylenevinylene and oligophenyleneethynylene arrays constructed on the upper rim of a calix[4]arene core","New J. Chem.","2004","28","12","1627","1637","10.1039/b415063p","","","0.71069","MoKα","","0.1941","0.1119","","","0.2164","0.2534","","","","","","1.046","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7052502","9.0167","0.0006","10.6153","0.0008","14.1165","0.0012","80.777","0.003","72.91","0.005","89.329","0.004","1273.91","0.17","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Co2 O8 P4 -","- C56 H44 Co2 O8 P4 -","- C56 H44 Co2 O8 P4 -","1","0.5","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.1118","0.0535","","","0.0951","0.1162","","","","","","0.996","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052503","7.9541","0.0006","8.0955","0.0006","12.4315","0.0012","86.127","0.005","85.621","0.004","77.462","0.005","778.05","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 Co4 O14 -","- C28 H18 Co4 O14 -","- C28 H18 Co4 O14 -","1","0.5","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0638","0.0473","","","0.1192","0.1288","","","","","","1.128","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052504","13.084","0.0015","18.5298","0.0019","10.169","0.0013","90","","97.236","0.009","90","","2445.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl Fe N4 O8 -","- C22 H28 Cl Fe N4 O8 -","- C88 H112 Cl4 Fe4 N16 O32 -","4","0.5","","Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot","Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix","New J. Chem.","2004","28","4","535","541","10.1039/b311371j","","","0.71073","MoKα","","0.1013","0.0715","","","0.2035","0.2358","","","","","","0.909","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052508","7.472","0.0005","8.9926","0.0006","17.5962","0.0014","90","","90","","90","","1182.34","0.15","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0334","0.0294","","","0.0817","0.0861","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052509","7.4858","0.0004","9.0041","0.0005","17.6597","0.001","90","","90","","90","","1190.31","0.11","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0375","0.0325","","","0.0867","0.0912","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052510","7.4904","0.0006","9.0176","0.0007","17.7254","0.0016","90","","90","","90","","1197.27","0.17","350","2","350","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0413","0.0348","","","0.0955","0.1017","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052511","7.1111","0.0012","7.8561","0.0013","9.031","0.0016","75.614","0.003","68.57","0.004","76.107","0.004","448.63","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Co N O7 -","- C7 H5 Co N O7 -","- C14 H10 Co2 N2 O14 -","2","1","","Zhou, You-Fu; Yuan, Da-Qiang; Wu, Ben-Lai; Wang, Rui-Hu; Hong, Mao-Chun","Design of metal-organic NLO materials: complexes derived from pyridine-3,4-dicarboxylate","New Journal of Chemistry","2004","28","12","1590","","10.1039/b401802h","","","0.71073","MoKα","","0.118","0.0889","","","0.2229","0.2615","","","","","","1.022","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052512","14.5462","0.0002","8.8913","0.0002","12.2784","0.0003","90","","97.01","0.001","90","","1576.15","0.06","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","caesium hexa-chloro-monocarbadodecaborane","","","- C H6 B11 Cl6 Cs -","- C H6 B11 Cl6 Cs -","- C4 H24 B44 Cl24 Cs4 -","4","1","","Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie","Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6]","New J. Chem.","2004","28","12","1499","1505","10.1039/b410929e","","","0.71073","MoKα","","0.0413","0.0377","","","0.0983","0.1019","","","","","","1.086","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7053689","21.7465","0.001","21.7465","0.001","16.8412","0.0015","90","","90","","120","","6897.4","0.8","295","2","295","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H24 O3 -","- C30 H24 O3 -","- C360 H288 O36 -","12","0.666667","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Interpenetration of distinct 2D and 3D organic networks in the crystal structure of 1,3,5-tris(4-methylbenzoyl)benzene","New Journal of Chemistry","2004","28","10","1192","","10.1039/b408481k","","","0.71073","MoKα","","0.0945","0.0544","","","0.1394","0.1591","","","","","","1.038","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7102384","45.98","0.005","12.5458","0.0012","26.557","0.003","90","","110.935","0.002","90","","14308","3","106","2","106","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H75.42 Cl3.5 Cu6 N20 O34.18 -","- C50 H57.744 Cl3.5 Cu6 N20 O34.181 -","- C400 H461.952 Cl28 Cu48 N160 O273.448 -","8","1","","Strotmeyer, Kai P; Fritsky, Igor O; Pritzkow, Hans; Krämer, Roland","Self-assembly of a molecular figure-of-eight strip.","Chemical communications (Cambridge, England)","2004","","1","28","29","10.1039/b309215a","","","0.71073","MoKα","","0.1203","0.0577","","","0.1366","0.1646","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102385","21.0123","0.0004","21.0224","0.0003","38.6495","0.0006","90","","90","","90","","17072.6","0.5","100","","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C87 H103 O4.5 Ti2 -","- C86 H88 O4.5 Ti2 -","- C688 H704 O36 Ti16 -","8","","","Petrella, Antonella J; Roberts, Nicholas K; Craig, Donald C; Raston, Colin L; Lamb, Robert N","Selective 1,3-complexation of p-(t)Bu-calix[4]arene by [TiCp(2)Me(2)].","Chemical communications (Cambridge, England)","2004","","1","64","65","10.1039/b309455c","","","0.71073","MoKα","","","0.119","","","","0.159","","","","","","2.16","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7102386","10.669","0.006","13.041","0.008","12.062","0.009","90","","93.18","0.05","90","","1675.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3-Aza-2-ethyl-5-methoxycarbonyl-9,10,11- trimethoxybicyclo(5.4.0)undeca-1(7),2,5,8,10-pentaene","3-Aza-2-ethyl-5-methoxycarbonyl-9,10,11- trimethoxybicyclo[5.4.0]undeca-1(7),2,5,8,10- pentaene","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Basavaiah, Deevi; Satyanarayana, Tummanapalli","A novel, tandem construction of C-N and C-C bonds: facile and one-pot transformation of the Baylis-Hillman adducts into 2-benzazepines.","Chemical communications (Cambridge, England)","2004","","1","32","33","10.1039/b310550d","","","0.71073","MoKα","","0.1198","0.0569","","","0.1845","0.2709","","","","","","0.854","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102387","8.096","0.005","16.436","0.008","10.159","0.008","90","","98.73","0.05","90","","1336.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3-Aza-2-ethyl-5-methoxycarbonyl-9,10- methylenedioxybicyclo(5.4.0)undeca-1(7),2,5,8,10-pentaene","3-Aza-2-ethyl-5-methoxycarbonyl-9,10- methylenedioxybicyclo[5.4.0]undeca- 1(7),2,5,8,10-pentaene","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Basavaiah, Deevi; Satyanarayana, Tummanapalli","A novel, tandem construction of C-N and C-C bonds: facile and one-pot transformation of the Baylis-Hillman adducts into 2-benzazepines.","Chemical communications (Cambridge, England)","2004","","1","32","33","10.1039/b310550d","","","0.71073","MoKα","","0.0795","0.0441","","","0.1081","0.1254","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102388","9.596","0.006","11.179","0.005","37.834","0.007","82.17","0.02","84.53","0.02","65.4","0.013","3652.3","2.5","298","","298","","","","","","","","","6","P -1","-P 1","2","Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) gallium N-methylformanilide solvate","Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) gallium N-methylformanilide solvate","","- C54 H45 Ga N2 O13 S32 -","- C54 H45 Ga N2 O13 S32 -","- C108 H90 Ga2 N4 O26 S64 -","2","1","","Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J H; Yamada, Jun-ichi; Nakatsuji, Shin'ichi","Superstructures of donor packing arrangements in a series of molecular charge transfer salts.","Chemical communications (Cambridge, England)","2004","","1","18","19","10.1039/b310683g","","","0.7107","MoKα","","0.1183","0.0532","","0.0926","","0.0631","","","","","","1.0553","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102389","9.824","0.0011","11.196","0.002","37.882","0.01","81.469","0.005","87.657","0.003","64.362","0.002","3713.6","1.1","298","","298","","","","","","","","","6","P -1","-P 1","2","Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) galium phenylacetonitrile solvate","Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) galium phenylacetonitrile solvate","","- C54 H43 Ga N2 O12 S32 -","- C53.933 H43 Ga N2 O12 S32 -","- C107.866 H86 Ga2 N4 O24 S64 -","2","1","","Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J H; Yamada, Jun-ichi; Nakatsuji, Shin'ichi","Superstructures of donor packing arrangements in a series of molecular charge transfer salts.","Chemical communications (Cambridge, England)","2004","","1","18","19","10.1039/b310683g","","","0.7107","MoKα","","0.1377","0.0843","","0.1042","","0.0673","","","","","","1.1923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102390","10.132","0.002","11.261","0.001","36.651","0.004","82.957","0.006","86.413","0.003","63.477","0.0012","3713.3","0.8","298","","298","","","","","","","","","6","P -1","-P 1","2","Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) iron acetophenone solvate","Tetrakis(Bis(ethylenedithio)tetrathiafulvalenium) ammonium tris(oxalato) iron acetophenone solvate","","- C54 H44 Fe N O13 S32 -","- C54.04 H44.08 Fe N O13 S32 -","- C108.08 H88.16 Fe2 N2 O26 S64 -","2","1","","Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J H; Yamada, Jun-ichi; Nakatsuji, Shin'ichi","Superstructures of donor packing arrangements in a series of molecular charge transfer salts.","Chemical communications (Cambridge, England)","2004","","1","18","19","10.1039/b310683g","","","0.7107","MoKα","","0.2138","0.0882","","0.1529","","0.0746","","","","","","1.1524","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102391","10.587","0.003","25.273","0.006","39.355","0.007","90","","90","","90","","10530","4","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C48 H70 Cu2 N10 O10 -","- C48 H70 Cu2 N10 O10 -","- C384 H560 Cu16 N80 O80 -","8","1","","Saha, Manas K; Bernal, Ivan; Fronczek, Frank R","Novel ambient light induced trimerization of a simple copper(II) monomeric Schiff base complex.","Chemical communications (Cambridge, England)","2004","","1","84","85","10.1039/b310764g","","x-ray","0.71073","MoKα","","0.1688","0.0603","","","0.1369","0.1993","","","","","","1.034","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7102392","13.206","0.006","15.113","0.006","16.999","0.008","107.37","0.02","92.56","0.02","99.28","0.02","3180","2","100","","100","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C52 H86 Cl8 Cu2 N8 O9 -","- C52 H76 Cl8 Cu2 N8 O9 -","- C104 H152 Cl16 Cu4 N16 O18 -","2","1","","Saha, Manas K; Bernal, Ivan; Fronczek, Frank R","Novel ambient light induced trimerization of a simple copper(II) monomeric Schiff base complex.","Chemical communications (Cambridge, England)","2004","","1","84","85","10.1039/b310764g","","x-ray","0.71073","MoKα","","0.1411","0.0648","","","0.1477","0.1785","","","","","","0.993","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7102393","11.4672","0.0003","29.3393","0.0008","7.8434","0.0003","90","","120.21","0.005","90","","2280.4","0.1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 N9 O3 S2 -","- C18.5 H20.5 N8.5 O2.5 S2 -","- C74 H82 N34 O10 S8 -","4","0.5","","Odriozola, Ibon; Kyritsakas, Nathalie; Lehn, Jean-Marie","Structural codons: linearity/helicity interconversion by pyridine/pyrimidine exchange in molecular strands.","Chemical communications (Cambridge, England)","2004","","1","62","63","10.1039/b311045a","","","0.71073","Mo-Kα","","0.116","0.043","","0.108","","0.068","","","1.981","","","1.235","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102394","13.5362","0.0002","18.8739","0.0002","41.3548","0.0007","90","","90","","90","","10565.4","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H66 Cl2 N10 O6 S2 -","- C47 H66 Cl2 N10 O6 S2 -","- C376 H528 Cl16 N80 O48 S16 -","8","1","","Odriozola, Ibon; Kyritsakas, Nathalie; Lehn, Jean-Marie","Structural codons: linearity/helicity interconversion by pyridine/pyrimidine exchange in molecular strands.","Chemical communications (Cambridge, England)","2004","","1","62","63","10.1039/b311045a","","","0.71073","Mo-Kα","","0.201","0.086","","0.29","","0.103","","","1.499","","","1.057","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102395","25.0498","0.0001","20.9704","0.0003","11.7186","0.0003","90","","90","","90","","6155.8","0.2","173","","173","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26.375 H31 Cl0.75 N8 O6.125 -","- C26.375 H30 Cl0.75 N8 O6.125 -","- C211 H240 Cl6 N64 O49 -","8","2","","Odriozola, Ibon; Kyritsakas, Nathalie; Lehn, Jean-Marie","Structural codons: linearity/helicity interconversion by pyridine/pyrimidine exchange in molecular strands.","Chemical communications (Cambridge, England)","2004","","1","62","63","10.1039/b311045a","","","0.71073","Mo-Kα","","0.185","0.087","","0.23","","0.111","","","1.431","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7102396","8.8931","0.0008","6.1431","0.0005","37.907","0.003","90","","91.066","0.006","90","","2070.5","0.3","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O -","- C25 H29 N O -","- C100 H116 N4 O4 -","4","1","","Davis, Riju; Rath, Nigam P; Das, Suresh","Thermally reversible fluorescent polymorphs of alkoxy-cyano-substituted diphenylbutadienes: role of crystal packing in solid state fluorescence.","Chemical communications (Cambridge, England)","2004","","1","74","75","10.1039/b311121k","","","0.71073","MoKα","","0.132","0.0563","","","0.105","0.1305","","","","","","0.999","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102397","7.479","0.002","8.389","0.003","22.545","0.009","98.68","0.03","99.07","0.03","91.4","0.03","1379.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 N O5 Si -","- C28 H37 N O5 Si -","- C56 H74 N2 O10 Si2 -","2","1","","Shanmugham, M. Sundaram; White, James D.","A new route to furanoeremophilane sesquiterpenoids. Synthesis of (±)-6β-hydroxyeuryopsin","Chemical Communications (Cambridge, United Kingdom)","2004","","1","44","45","10.1039/b311211j","","","1.5418","CuKα","","0.0803","0.0639","","","0.1853","0.2","","","","","","1.086","","","","has coordinates","210388","2020-10-21","18:00:00",""
"7102398","12.6385","0.0007","12.5779","0.0008","16.6868","0.0012","90","","92.993","0.002","90","","2649","0.3","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C112 H144 N8 O8 -","4","1","","Duong, Hung A; Tekavec, Thomas N; Arif, Atta M; Louie, Janis","Reversible carboxylation of N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2004","","1","112","113","10.1039/b311350g","","","0.71073","MoKα","","0.1638","0.0825","","","0.1886","0.2314","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102399","13.975","0.003","19.331","0.004","16.878","0.003","90","","90.3","0.03","90","","4559.6","1.6","83","2","83","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Me4C2Cp2(BARF)Cr(CN)CNdimep","","","- C53 H37 B Cr F15 N2 -","- C53 H37 B Cr F15 N2 -","- C212 H148 B4 Cr4 F60 N8 -","4","1","","Sinnema, Piet-Jan; Nairn, Justin; Zehnder, Ralph; Shapiro, Pamela J; Twamley, Brendan; Blumenfeld, Alex","Isolation and structural characterization of the first thermally robust and air stable Cr(4+) bent-metallocene complex.","Chemical communications (Cambridge, England)","2004","","1","110","111","10.1039/b311352c","","","0.71073","MoKα","","0.0599","0.0445","","","0.103","0.1099","","","","","","1.025","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102400","11.864","0.003","12.943","0.003","15.545","0.002","72.61","0.01","73.68","0.01","71.9","0.02","2118.1","0.8","203","2","203","2","","","","","","","","6","P -1","-P 1","2","(Me4C2Cp(BARF)CpCrCNDimep) + C6H6","","","- C49 H34 B Cr F15 N -","- C49 H34 B Cr F15 N -","- C98 H68 B2 Cr2 F30 N2 -","2","1","","Sinnema, Piet-Jan; Nairn, Justin; Zehnder, Ralph; Shapiro, Pamela J; Twamley, Brendan; Blumenfeld, Alex","Isolation and structural characterization of the first thermally robust and air stable Cr(4+) bent-metallocene complex.","Chemical communications (Cambridge, England)","2004","","1","110","111","10.1039/b311352c","","","0.71073","MoKα","","0.1149","0.0645","","","0.1205","0.1381","","","","","","1.021","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102401","11.6234","0.0017","5.8505","0.0009","16.29","0.002","90","","109.624","0.003","90","","1043.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","sulfonamide10","","","- C24 H22 Br N O2 S -","- C24 H22 Br N O2 S -","- C48 H44 Br2 N2 O4 S2 -","2","1","","Lipowsky, Gunter; Helmchen, Günter","Regio- and enantioselective iridium-catalysed allylic aminations and alkylations of dienyl esters.","Chemical communications (Cambridge, England)","2004","","1","116","117","10.1039/b311502j","","","0.71073","MoKα","","0.0646","0.0523","","","0.1059","0.1122","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102402","13.8627","0.0003","17.1623","0.0003","20.0027","0.0004","65.1372","0.0007","70.6427","0.0007","66.0815","0.0007","3872.01","0.13","150","","150","","","","","","","","?","3","P 1","P 1","1","","","","- C62 H102 O50 -","- C62 H83 O50.09 -","- C124 H166 O100.18 -","2","2","","Terao, Jun; Tang, Andrew; Michels, Jasper J; Krivokapic, Alexander; Anderson, Harry L","Synthesis of poly(para-phenylenevinylene) rotaxanes by aqueous Suzuki coupling.","Chemical communications (Cambridge, England)","2004","","1","56","57","10.1039/b311762f","","","0.71073","MoKα","","0.1271","0.095","","0.1387","0.109","0.109","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102403","9.6939","0.0006","10.5225","0.0007","11.2574","0.0007","96.658","0.001","94.913","0.001","105.585","0.001","1090.4","0.12","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 I O4 -","- C10 H11 I O4 -","- C40 H44 I4 O16 -","4","2","","Zhdankin, Viktor V; Litvinov, Dmitry N; Koposov, Alexey Y; Luu, Thanh; Ferguson, Michael J; McDonald, Robert; Tykwinski, Rik R","Preparation and structure of 2-iodoxybenzoate esters: soluble and stable periodinane oxidizing reagents.","Chemical communications (Cambridge, England)","2004","","1","106","107","10.1039/b312961f","","","0.71073","MoKα","","0.0214","0.0199","","","0.053","0.0537","","","","","","1.115","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102404","8.0364","0.0004","9.0124","0.0005","10.0969","0.0006","81.281","0.001","76.595","0.001","67.422","0.001","655.25","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 I O5 S -","- C10 H13 I O5 S -","- C20 H26 I2 O10 S2 -","2","1","","Zhdankin, Viktor V; Litvinov, Dmitry N; Koposov, Alexey Y; Luu, Thanh; Ferguson, Michael J; McDonald, Robert; Tykwinski, Rik R","Preparation and structure of 2-iodoxybenzoate esters: soluble and stable periodinane oxidizing reagents.","Chemical communications (Cambridge, England)","2004","","1","106","107","10.1039/b312961f","","","0.71073","MoKα","","0.0162","0.016","","","0.0423","0.0424","","","","","","1.113","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102405","10.8981","0.0009","11.3827","0.001","11.5247","0.001","83.3624","0.0017","62.3591","0.0016","89.6303","0.0017","1256.18","0.19","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 I O4 -","- C11 H13 I O4 -","- C44 H52 I4 O16 -","4","2","","Zhdankin, Viktor V; Litvinov, Dmitry N; Koposov, Alexey Y; Luu, Thanh; Ferguson, Michael J; McDonald, Robert; Tykwinski, Rik R","Preparation and structure of 2-iodoxybenzoate esters: soluble and stable periodinane oxidizing reagents.","Chemical communications (Cambridge, England)","2004","","1","106","107","10.1039/b312961f","","","0.71073","MoKα","","0.0384","0.0324","","","0.0843","0.088","","","","","","1.032","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102406","27.6415","0.0017","27.6415","0.0017","27.6415","0.0017","90","","90","","90","","21120","2","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C57 H77 Fe4 N15 O37 -","- C57 H57 Fe4 N15 O37.01 -","- C456 H456 Fe32 N120 O296.08 -","8","0.666667","","Bai, Yan; Guo, Dong; Duan, Chun-Ying; Dang, Dong-Bin; Pang, Ke-Liang; Meng, Qing-Jin","A three dimensional porous metal-organic framework [Fe4L6.(DMF)3.(H2O)10] constructed from neutral discrete Fe4L6 pyramids [H2L = 1,3-benzodihydroxamix acid].","Chemical communications (Cambridge, England)","2004","","2","186","187","10.1039/b306264c","","","0.71073","MoKα","","0.2415","0.077","","","0.1785","0.2086","","","","","","0.983","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102407","12.309","0.004","12.207","0.005","9.46","0.003","90","","104.81","0.03","90","","1374.2","0.8","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 F8 P2 Pd -","- C24 H30 F8 P2 Pd -","- C48 H60 F16 P4 Pd2 -","2","0.5","","Nishihara, Yasushi; Onodera, Hiroyuki; Osakada, Kohtaro","Synthesis and structural characterization of the first unsymmetrical diarylpalladium complex trans-Pd(C6F5)(2,4,6-C6F3H2)(PEt3)2, derived from transmetallation between 2,4,6-trifluorophenylboronic acid and trans-Pd(C6F5)I(PEt3)2.","Chemical communications (Cambridge, England)","2004","","2","192","193","10.1039/b308741g","","","0.7107","MoKα","","0.0322","0.032","","0.037","","0.037","","","2.024","","","2.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102408","8.451","0.003","24.614","0.008","14.068","0.004","90","","105.55","0.02","90","","2819.1","1.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetrachlorobenzo-2,6-dimesitylphenyl-1,3,2-dioxophospholane","tetrachlorobenzo-2,6-dimesitylphenyl-1,3,2-dioxophospholane","","- C30 H25 Cl4 O2 P -","- C30 H25 Cl4 O2 P -","- C120 H100 Cl16 O8 P4 -","4","1","","Chen, Xufang; Smith, Rhett C; Protasiewicz, John D","Cycloaddition of phosphanylidene-sigma4-phosphoranes ArP=PMe3 and quinones to yield 1,3,2-dioxophospholanes.","Chemical communications (Cambridge, England)","2004","","2","146","147","10.1039/b309165a","","","0.71073","MoKα","","0.2103","0.08","","","0.19","0.2652","","","","","","0.91","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102409","13.623","0.002","11.232","0.0017","22.372","0.003","90","","98.531","0.012","90","","3385.4","0.9","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-di-t-butylbenzo-2,6-dimesitylphenyl-1,3,2-dioxophospholane","3,5-di-t-butylbenzo-2,6-dimesitylphenyl-1,3,2-dioxophospholane","","- C38 H45 O2 P -","- C38 O2 P -","- C152 O8 P4 -","4","1","","Chen, Xufang; Smith, Rhett C; Protasiewicz, John D","Cycloaddition of phosphanylidene-sigma4-phosphoranes ArP=PMe3 and quinones to yield 1,3,2-dioxophospholanes.","Chemical communications (Cambridge, England)","2004","","2","146","147","10.1039/b309165a","","","0.71073","MoKα","","0.1598","0.093","","","0.268","0.3236","","","","","","1.023","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102410","14.497","0.003","29.039","0.006","33.189","0.007","90","","90","","90","","13972","5","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","Pd-macrocycle-barbiturate complex","","","- C72 H59.6 Cl6 I N8 O7.3 P2 Pd -","- C72 H58 Cl6 I N8 O7.3 P2 Pd -","- C576 H464 Cl48 I8 N64 O58.4 P16 Pd8 -","8","1","","Larsen, Jens; Rasmussen, Brian S.; Hazell, Rita G.; Skrydstrup, Troels","Preparation of a novel diphosphine-palladium macrocyclic complex possessing a molecular recognition site. Oxidative addition studies.","Chemical communications (Cambridge, England)","2004","","2","202","203","10.1039/b309863j","","","0.71073","MoKα","","","0.133","","","","0.158","","","","","","1.62","","","","has coordinates","193994","2020-10-21","18:00:00",""
"7102411","9.743","0.002","21.892","0.003","17.36","0.003","90","","91.177","0.005","90","","3702","1","120","","120","","","","","","","","","8","P 1 21 1","P 2yb","4","Pd-I-benzene-macrocycle, loose barbiturate","","","- C75 H65 Cl6 I N8 O7 P2 Pd -","- C75 H65 Cl6 I N8 O7 P2 Pd -","- C150 H130 Cl12 I2 N16 O14 P4 Pd2 -","2","1","","Larsen, Jens; Rasmussen, Brian S; Hazell, Rita G; Skrydstrup, Troels","Preparation of a novel diphosphine-palladium macrocyclic complex possessing a molecular recognition site. Oxidative addition studies.","Chemical communications (Cambridge, England)","2004","","2","202","203","10.1039/b309863j","","","0.71073","MoKα","","","0.039","","","","0.044","","","","","","1.376","","","","has coordinates","193994","2020-10-21","18:00:00",""
"7102412","8.8976","0.0008","10.6766","0.0009","16.6743","0.0015","92.506","0.01","95.275","0.011","91.945","0.01","1574.6","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","(H!2$S!2$Ru!4$(C!6$H!6$)!4$)Cl!2$ water solvate","[H~2~S~2~Ru~4~(C~6~H~6~)~4~]Cl~2~ water solvate","","- C24 H34 Cl2 O4 Ru4 S2 -","- C24 H26 Ru4 S2 -","- C48 H52 Ru8 S4 -","2","1","","Chérioux, Frédéric; Therrien, Bruno; Süss-Fink, Georg","Elimination of sulfur from aromatic heterocycles by a water-soluble arene ruthenium cluster: synthesis and molecular structure of [H2S2Ru4(C6H6)4]Cl2.","Chemical communications (Cambridge, England)","2004","","2","204","205","10.1039/b310271h","","","0.71069","MoKα","","0.0411","0.0328","","","0.0822","0.084","","","","","","1.061","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102413","10.6128","0.0005","13.095","0.0006","10.4855","0.0004","99.762","0.003","106.388","0.004","79.458","0.003","1363.64","","203.2","","203.2","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H32 Br10 Se8 -","- C48 H32 Br10 Se8 -","- C48 H32 Br10 Se8 -","1","0.5","","Nakanishi, Warô; Hayashi, Satoko; Yamaguchi, Shigehiro; Tamao, Kohei","First Br4 four centre-six electron and Se2Br5 seven centre-ten electron bonds in nonionic bromine adducts of selenanthrene.","Chemical communications (Cambridge, England)","2004","","2","140","141","10.1039/b310655a","","","0.7107","MoKα","","","0.0473","","","0.0708","","","","","1.232","1.232","","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7102414","9.0412","0.0002","20.6912","0.0006","14.7923","0.0004","90","","94.369","0.002","90","","2759.2","","288.2","","288.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H32 Br10 Se8 -","- C48 H32 Br10 Se8 -","- C96 H64 Br20 Se16 -","2","1","","Nakanishi, Warô; Hayashi, Satoko; Yamaguchi, Shigehiro; Tamao, Kohei","First Br4 four centre-six electron and Se2Br5 seven centre-ten electron bonds in nonionic bromine adducts of selenanthrene.","Chemical communications (Cambridge, England)","2004","","2","140","141","10.1039/b310655a","","","0.7107","MoKα","","","0.038","","","0.0504","","","","","1.065","1.065","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102415","10.529","0.0001","18.2873","0.0002","20.6979","0.0003","90","","90","","90","","3985.32","0.08","293","2","293","2","","","","","","","synthesis as described","6","P c c n","-P 2ab 2ac","56","","","","- C40 H34 Mo O4 P2 S4 -","- C40 H34 Mo O4 P2 S4 -","- C160 H136 Mo4 O16 P8 S16 -","4","0.5","","Lorcy, Dominique; Guerro, Michel; Pellon, Pascal; Carlier, Roger","Unprecedented metal template effect on the coupling of dithiafulvene moieties.","Chemical communications (Cambridge, England)","2004","","2","212","213","10.1039/b311197k","","x-ray","0.71073","MoKα","","0.0706","0.0363","","","0.0713","0.0857","","","","","","1.086","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102416","23.3608","0.0005","19.7947","0.0004","19.4065","0.0005","90","","116.326","0.001","90","","8043.2","0.3","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Mo O4 P2 S4 -","- C40 H34 Mo O4 P2 S4 -","- C320 H272 Mo8 O32 P16 S32 -","8","1","","Lorcy, Dominique; Guerro, Michel; Pellon, Pascal; Carlier, Roger","Unprecedented metal template effect on the coupling of dithiafulvene moieties.","Chemical communications (Cambridge, England)","2004","","2","212","213","10.1039/b311197k","","x-ray","0.71073","MoKα","","0.1026","0.048","","","0.1114","0.1365","","","","","","0.99","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102417","11.584","0.0001","11.9101","0.0001","15.1839","0.0002","82.692","0.001","87.987","0.001","70.523","0.001","1958.89","0.03","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","metallacycle","","","- C40 H32 Mo O4 P2 S4 -","- C40 H32 Mo O4 P2 S4 -","- C80 H64 Mo2 O8 P4 S8 -","2","1","","Lorcy, Dominique; Guerro, Michel; Pellon, Pascal; Carlier, Roger","Unprecedented metal template effect on the coupling of dithiafulvene moieties.","Chemical communications (Cambridge, England)","2004","","2","212","213","10.1039/b311197k","","x-ray","0.71073","MoKα","","0.0908","0.0398","","","0.0741","0.0975","","","","","","1.128","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102418","5.613","0.0004","8.925","0.0005","22.154","0.002","90","","95.563","0.003","90","","1104.6","0.13","298","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Sugihara, Takumichi; Kuwahara, Kimiko; Wakabayashi, Akihito; Takao, Hiroko; Imagawa, Hiroshi; Nishizawa, Mugio","An efficient chemical fixation of nitric oxide: convenient and practical synthesis of 1,2,3-oxadiazole 3-oxides.","Chemical communications (Cambridge, England)","2004","","2","216","217","10.1039/b311382e","","","0.71073","MoKα","","0.0674","0.0538","","","0.1412","0.158","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102419","21.5758","0.001","25.1163","0.0011","11.942","0.0005","90","","90","","90","","6471.4","0.5","150","1","150","1","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H39 Ag6 Cl9 N24 O18 -","- C39 H39 Ag6 Cl9 N24 O18 -","- C156 H156 Ag24 Cl36 N96 O72 -","4","0.5","","Dong, Yu-Bin; Zhao, Xia; Tang, Bo; Wang, Huai-You; Huang, Ru-Qi; Smith, Mark D; Zur Loye, Hans-Conrad","Novel organic-inorganic composite coordination polymers generated from new multidentate Schiff-base ligand and Ag(I) salts.","Chemical communications (Cambridge, England)","2004","","2","220","221","10.1039/b311510k","","","0.71073","MoKα","","0.0476","0.0405","","","0.0941","0.0983","","","","","","1.073","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102420","15.923","0.0007","32.0114","0.0015","14.5787","0.0007","90","","90","","90","","7431","0.6","150","1","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C25 H26 Ag2 Cl2 F12 N12 Sb2 -","- C25 H26 Ag2 Cl2 F12 N12 Sb2 -","- C200 H208 Ag16 Cl16 F96 N96 Sb16 -","8","1","","Dong, Yu-Bin; Zhao, Xia; Tang, Bo; Wang, Huai-You; Huang, Ru-Qi; Smith, Mark D; Zur Loye, Hans-Conrad","Novel organic-inorganic composite coordination polymers generated from new multidentate Schiff-base ligand and Ag(I) salts.","Chemical communications (Cambridge, England)","2004","","2","220","221","10.1039/b311510k","","","0.71073","MoKα","","0.0506","0.045","","","0.1273","0.1323","","","","","","1.052","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102421","10.7857","0.0002","17.2422","0.0004","20.1713","0.0005","90","","90","","90","","3751.24","0.15","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Fe2 N14 O2 Se2 -","- C34 H26 Fe2 N14 O2 Se2 -","- C136 H104 Fe8 N56 O8 Se8 -","4","0.5","","Leita, Ben A; Moubaraki, Boujemaa; Murray, Keith S; Smith, Jonathan P; Cashion, John D","Structure and magnetism of a new pyrazolate bridged iron(II) spin crossover complex displaying a single HS-HS to LS-LS transition.","Chemical communications (Cambridge, England)","2004","","2","156","157","10.1039/b311818e","","","0.71073","MoKα","","0.1262","0.0687","","","0.1887","0.2367","","","","","","1.16","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102422","10.7857","0.0006","17.249","0.0017","20.137","0.0015","90","","90","","90","","3746.3","0.5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(Fe(mu-PyPz)(PyPzH)(NCSe))2.2H2O","","","- C34 H26 Fe2 N14 O2 Se2 -","- C34 H26 Fe2 N14 O2 Se2 -","- C136 H104 Fe8 N56 O8 Se8 -","4","0.5","","Leita, Ben A; Moubaraki, Boujemaa; Murray, Keith S; Smith, Jonathan P; Cashion, John D","Structure and magnetism of a new pyrazolate bridged iron(II) spin crossover complex displaying a single HS-HS to LS-LS transition.","Chemical communications (Cambridge, England)","2004","","2","156","157","10.1039/b311818e","","","0.71073","MoKα","","0.2082","0.1112","","","0.2654","0.3453","","","","","","1.114","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102423","11.0548","0.0003","17.3638","0.0006","20.6543","0.0008","90","","90","","90","","3964.7","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(Fe(mu-PyPz)(PyPzH)(NCSe))2.2H2O","","","- C34 H26 Fe2 N14 O2 Se2 -","- C34 H26 Fe2 N14 O2 Se2 -","- C136 H104 Fe8 N56 O8 Se8 -","4","0.5","","Leita, Ben A; Moubaraki, Boujemaa; Murray, Keith S; Smith, Jonathan P; Cashion, John D","Structure and magnetism of a new pyrazolate bridged iron(II) spin crossover complex displaying a single HS-HS to LS-LS transition.","Chemical communications (Cambridge, England)","2004","","2","156","157","10.1039/b311818e","","","0.71073","MoKα","","0.2346","0.1058","","","0.2763","0.3639","","","","","","1.091","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102424","14.531","0.003","18.149","0.004","19.061","0.004","63.152","0.003","77.773","0.004","89.381","0.004","4362.3","1.5","173.5","0.1","173.5","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C164 H176 F24 N8 O52 S8 -","- C164 H172 F24 N8 O52 S8 -","- C164 H172 F24 N8 O52 S8 -","1","0.5","","Hubbard, Amy L; Davidson, Gregory J E; Patel, Roopa H; Wisner, James A; Loeb, Stephen J","Host-guest interactions template: the synthesis of a [3]catenane.","Chemical communications (Cambridge, England)","2004","","2","138","139","10.1039/b312449e","","","0.71073","MoKα","","0.1066","0.0897","","","0.2031","0.2161","","","","","","1.115","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102425","15.9763","0.0019","15.9763","0.0019","51.131","0.009","90","","90","","120","","11302","3","173","2","173","2","","","","","","","","7","P -3","-P 3","147","","","","- C104.5 H117.75 F12 N9.25 Ni O8 P2 -","- C104.52 H117.78 F12.03 N9.26 Ni O7.9825 P2.005 -","- C418.08 H471.12 F48.12 N37.04 Ni4 O31.93 P8.02 -","4","0.666667","","Perkins, David F; Lindoy, Leonard F; Meehan, George V; Turner, Peter","Inherent helicity in an extended tris-bipyridyl molecular cage.","Chemical communications (Cambridge, England)","2004","","2","152","153","10.1039/b312716h","","","0.71073","MoKα","","0.1069","0.0756","","","0.2061","0.2426","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102426","15.555","0.004","16.622","0.002","23.495","0.006","71.105","0.011","78.998","0.008","70.89","0.011","5406","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C112.5 H126 N8 O6.5 -","- C112.5 H126 N8 O6.5 -","- C225 H252 N16 O13 -","2","1","","Perkins, David F; Lindoy, Leonard F; Meehan, George V; Turner, Peter","Inherent helicity in an extended tris-bipyridyl molecular cage.","Chemical communications (Cambridge, England)","2004","","2","152","153","10.1039/b312716h","","","0.56356","synchrotron","","0.1905","0.1613","","","0.4067","0.4376","","","","","","1.188","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102427","32.668","0.002","24.2542","0.0017","16.2044","0.0011","90","","90","","90","","12839.5","1.5","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C102 H83 Cl12 Co6 N21 Na8 O24 P4 -","- C102 H83 Cl12 Co6 N21 Na8 O24 P4 -","- C408 H332 Cl48 Co24 N84 Na32 O96 P16 -","4","1","","Langley, Stuart; Helliwell, Madeleine; Raftery, James; Tolis, Evangelos I; Winpenny, Richard E P","Phosphonate ligands encourage a platonic relationship between cobalt(II) and alkali metal ions.","Chemical communications (Cambridge, England)","2004","","2","142","143","10.1039/b312769a","","","0.71073","MoKα","","0.0421","0.0361","","","0.0787","0.0809","","","","","","1.055","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102428","23.5886","0.0012","23.5886","0.0012","15.9501","0.0014","90","","90","","120","","7686","0.9","100","2","100","2","","","","","","","","8","P -3","-P 3","147","","","","- C109.5 H100 Cl22 Co6 Li9 N18 O23 P -","- C109.5 H78 Cl22 Co6 Li9 N18 O23 P -","- C219 H156 Cl44 Co12 Li18 N36 O46 P2 -","2","0.333333","","Langley, Stuart; Helliwell, Madeleine; Raftery, James; Tolis, Evangelos I; Winpenny, Richard E P","Phosphonate ligands encourage a platonic relationship between cobalt(II) and alkali metal ions.","Chemical communications (Cambridge, England)","2004","","2","142","143","10.1039/b312769a","","","0.71073","MoKα","","0.0753","0.0537","","","0.1567","0.1736","","","","","","0.965","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102429","6.954","0.0015","9.6744","0.0021","10.0411","0.0023","90","","93.317","0.004","90","","674.387","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mn4 O12 Sr7 -","- Mn4 O12 Sr7 -","- Mn8 O24 Sr14 -","2","0.5","","Hayward, M A","Selective deintercalation of apex over face-shared oxide ions in the topotactic reduction of Sr7Mn4O15 to Sr7Mn4O12.","Chemical communications (Cambridge, England)","2004","","2","170","171","10.1039/b312792c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102430","5.1432","0.0012","5.1432","","5.1432","","90","","90","","90","","136.05","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Hayward, M A","Selective deintercalation of apex over face-shared oxide ions in the topotactic reduction of Sr7Mn4O15 to Sr7Mn4O12.","Chemical communications (Cambridge, England)","2004","","2","170","171","10.1039/b312792c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102431","12.4287","0.0005","8.1038","0.0004","13.0208","0.0006","90","","106.313","0.002","90","","1258.65","0.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H15 Ag F3 N3 O3 S -","- C7 H15 Ag F3 N3 O3 S -","- C28 H60 Ag4 F12 N12 O12 S4 -","4","2","","Pickering, Alexandra L; Seeber, Georg; Long, De-Liang; Cronin, Leroy","Polymeric silver(I) coordination tubes.","Chemical communications (Cambridge, England)","2004","","2","136","137","10.1039/b312876h","","","0.71073","MoKα","","0.05","0.036","","","0.07","0.075","","","","","","1.04","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102432","8.5527","0.0002","7.8253","0.0002","21.9735","0.0006","90","","98.462","0.001","90","","1454.62","0.06","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H19 Ag F3 N3 O4 S -","- C8 H19 Ag F3 N3 O4 S -","- C32 H76 Ag4 F12 N12 O16 S4 -","4","1","","Pickering, Alexandra L; Seeber, Georg; Long, De-Liang; Cronin, Leroy","Polymeric silver(I) coordination tubes.","Chemical communications (Cambridge, England)","2004","","2","136","137","10.1039/b312876h","","","0.71073","MoKα","","0.051","0.035","","","0.078","0.084","","","","","","1.056","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102433","4.8934","0.0004","7.2298","0.0006","16.9499","0.0015","91.011","0.002","93.835","0.002","101.711","0.002","585.56","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","indium(I) trifluoromethanesulfonate","","","- C H0 F3 In O3 S -","- C F3 In O3 S -","- C4 F12 In4 O12 S4 -","4","2","","Macdonald, Charles L B; Corrente, Andrea M; Andrews, Christopher G; Taylor, Alexis; Ellis, Bobby D","Indium(I) trifluoromethanesulfonate and other soluble salts for univalent indium chemistry.","Chemical communications (Cambridge, England)","2004","","2","250","251","10.1039/b312983g","","","0.71073","MoKα","","0.0499","0.0479","","","0.1213","0.1225","","","","","","1.314","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102434","20.5945","0.0008","8.6556","0.0003","22.805","0.0008","90","","90","","90","","4065.2","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H34 B2 Cu2 F8 N10 O -","- C41 H34 B2 Cu2 F8 N10 O -","- C164 H136 B8 Cu8 F32 N40 O4 -","4","1","","Cragg, Peter J; Heirtzler, Fenton R; Howard, Mark J; Prokes, Ivan; Weyhermüller, Thomas","In flagrante metallo-cyclophane self-assembly?","Chemical communications (Cambridge, England)","2004","","3","280","281","10.1039/b310558j","","","0.71073","MoKα","","0.0444","0.0366","","","0.0751","0.0786","","","","","","1.03","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102435","20.2","0.005","17.983","0.005","22.885","0.006","90","","105.023","0.006","90","","8029","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C82 H119 N9 O12 -","- C82 H119 N9 O12 -","- C328 H476 N36 O48 -","4","1","","Kröck, Lenz; Shivanyuk, Alexander; Goodin, David B; Rebek, Jr, Julius","Spin labeling monitors weak host-guest interactions.","Chemical communications (Cambridge, England)","2004","","3","272","273","10.1039/b311351e","","","0.71073","MoKα","","0.2656","0.0852","","","0.1668","0.2274","","","","","","1.003","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102436","9.136","0.003","20.316","0.003","21.355","0.002","90","","94.37","0.02","90","","3952.1","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Cs(18-crown-6)) tetraphenyldithiodimidodiphosphinate","[Cs(18-crown-6)] tetraphenyldithiodimidodiphosphinate","","- C36 H44 Cs N O6 P2 S2 -","- C36 H44 Cs N O6 P2 S2 -","- C144 H176 Cs4 N4 O24 P8 S8 -","4","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.1596","0.0738","","","0.1727","0.2268","","","","","","1.021","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102437","9.232","0.002","20.359","0.003","21.385","0.003","90","","94.8","0.01","90","","4005.3","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Cs(18-crown-6)) tetraphenyldiselenodimidodiphosphinate","[Cs(18-crown-6)] tetraphenyldiselenodimidodiphosphinate","","- C36 H44 Cs N O6 P2 Se2 -","- C36 H44 Cs N O6 P2 Se2 -","- C144 H176 Cs4 N4 O24 P8 Se8 -","4","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.1952","0.0808","","","0.1548","0.2045","","","","","","1.019","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102438","23.618","0.003","72.846","0.008","9.1","0.003","90","","90","","90","","15656","6","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","Rubidium(18-crown-6) imidobis(diphenylselenophosphinate- Se,Se')","Rubidium(18-crown-6) imidobis(diphenylselenophosphinate-Se,Se')","","- C36 H44 N O6 P2 Rb Se2 -","- C36 H44 N O6 P2 Rb Se2 -","- C576 H704 N16 O96 P32 Rb16 Se32 -","16","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.1556","0.0734","","","0.1305","0.1659","","","","","","1.026","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102439","23.534","0.002","72.099","0.005","9.043","0.002","90","","90","","90","","15344","4","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","Rubidium(18-crown-6) imidobis(diphenylthiophosphinate-S,S')","Rubidium(18-crown-6) imidobis(diphenylthiophosphinate-S,S')","","- C36 H44 N O6 P2 Rb S2 -","- C36 H44 N O6 P2 Rb S2 -","- C576 H704 N16 O96 P32 Rb16 S32 -","16","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.1617","0.0732","","","0.1184","0.1517","","","","","","1.04","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102440","10.114","0.004","15.598","0.002","24.412","0.003","90","","90","","90","","3851.2","1.7","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Aquarubidium(18-crown-6)) imidobis(diphenylphosphinate-O,O')","[Aquarubidium(18-crown-6)] imidobis(diphenylphosphinate-O,O')","","- C36 H46 N O9 P2 Rb -","- C36 H46 N O9 P2 Rb -","- C144 H184 N4 O36 P8 Rb4 -","4","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.2032","0.0844","","","0.1658","0.2338","","","","","","1.007","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102441","10.059","0.001","15.769","0.003","24.871","0.003","90","","90","","90","","3945","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Aquacesium(18-crown-6)) imidobis(diphenylphosphinate-O,O')","[Aquacesium(18-crown-6)] imidobis(diphenylphosphinate-O,O')","","- C36 H46 Cs N O9 P2 -","- C36 H46 Cs N O9 P2 -","- C144 H184 Cs4 N4 O36 P8 -","4","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.092","0.0586","","","0.1424","0.1797","","","","","","1.048","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102442","11.473","0.002","12.017","0.003","13.736","0.002","96.49","0.02","90.96","0.01","103.93","0.03","1824.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(Li(15C5))(Ph2SPNPSPh2)","","","- C34 H42 Li N O6 P2 S2 -","- C34 H42 Li N O6 P2 S2 -","- C68 H84 Li2 N2 O12 P4 S4 -","2","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.1022","0.0631","","","0.1594","0.1788","","","","","","0.936","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102443","11.449","0.005","12.05","0.003","13.894","0.003","97.6","0.02","91.13","0.03","103.26","0.03","1846.9","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(Li(15C5))(Ph2SePNPSePh2)","","","- C34 H42 Li N O6 P2 Se2 -","- C34 H42 Li N O6 P2 Se2 -","- C68 H84 Li2 N2 O12 P4 Se4 -","2","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.0955","0.0461","","","0.0976","0.1111","","","","","","0.939","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102444","13.609","0.006","26.75","0.01","5.416","0.005","90","","90","","90","","1971","2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H26 N4 O12 Pb -","- C10 H26 N4 O12 Pb -","- C40 H104 N16 O48 Pb4 -","4","1","","Burford, Neil; Eelman, Melanie D; LeBlanc, Wesley G; Cameron, T Stanley; Robertson, Katherine N","Definitive identification of lead(II)-amino acid adducts and the solid state structure of a lead-valine complex.","Chemical communications (Cambridge, England)","2004","","3","332","333","10.1039/b311599b","","","0.7107","MoKα","","0.1622","0.0427","","","0.1092","0.1494","","","","","","0.966","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102445","6.3179","0.0011","14.364","0.003","17.96","0.003","74.636","0.003","80.608","0.004","86.767","0.003","1550.5","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","BHA","3-tert-Butyl-4-hydroxyanisole","","- C11 H16 O2 -","- C11 H16 O2 -","- C66 H96 O12 -","6","3","","McMahon, Jennifer A; Zaworotko, Michael J; Remenar, Julius F","Polymorphism in butylated hydroxy anisole (BHA).","Chemical communications (Cambridge, England)","2004","","3","278","279","10.1039/b311606a","","","0.71073","MoKα","","0.0871","0.0547","","","0.1403","0.1618","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102446","24.2612","0.0011","24.2612","0.0011","9.3049","0.0008","90","","90","","120","","4743.1","0.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","BHA","3-tert-Butyl-4-hydroxyanisole","","- C11 H16 O2 -","- C11 H16 O2 -","- C198 H288 O36 -","18","1","","McMahon, Jennifer A; Zaworotko, Michael J; Remenar, Julius F","Polymorphism in butylated hydroxy anisole (BHA).","Chemical communications (Cambridge, England)","2004","","3","278","279","10.1039/b311606a","","","0.71073","MoKα","","0.0552","0.0435","","","0.1185","0.1269","","","","","","0.885","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102447","23.24","0.0004","20.624","0.0004","11.885","0.0002","90","","103.386","0.001","90","","5541.74","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(NEt4)+(2-(HOOC-C6H4)-closo-2-CB9H9)- * (NEt4)+Br-","","","- C40 H88 B18 Br N3 O4 -","- C40 H88 B18 Br N3 O4 -","- C160 H352 B72 Br4 N12 O16 -","4","0.5","","Franken, Andreas; Kilner, Colin A; Kennedy, John D","Polyhedral monocarbaborane chemistry. Carboxylic acid derivatives of the [closo-2-CB9H10]- anion.","Chemical communications (Cambridge, England)","2004","","3","328","329","10.1039/b311853n","","","0.71073","MoKα","","0.0884","0.0649","","","0.1574","0.1722","","","","","","1.025","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102448","30.0062","0.0003","15.1936","0.0002","16.7407","0.0002","90","","112.029","0.001","90","","7074.93","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(NEt4)+(2-HOOC-closo-2-CB9H9)-","","","- C20 H60 B18 N2 O4 -","- C20.25 H59 B18 N2 O4 -","- C162 H472 B144 N16 O32 -","8","1","","Franken, Andreas; Kilner, Colin A; Kennedy, John D","Polyhedral monocarbaborane chemistry. Carboxylic acid derivatives of the [closo-2-CB9H10]- anion.","Chemical communications (Cambridge, England)","2004","","3","328","329","10.1039/b311853n","","x-ray","0.71069","MoKα","","0.089","0.0726","","","0.2059","0.2306","","","","","","1.041","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102449","20.078","0.0007","11.066","0.0002","22.599","0.0008","90","","97.566","0.002","90","","4977.4","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H77 Cl2 Fe N8 O6 S2 -","- C42 H77 Cl2 Fe N8 O6 S2 -","- C168 H308 Cl8 Fe4 N32 O24 S8 -","4","1","","Galardon, Erwan; Giorgi, Michel; Artaud, Isabelle","Oxygenation of thiolates to S-bonded sulfinate in an iron III complex related to nitrile hydratase.","Chemical communications (Cambridge, England)","2004","","3","286","287","10.1039/b312318a","","","0.71073","MoKα","","0.0808","0.0529","","","0.1017","0.1193","","","","","","1.131","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102450","9.9635","0.0019","10.21","0.002","17.427","0.003","94.196","0.003","105.466","0.003","106.808","0.004","1613.7","0.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H39 Cl2 N4 O2 Pt Se2 -","- C32 H39 Cl2 N4 O2 Pt Se2 -","- C64 H78 Cl4 N8 O4 Pt2 Se4 -","2","1","","Panda, Snigdha; Singh, Harkesh B; Butcher, Ray J","Contrasting coordination behaviour of 22-membered chalcogenaaza (Se, Te) macrocylces towards Pd(II) and Pt(II): isolation and structural characterization of the first metallamacrocyle with a C-Pt-Se linkage.","Chemical communications (Cambridge, England)","2004","","3","322","323","10.1039/b312358h","","","0.71073","MoKα","","0.0474","0.0352","","","0.0801","0.0874","","","","","","1.056","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102451","9.9501","0.0014","10.501","0.0015","10.6403","0.0016","103.622","0.002","117.296","0.002","103.042","0.003","885.6","0.2","168","2","168","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 F12 N4 P2 Pd Se2 -","- C32 H36 F12 N4 P2 Pd Se2 -","- C32 H36 F12 N4 P2 Pd Se2 -","1","0.5","","Panda, Snigdha; Singh, Harkesh B; Butcher, Ray J","Contrasting coordination behaviour of 22-membered chalcogenaaza (Se, Te) macrocylces towards Pd(II) and Pt(II): isolation and structural characterization of the first metallamacrocyle with a C-Pt-Se linkage.","Chemical communications (Cambridge, England)","2004","","3","322","323","10.1039/b312358h","","","0.71073","MoKα","","0.0442","0.033","","","0.076","0.0798","","","","","","1.051","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102452","12.072","0.006","13.264","0.006","14.527","0.007","104.235","0.008","107.668","0.009","110.244","0.008","1912.6","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 Cl2 N4 O7 Pd Te2 -","- C32 H48 Cl2 N4 O7 Pd Te2 -","- C64 H96 Cl4 N8 O14 Pd2 Te4 -","2","1","","Panda, Snigdha; Singh, Harkesh B; Butcher, Ray J","Contrasting coordination behaviour of 22-membered chalcogenaaza (Se, Te) macrocylces towards Pd(II) and Pt(II): isolation and structural characterization of the first metallamacrocyle with a C-Pt-Se linkage.","Chemical communications (Cambridge, England)","2004","","3","322","323","10.1039/b312358h","","","0.71073","MoKα","","0.0938","0.0782","","","0.1844","0.2003","","","","","","1.067","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102453","25.0265","0.0017","25.0265","0.0017","7.7474","0.0011","90","","90","","120","","4202.3","0.7","150","2","150","2","","","","","","","","6","P 6 2 2","P 6 2","177","","","","- C84 H180 Cl12 Fe12 N12 O96 -","- C84 H180 Cl12 Fe12 N12 O96 -","- C84 H180 Cl12 Fe12 N12 O96 -","1","0.0833333","","Abu-Nawwas, Abd-Alhakeem H; Cano, Joan; Christian, Paul; Mallah, Talal; Rajaraman, Gopalan; Teat, Simon J; Winpenny, Richard E P; Yukawa, Yasuhiko","An FeIII wheel with a zwitterionic ligand: the structure and magnetic properties of [Fe(OMe)2(proline)]12[ClO4]12.","Chemical communications (Cambridge, England)","2004","","3","314","315","10.1039/b312947k","","","0.6938","synchrotron","","0.0783","0.0722","","","0.2139","0.2187","","","","","","1.132","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102454","14.0963","0.0011","12.8611","0.001","11.1642","0.0009","90","","104.322","0.001","90","","1961.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 F2 N O6 -","- C18 H29 F2 N O6 -","- C72 H116 F8 N4 O24 -","4","1","","Fawcett, John; Griffiths, Gerry A; Percy, Jonathan M; Pintat, Stéphane; Smith, Clive A; Spencer, Neil S; Uneyama, Emi","Towards conformationally-locked difluorosugar analogues: an unexpected sense of dihydroxylation.","Chemical communications (Cambridge, England)","2004","","3","302","303","10.1039/b313813e","","","0.71073","MoKα","","0.048","0.0369","","","0.0843","0.0887","","","","","","1.012","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102455","11.1736","0.0001","14.4669","0.0002","16.8054","0.0002","100.391","0.001","95.629","0.001","103.294","0.001","2572.61","0.05","100","","100","","","","","","","","see paper","6","P -1","-P 1","2","","","","- C48 H81 La N2 O4 Si2 -","- C49.5 H66.5 La N2 O4 Si2 -","- C99 H133 La2 N4 O8 Si4 -","2","1","","Cai, Chen-Xin; Amgoune, Abderramane; Lehmann, Christian W; Carpentier, Jean-François","Stereoselective ring-opening polymerization of racemic lactide using alkoxy-amino-bis(phenolate) group 3 metal complexes.","Chemical communications (Cambridge, England)","2004","","3","330","331","10.1039/b314030j","","","0.71073","MoKα","","0.0835","0.0591","","","0.1256","0.1371","","","","","","1.061","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102456","23.4513","0.0005","13.4607","0.0002","24.5485","0.0005","90","","116.129","0.0004","90","","6957.3","0.2","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C92 H68 O6 P4 -","- C92 H68 O6 P4 -","- C368 H272 O24 P16 -","4","1","","Kojima, Takahiko; Ishioka, Yoshitaka; Matsuda, Yoshihisa","Novel cofacial oxidative coupling reaction of phosphinine in the presence of CuI and ClO4-.","Chemical communications (Cambridge, England)","2004","","4","366","367","10.1039/b308892h","","","0.7107","MoKα","","","0.0719","","","","0.1854","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102457","9.9608","0.0018","14.688","0.003","14.925","0.003","90","","90","","90","","2183.7","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H8 Co O6 -","- C4 H7.68 Co O6 -","- C48 H92.16 Co12 O72 -","12","1.5","","Forster, Paul M; Burbank, Andrea R; Livage, Carine; Férey, Gérard; Cheetham, Anthony K","The role of temperature in the synthesis of hybrid inorganic-organic materials: the example of cobalt succinates.","Chemical communications (Cambridge, England)","2004","","4","368","369","10.1039/b311156c","","","0.71073","MoKα","","0.0379","0.0307","","","0.0792","0.0837","","","","","","0.833","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102458","7.1114","0.0007","7.873","0.001","9.0284","0.001","76.627","0.014","68.437","0.011","76.232","0.014","450.77","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C14 H18 Co2 N2 O14 -","2","1","","Tong, Ming-Liang; Kitagawa, Susumu; Chang, Ho-Chol; Ohba, Masaaki","Temperature-controlled hydrothermal synthesis of a 2D ferromagnetic coordination bilayered polymer and a novel 3D network with inorganic Co3(OH)2 ferrimagnetic chains.","Chemical communications (Cambridge, England)","2004","","4","418","419","10.1039/b312058a","","","0.71073","MoKα","","0.0412","0.0353","","","0.0788","0.0829","","","","","","1.085","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7102459","6.5875","0.0014","6.786","0.0015","9.975","0.002","76.123","0.015","71.782","0.014","77.067","0.016","405.8","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Co3 N2 O12 -","- C14 H12 Co3 N2 O12 -","- C14 H12 Co3 N2 O12 -","1","0.5","","Tong, Ming-Liang; Kitagawa, Susumu; Chang, Ho-Chol; Ohba, Masaaki","Temperature-controlled hydrothermal synthesis of a 2D ferromagnetic coordination bilayered polymer and a novel 3D network with inorganic Co3(OH)2 ferrimagnetic chains.","Chemical communications (Cambridge, England)","2004","","4","418","419","10.1039/b312058a","","","0.71073","MoKα","","0.048","0.0435","","","0.1123","0.116","","","","","","1.001","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102460","33.3992","0.0017","16.2615","0.0008","17.7104","0.0009","90","","104.21","0.001","90","","9324.6","0.8","293","2","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(tetra-n-propylammonium) croconate-urea-water (1/3/8)","bis(tetra-n-propylammonium) croconate-urea-water (1/3/8)","","- C32 H84 N8 O16 -","- C32 H84 N8 O16 -","- C256 H672 N64 O128 -","8","1","","Lam, Chi-Keung; Cheng, Mei-Fun; Li, Chi-Lun; Zhang, Jie-Peng; Chen, Xiao-Ming; Li, Wai-Kee; Mak, Thomas C W","Stabilization of D5h and C2v valence tautomers of the croconate dianion.","Chemical communications (Cambridge, England)","2004","","4","448","449","10.1039/b312545a","","","0.71073","MoKα","","0.0511","0.0439","","","0.1189","0.1261","","","","","","1.045","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102461","25.211","0.004","13.5697","0.0019","15.775","0.002","90","","93.204","0.018","90","","5388.4","1.4","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(tetra-n-butylammonium) croconate-1,3-dimethylurea (1/3)","bis(tetra-n-butylammonium) croconate-1,3-dimethylurea (1/3)","","- C46 H96 N8 O8 -","- C46 H96 N8 O8 -","- C184 H384 N32 O32 -","4","0.5","","Lam, Chi-Keung; Cheng, Mei-Fun; Li, Chi-Lun; Zhang, Jie-Peng; Chen, Xiao-Ming; Li, Wai-Kee; Mak, Thomas C W","Stabilization of D5h and C2v valence tautomers of the croconate dianion.","Chemical communications (Cambridge, England)","2004","","4","448","449","10.1039/b312545a","","","0.71073","MoKα","","0.0515","0.0466","","","0.1284","0.1337","","","","","","1.035","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102462","36.856","0.007","21.666","0.004","24.589","0.005","90","","98.523","0.004","90","","19417.6","6.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H102 Cl2 F6 N10 O16 S2 -","- C90 H102 Cl2 F6 N10 O16 S2 -","- C720 H816 Cl16 F48 N80 O128 S16 -","8","1","","Oliva, Ana I; Simón, Luis; Muñiz, Francisco M; Sanz, Francisca; Morán, Joaquín R","A trans-tetrahydrobenzoxanthene receptor for the resolution of racemic mixtures of sulfonylamino acids.","Chemical communications (Cambridge, England)","2004","","4","426","427","10.1039/b312560b","","","0.71073","MoKα","","0.3309","0.1045","","0.3452","0.2917","","","","0.947","1.577","1.577","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102463","16.069","0.003","13.635","0.003","11.508","0.002","90","","111.6","0.03","90","","2344.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N4 O9 Zn2 -","- C24 H16 N4 O9 Zn2 -","- C96 H64 N16 O36 Zn8 -","4","0.5","","Wang, Xinlong; Qin, Chao; Wang, Enbo; Li, Yangguang; Hu, Changwen; Xu, Lin","Designed double layer assembly: a three-dimensional open framework with two types of cavities by connection of infinite two-dimensional bilayer.","Chemical communications (Cambridge, England)","2004","","4","378","379","10.1039/b313364h","","","0.71073","MoKα","","0.0387","0.0333","","","0.1021","0.1068","","","","","","1.018","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102464","17.6655","0.0005","7.4717","0.0001","12.8216","0.0004","90","","104.361","0.002","90","","1639.46","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H20 Co3 F6 N4 O8 S2 -","- C4 H20 Co3 F6 N4 O8 S2 -","- C16 H80 Co12 F24 N16 O32 S8 -","4","1","","Behera, J N; Paul, Geo; Choudhury, A; Rao, C N R","An organically templated Co(II) sulfate with the kagome lattice.","Chemical communications (Cambridge, England)","2004","","4","456","457","10.1039/b313594b","","","0.71073","MoKα","","0.0516","0.031","","0.0784","0.0709","","","","1.018","1.11","1.11","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102465","16.6168","0.0003","9.066","0.0002","17.3742","0.0004","90","","114.96","","90","","2373","","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","(Ti(Me3(9)aneN3)(N-t-Bu)Me2) . C6H6","[Ti(Me3[9]aneN3)(N-t-Bu)Me2] . C6H6","","- C21 H42 N4 Ti -","- C21 H42 N4 Ti -","- C84 H168 N16 Ti4 -","4","1","","Adams, Nico; Arts, Henricus J; Bolton, Paul D; Cowell, Dan; Dubberley, Stuart R; Friederichs, Nic; Grant, Craig M; Kranenburg, Mirko; Sealey, Andrew J; Wang, Bing; Wilson, Paul J; Cowley, Andrew R; Mountford, Philip; Schröder, Martin","Discovery and evaluation of highly active imidotitanium ethylene polymerisation catalysts using high throughput catalyst screening.","Chemical communications (Cambridge, England)","2004","","4","434","435","10.1039/b313921b","","","0.71073","MoKα","","","0.0506","","","","0.0617","","","","","","1.0439","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102466","7.436","0.011","17.116","0.0012","8.713","0.013","90","","105.712","0.014","90","","1068","2","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Alonso, A Mateo; Horcajada, Roberto; Groombridge, Helen J; Mandalia, Reshma; Motevalli, Majid; Utley, James H P; Wyatt, Peter B","Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives.","Chemical communications (Cambridge, England)","2004","","4","412","413","10.1039/b313995f","","","0.71073","MoKα","","0.0485","0.0329","","","0.0758","0.0818","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102467","8.429","0.007","15.65","0.014","9.98","0.009","90","","105.4","0.07","90","","1269.2","1.9","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H31 N2 O7 -","- C29 H31 N2 O7 -","- C58 H62 N4 O14 -","2","1","","Alonso, A Mateo; Horcajada, Roberto; Groombridge, Helen J; Mandalia, Reshma; Motevalli, Majid; Utley, James H P; Wyatt, Peter B","Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives.","Chemical communications (Cambridge, England)","2004","","4","412","413","10.1039/b313995f","","","0.71073","MoKα","","0.0541","0.0457","","","0.1151","0.121","","","","","","1.066","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102468","13.3625","0.0004","16.2726","0.0005","19.4817","0.0007","90","","90","","90","","4236.2","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C192 H224 N16 O32 -","8","2","","Alonso, A Mateo; Horcajada, Roberto; Groombridge, Helen J; Mandalia, Reshma; Motevalli, Majid; Utley, James H P; Wyatt, Peter B","Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives.","Chemical communications (Cambridge, England)","2004","","4","412","413","10.1039/b313995f","","","0.71073","MoKα","","0.1842","0.0844","","","0.197","0.2376","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102469","10.0266","0.0003","11.8433","0.0004","14.9627","0.0005","90","","90","","90","","1776.79","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Alonso, A Mateo; Horcajada, Roberto; Groombridge, Helen J; Mandalia, Reshma; Motevalli, Majid; Utley, James H P; Wyatt, Peter B","Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives.","Chemical communications (Cambridge, England)","2004","","4","412","413","10.1039/b313995f","","","0.71073","MoKα","","0.0661","0.0412","","","0.0841","0.0927","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102470","11.8841","0.0016","13.7144","0.0008","19.802","0.0009","77.335","0.004","71.54","0.003","84.6841","0.0017","2985.9","0.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","Cr complex","","","- C51 H80 Cr Ge O6 Si6 -","- C51 H80 Cr Ge O6 Si6 -","- C102 H160 Cr2 Ge2 O12 Si12 -","2","1","","Tajima, Tomoyuki; Sasaki, Takayo; Sasamori, Takahiro; Takeda, Nobuhiro; Tokitoh, Norihiro","Thermal reactions of an overcrowded germacyclopropabenzene with group 6 metal hexacarbonyl complexes [M(CO)6](M = Cr, Mo, and W): a novel mode of CO insertion leading to the formation of cyclic germoxycarbene metal complexes.","Chemical communications (Cambridge, England)","2004","","4","402","403","10.1039/b314010e","","","0.7107","MoKα","","0.0675","0.0451","","","0.1116","0.1187","","","","","","1.023","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102471","11.911","0.005","13.826","0.006","19.818","0.008","77.247","0.012","71.363","0.011","84.446","0.014","3015","2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","Mo complex","","","- C51 H80 Ge Mo O6 Si6 -","- C51 H80 Ge Mo O6 Si6 -","- C102 H160 Ge2 Mo2 O12 Si12 -","2","1","","Tajima, Tomoyuki; Sasaki, Takayo; Sasamori, Takahiro; Takeda, Nobuhiro; Tokitoh, Norihiro","Thermal reactions of an overcrowded germacyclopropabenzene with group 6 metal hexacarbonyl complexes [M(CO)6](M = Cr, Mo, and W): a novel mode of CO insertion leading to the formation of cyclic germoxycarbene metal complexes.","Chemical communications (Cambridge, England)","2004","","4","402","403","10.1039/b314010e","","","0.7107","MoKα","","0.098","0.0688","","","0.1623","0.1783","","","","","","1.075","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102472","11.907","0.003","13.8","0.004","19.771","0.005","77.242","0.008","71.489","0.007","84.456","0.009","3003.4","1.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","W complex","","","- C51 H80 Ge O6 Si6 W -","- C51 H80 Ge O6 Si6 W -","- C102 H160 Ge2 O12 Si12 W2 -","2","1","","Tajima, Tomoyuki; Sasaki, Takayo; Sasamori, Takahiro; Takeda, Nobuhiro; Tokitoh, Norihiro","Thermal reactions of an overcrowded germacyclopropabenzene with group 6 metal hexacarbonyl complexes [M(CO)6](M = Cr, Mo, and W): a novel mode of CO insertion leading to the formation of cyclic germoxycarbene metal complexes.","Chemical communications (Cambridge, England)","2004","","4","402","403","10.1039/b314010e","","","0.7107","MoKα","","0.0465","0.0405","","","0.0858","0.0884","","","","","","1.075","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102473","9.0776","0.001","10.2002","0.0011","14.5845","0.0016","104.467","0.002","101.407","0.002","98.007","0.002","1256.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 Cl4 N12 O26 Zn2 -","- C30 H52 Cl4 N12 O26 Zn2 -","- C30 H52 Cl4 N12 O26 Zn2 -","1","0.5","","Rivas, Juan C Mareque; Salvagni, Emiliano; Parsons, Simon","Structures and reactivity of synthetic zinc(II) complexes resembling the active sites and reaction intermediates of aminopeptidases.","Chemical communications (Cambridge, England)","2004","","4","460","461","10.1039/b314089j","","","0.71073","MoKα","","0.0657","0.0543","","","0.1348","0.1438","","","","","","1.069","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102474","16.0691","0.001","7.9677","0.0005","16.3441","0.001","90","","96.923","0.001","90","","2077.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Cl2 N5 O10 Zn -","- C13 H23 Cl2 N5 O10 Zn -","- C52 H92 Cl8 N20 O40 Zn4 -","4","1","","Rivas, Juan C Mareque; Salvagni, Emiliano; Parsons, Simon","Structures and reactivity of synthetic zinc(II) complexes resembling the active sites and reaction intermediates of aminopeptidases.","Chemical communications (Cambridge, England)","2004","","4","460","461","10.1039/b314089j","","","0.71073","MoKα","","0.0389","0.0344","","","0.0884","0.0909","","","","","","1.047","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7102475","11.6495","0.0011","10.1279","0.0011","18.6135","0.0015","90","","127.056","0.003","90","","1752.6","0.3","180","1","180","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Mn3 O14 -","- C7 H6 Mn3 O14 -","- C28 H24 Mn12 O56 -","4","1","","Wang, Zheming; Zhang, Bin; Fujiwara, Hideki; Kobayashi, Hayao; Kurmoo, Mohamedally","Mn3(HCOO)6: a 3D porous magnet of diamond framework with nodes of Mn-centered MnMn4 tetrahedron and guest-modulated ordering temperature.","Chemical communications (Cambridge, England)","2004","","4","416","417","10.1039/b314221c","","","0.71073","MoKα","","0.0413","0.0305","","","0.0811","0.0836","","","","","","1.101","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102476","11.7293","0.0013","10.1923","0.0011","18.7417","0.0018","90","","127.178","0.003","90","","1785.2","0.3","180","1","180","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Mn3 O12 -","- C6 H6 Mn3 O12 -","- C24 H24 Mn12 O48 -","4","1","","Wang, Zheming; Zhang, Bin; Fujiwara, Hideki; Kobayashi, Hayao; Kurmoo, Mohamedally","Mn3(HCOO)6: a 3D porous magnet of diamond framework with nodes of Mn-centered MnMn4 tetrahedron and guest-modulated ordering temperature.","Chemical communications (Cambridge, England)","2004","","4","416","417","10.1039/b314221c","","","0.71073","MoKα","","0.0546","0.0302","","","0.0581","0.0622","","","","","","0.963","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102477","11.688","0.002","10.2438","0.0017","18.753","0.004","90","","127.408","0.003","90","","1783.6","0.6","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Mn3 O14 -","- C9.01 Mn3 O14 -","- C36.04 Mn12 O56 -","4","1","","Wang, Zheming; Zhang, Bin; Fujiwara, Hideki; Kobayashi, Hayao; Kurmoo, Mohamedally","Mn3(HCOO)6: a 3D porous magnet of diamond framework with nodes of Mn-centered MnMn4 tetrahedron and guest-modulated ordering temperature.","Chemical communications (Cambridge, England)","2004","","4","416","417","10.1039/b314221c","","","0.71073","MoKα","","0.0869","0.0532","","","0.1356","0.1475","","","","","","1.046","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102478","11.7047","0.0018","10.0946","0.0013","18.556","0.003","90","","127.585","0.002","90","","1737.5","0.4","94","2","94","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Mn3 N O13 -","- C9 H13 Mn3 N O13 -","- C36 H52 Mn12 N4 O52 -","4","1","","Wang, Zheming; Zhang, Bin; Fujiwara, Hideki; Kobayashi, Hayao; Kurmoo, Mohamedally","Mn3(HCOO)6: a 3D porous magnet of diamond framework with nodes of Mn-centered MnMn4 tetrahedron and guest-modulated ordering temperature.","Chemical communications (Cambridge, England)","2004","","4","416","417","10.1039/b314221c","","","0.71073","MoKα","","0.0535","0.0312","","","0.0588","0.0624","","","","","","1.054","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102479","11.519","0.002","10.005","0.0015","18.685","0.004","90","","126.821","0.003","90","","1723.8","0.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Mn3 O13 -","- C10 H10 Mn3 O13 -","- C40 H40 Mn12 O52 -","4","1","","Wang, Zheming; Zhang, Bin; Fujiwara, Hideki; Kobayashi, Hayao; Kurmoo, Mohamedally","Mn3(HCOO)6: a 3D porous magnet of diamond framework with nodes of Mn-centered MnMn4 tetrahedron and guest-modulated ordering temperature.","Chemical communications (Cambridge, England)","2004","","4","416","417","10.1039/b314221c","","","0.71073","MoKα","","0.0556","0.037","","","0.0825","0.0882","","","","","","1.07","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102480","11.6548","0.0016","10.1617","0.0011","19.042","0.003","90","","126.58","0.002","90","","1811","0.4","82","2","82","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Mn3 O12 -","- C12 H12 Mn3 O12 -","- C48 H48 Mn12 O48 -","4","1","","Wang, Zheming; Zhang, Bin; Fujiwara, Hideki; Kobayashi, Hayao; Kurmoo, Mohamedally","Mn3(HCOO)6: a 3D porous magnet of diamond framework with nodes of Mn-centered MnMn4 tetrahedron and guest-modulated ordering temperature.","Chemical communications (Cambridge, England)","2004","","4","416","417","10.1039/b314221c","","","0.71073","MoKα","","0.0502","0.0298","","","0.059","0.062","","","","","","1.034","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102481","11.8341","0.0016","10.1956","0.0011","18.848","0.003","90","","127.905","0.002","90","","1794.4","0.4","82","2","82","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 I1.74 Mn3 O12 -","- C6 H6 I1.75 Mn3 O12 -","- C24 H24 I7 Mn12 O48 -","4","1","","Wang, Zheming; Zhang, Bin; Fujiwara, Hideki; Kobayashi, Hayao; Kurmoo, Mohamedally","Mn3(HCOO)6: a 3D porous magnet of diamond framework with nodes of Mn-centered MnMn4 tetrahedron and guest-modulated ordering temperature.","Chemical communications (Cambridge, England)","2004","","4","416","417","10.1039/b314221c","","","0.71073","MoKα","","0.0471","0.0329","","","0.085","0.0884","","","","","","1.1","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102482","28.132","0.005","12.615","0.002","24.746","0.004","90","","120.026","0.003","90","","7604","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 Co N8 O13 S -","- C28 H28 Co N8 O13 S -","- C224 H224 Co8 N64 O104 S8 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M","A new type of entanglement involving one-dimensional ribbons of rings catenated to a three-dimensional network in the nanoporous structure of [Co(bix)2(H2O)2](SO4).7H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene].","Chemical communications (Cambridge, England)","2004","","4","380","381","10.1039/b314322h","","","0.71073","MoKα","","0.1032","0.0683","","0.2185","0.1893","","","","1.049","","","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102483","9.27","0.003","11.819","0.004","20.639","0.008","90","","90","","90","","2261.3","1.4","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C16 H26 Co N4 O8 S -","- C14 H18 Co N4 O6 S -","- C56 H72 Co4 N16 O24 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M","A new type of entanglement involving one-dimensional ribbons of rings catenated to a three-dimensional network in the nanoporous structure of [Co(bix)2(H2O)2](SO4).7H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene].","Chemical communications (Cambridge, England)","2004","","4","380","381","10.1039/b314322h","","","0.71073","MoKα","","0.0863","0.0518","","0.1532","0.1384","","","","0.991","","","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102484","8.578","0.002","12.724","0.003","15.621","0.003","109.03","0.03","95.46","0.03","102.4","0.03","1548.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 I N8 O4 -","- C29 H37 I N8 O4 -","- C58 H74 I2 N16 O8 -","2","1","","Faraoni, Raffaella; Castellano, Ronald K; Gramlich, Volker; Diederich, François","H-Bonded complexes of adenine with Rebek imide receptors are stabilised by cation-pi interactions and destabilised by stacking with perfluoroaromatics.","Chemical communications (Cambridge, England)","2004","","4","370","371","10.1039/b314353h","","","0.71073","MoKα","","0.0752","0.0514","","0.1251","0.1093","","","","1.153","1.18","1.18","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102485","8.097","0.004","9.35","0.005","18.786","0.009","76.19","0.03","78.45","0.03","85.08","0.03","1352","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N8 O3 -","- C28 H32 N8 O3 -","- C56 H64 N16 O6 -","2","1","","Faraoni, Raffaella; Castellano, Ronald K; Gramlich, Volker; Diederich, François","H-Bonded complexes of adenine with Rebek imide receptors are stabilised by cation-pi interactions and destabilised by stacking with perfluoroaromatics.","Chemical communications (Cambridge, England)","2004","","4","370","371","10.1039/b314353h","","","1.54178","CuKα","","0.0706","0.0432","","0.1218","0.1065","","","","1.041","1.097","1.097","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102486","15.631","0.008","16.523","0.011","11.782","0.006","90","","114.05","0.04","90","","2778.9","2.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 Cl2 N2 O7 -","- C25 H34 Cl2 N2 O7 -","- C100 H136 Cl8 N8 O28 -","4","0.5","","Faraoni, Raffaella; Castellano, Ronald K; Gramlich, Volker; Diederich, François","H-Bonded complexes of adenine with Rebek imide receptors are stabilised by cation-pi interactions and destabilised by stacking with perfluoroaromatics.","Chemical communications (Cambridge, England)","2004","","4","370","371","10.1039/b314353h","","","1.54178","CuKα","","0.1538","0.0834","","0.2555","0.2082","","","","1.062","1.238","1.238","","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102487","11.492","0.002","14.182","0.003","16.649","0.003","90","","92.34","0.03","90","","2711.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl2 N4 Ti -","- C25 H36 Cl2 N4 Ti -","- C100 H144 Cl8 N16 Ti4 -","4","1","","Shukla, Piyush; Johnson, Jennifer A; Vidovic, Dragoslav; Cowley, Alan H; Abernethy, Colin D","Amine elimination synthesis of a titanium(IV) N-heterocyclic carbene complex with short intramolecular Cl...C carbene contacts.","Chemical communications (Cambridge, England)","2004","","4","360","361","10.1039/b314558a","","","0.71073","MoKα","","0.1367","0.0942","","","0.2235","0.25","","","","","","1.024","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102488","27.7755","0.0007","27.7755","0.0007","35.2084","0.0013","90","","90","","120","","23523.4","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","(Hydroxy)(nitrilotris(4,6-di-tert -butyl-o- phenolate))titanium(IV).1.33 tetrahydrofuran . 0.5 benzene","","","- C53.33 H80.67 N O5.33 Ti -","- C53.34 H80.68 N O5.33 Ti -","- C960.12 H1452.24 N18 O95.94 Ti18 -","18","1","","Ugrinova, Vesela; Ellis, Gregory A; Brown, Seth N","Remarkable thermodynamic stability toward hydrolysis of tripodal titanium alkoxides.","Chemical communications (Cambridge, England)","2004","","4","468","469","10.1039/b315092e","","","0.71073","MoKα","","0.0965","0.076","","0.2351","0.2117","","","","1.052","1.092","1.092","","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102489","15.7339","0.0007","16.6517","0.0008","20.8769","0.001","78.589","0.001","88.783","0.001","76.117","0.001","5203","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","mu-oxobis(nitrilotris(4,6-di-tert-butyl-o- phenolate))titanium(IV) tetrabenzene solvate","","","- C114 H156 N2 O7 Ti2 -","- C114 H156 N2 O7 Ti2 -","- C228 H312 N4 O14 Ti4 -","2","1","","Ugrinova, Vesela; Ellis, Gregory A; Brown, Seth N","Remarkable thermodynamic stability toward hydrolysis of tripodal titanium alkoxides.","Chemical communications (Cambridge, England)","2004","","4","468","469","10.1039/b315092e","","","0.71073","MoKα","","0.0906","0.0713","","0.2039","0.1932","","","","1.307","1.399","1.399","","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102490","13.7727","0.0007","11.7884","0.0006","26.8649","0.0013","90","","93.776","0.001","90","","4352.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Methoxy)(nitrilotris(4,6-di-tert -butyl-o- phenolate))titanium(IV)","","","- C46 H69 N O4 Ti -","- C46 H69 N O4 Ti -","- C184 H276 N4 O16 Ti4 -","4","1","","Ugrinova, Vesela; Ellis, Gregory A; Brown, Seth N","Remarkable thermodynamic stability toward hydrolysis of tripodal titanium alkoxides.","Chemical communications (Cambridge, England)","2004","","4","468","469","10.1039/b315092e","","","0.71073","MoKα","","0.0637","0.0604","","0.1283","0.1268","","","","1.17","1.19","1.19","","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102491","13.0253","0.0017","16.002","0.002","21.112","0.003","79.799","0.002","87.654","0.002","72.576","0.002","4131.8","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H51 Cl0 Cu3 Mo12 N11 O42 P -","- C62 H51 Cu3 Mo12 N11 O42 P -","- C124 H102 Cu6 Mo24 N22 O84 P2 -","2","1","","Knaust, Jacqueline M; Inman, Chad; Keller, Steven W","A host-guest complex between a metal-organic cyclotriveratrylene analog and a polyoxometalate: [Cu6(4,7-phenanthroline)8(MeCN)4]2PM12O40(M = Mo or W).","Chemical communications (Cambridge, England)","2004","","5","492","493","10.1039/b309255k","","","0.71073","MoKα","","0.1061","0.0533","","","0.0987","0.1164","","","","","","0.977","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102492","13.173","0.01","15.903","0.012","21.171","0.015","80.38","0.013","87.904","0.014","72.383","0.012","4167","5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H51 Cu3 N11 O42 P W12 -","- C62 H51 Cu3 N11 O42 P W12 -","- C124 H102 Cu6 N22 O84 P2 W24 -","2","1","","Knaust, Jacqueline M; Inman, Chad; Keller, Steven W","A host-guest complex between a metal-organic cyclotriveratrylene analog and a polyoxometalate: [Cu6(4,7-phenanthroline)8(MeCN)4]2PM12O40(M = Mo or W).","Chemical communications (Cambridge, England)","2004","","5","492","493","10.1039/b309255k","","","0.71073","MoKα","","0.1187","0.084","","","0.2132","0.2364","","","","","","1.012","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7102493","21.2105","0.0018","36.721","0.004","6.8606","0.0006","90","","90","","90","","5343.5","0.9","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C16 H8 O10 V2 -","- C16 H8 O10 V2 -","- C96 H48 O60 V12 -","6","0.375","","Barthelet, K; Marrot, J; Ferey, G; Riou, D","VIII(OH)[O2C-C6H4-CO2].(HO2C-C6H4-CO2H)x(DMF)y(H2O)z(or MIL-68), a new vanadocarboxylate with a large pore hybrid topology: reticular synthesis with infinite inorganic building blocks?","Chemical communications (Cambridge, England)","2004","","5","520","521","10.1039/b312589k","","","0.71073","MoKα","","0.1662","0.0975","","","0.2635","0.2867","","","","","","0.948","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102494","10.446","0.002","14.079","0.003","16.801","0.003","84.7","0.03","80.32","0.03","88.63","0.03","2425.2","0.8","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H76 Br2 Cu2 F12 N8 P2 -","- C112 Br2 Cu2 F12 N8 P2 -","- C112 Br2 Cu2 F12 N8 P2 -","1","0.5","","Schmittel, Michael; Kalsani, Venkateshwarlu; Fenske, Dieter; Wiegrefe, Andreas","Self-assembly of heteroleptic [2 x 2] and [2 x 3] nanogrids.","Chemical communications (Cambridge, England)","2004","","5","490","491","10.1039/b312807e","","","0.71073","MoKα","","0.1176","0.1084","","","0.3341","0.3407","","","","","","2.614","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102495","15.974","0.002","15.974","0.002","15.974","0.002","90","","90","","90","","4076.1","0.9","200","0.2","200","0.2","","","","","","","","6","I -4 3 m","I -4 2 3","217","Tert-butylammonium triisopropoxysilanethiolate","Tert-butylammonium triisopropoxysilanethiolate","","- C13 H33 N O3 S Si -","- C13 H33 N O3 S Si -","- C104 H264 N8 O24 S8 Si8 -","8","0.166667","","Becker, Barbara; Baranowska, Katarzyna; Chojnacki, Jaroslaw; Wojnowski, Wieslaw","Cubane-like structure of a silanethiol‒primary amine assembly‒a novel, unusual hydrogen bond pattern.","Chemical communications (Cambridge, England)","2004","","5","620","621","10.1039/b313576d","","","0.71073","MoKα","","0.0779","0.0592","","","0.1671","0.1773","","","","","","1.091","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102496","27.786","0.006","13.892","0.003","26.858","0.005","90","","115.74","0.03","90","","9339","4","200","0.2","200","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tert-butylammonium tri-tert-butoxysilanethiolate","Tert-butylammonium tri-tert-butoxysilanethiolate","","- C16 H39 N O3 S Si -","- C16 H39 N O3 S Si -","- C256 H624 N16 O48 S16 Si16 -","16","2","","Becker, Barbara; Baranowska, Katarzyna; Chojnacki, Jaroslaw; Wojnowski, Wieslaw","Cubane-like structure of a silanethiol‒primary amine assembly‒a novel, unusual hydrogen bond pattern.","Chemical communications (Cambridge, England)","2004","","5","620","621","10.1039/b313576d","","","0.71073","MoKα","","0.1063","0.0482","","","0.1078","0.1295","","","","","","1.007","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102497","21.709","0.004","15.326","0.003","30.588","0.006","90","","91.96","0.03","90","","10171","3","200","0.2","200","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-methyl-n-butylammonium tri-tert-butoxysilanethiolate","3-methyl-n-butylammonium tri-tert-butoxysilanethiolate","","- C75 H172 N4 O12 S4 Si4 -","- C75 H172 N4 O12 S4 Si4 -","- C300 H688 N16 O48 S16 Si16 -","4","1","","Becker, Barbara; Baranowska, Katarzyna; Chojnacki, Jaroslaw; Wojnowski, Wieslaw","Cubane-like structure of a silanethiol‒primary amine assembly‒a novel, unusual hydrogen bond pattern.","Chemical communications (Cambridge, England)","2004","","5","620","621","10.1039/b313576d","","","0.71073","MoKα","","0.1982","0.0561","","","0.1558","0.2036","","","","","","0.932","","","","has coordinates,has disorder","180126","2020-10-21","18:00:00",""
"7102498","11.977","0.002","15.047","0.003","21.319","0.004","90","","90","","90","","3842.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N8 O16 -","- C32 H38 N8 O16 -","- C128 H152 N32 O64 -","4","1","","Tosin, Manuela; Müller-Bunz, Helge; Murphy, Paul V","Synthesis and X-ray single crystal structure of a bivalent glycocluster.","Chemical communications (Cambridge, England)","2004","","5","494","495","10.1039/b313934d","","","0.71073","MoKα","","0.1456","0.0937","","","0.226","0.2455","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102499","14.7313","0.0012","13.7642","0.0011","21.372","0.002","90","","104.67","0.004","90","","4192.1","0.6","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H20 N8 O6 Zn -","- C18 H20 N8 O6 Zn -","- C144 H160 N64 O48 Zn8 -","8","1","","Mareque-Rivas, Juan C; Torres Martín de Rosales, Rafael; Parsons, Simon","The affinity of phosphates to zinc(II) complexes can be increased with hydrogen bond donors.","Chemical communications (Cambridge, England)","2004","","5","610","611","10.1039/b314616b","","","0.71073","MoKα","","0.0512","0.0475","","","0.1251","0.1275","","","","","","1.08","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102500","10.9348","0.0004","10.9348","0.0004","35.379","0.003","90","","90","","120","","3663.5","0.3","100","2","100","2","","","","","","","","5","P 65","P 65","170","","tert-butyl 2-[biphenyl-2-yl(phenyl)phosphorothioyl]benzoate","","- C29 H27 O2 P S -","- C29 H27 O2 P S -","- C174 H162 O12 P6 S6 -","6","1","","Korff, Christian; Helmchen, Gunter","Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P-C cross-coupling.","Chemical communications (Cambridge, England)","2004","","5","530","531","10.1039/b315009g","","","0.71073","MoKα","","0.0264","0.0258","","","0.0654","0.0658","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102501","10.9341","0.0003","10.9341","0.0003","35.377","0.002","90","","90","","120","","3662.8","0.3","373","2","373","2","","","","","","","","5","P 61","P 61","169","","tert-butyl 2-[biphenyl-2-yl(phenyl)phosphorothioyl]benzoate","","- C29 H27 O2 P S -","- C29 H27 O2 P S -","- C174 H162 O12 P6 S6 -","6","1","","Korff, Christian; Helmchen, Gunter","Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P-C cross-coupling.","Chemical communications (Cambridge, England)","2004","","5","530","531","10.1039/b315009g","","","0.71073","MoKα","","0.0279","0.0263","","","0.0601","0.0605","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102502","8.9795","0.0009","14.313","0.001","18.102","0.002","90","","90","","90","","2326.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-tert-butyl 2-(phenyl[2-trifluoromethyl)phenyl]phosphorothioyl)benzoat","","- C24 H22 F3 O2 P S -","- C24 H22 F3 O2 P S -","- C96 H88 F12 O8 P4 S4 -","4","1","","Korff, Christian; Helmchen, Gunter","Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P-C cross-coupling.","Chemical communications (Cambridge, England)","2004","","5","530","531","10.1039/b315009g","","","0.71073","MoKα","","0.055","0.052","","","0.1042","0.1052","","","","","","1.267","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102503","11.6349","0.0006","19.2561","0.0009","12.5695","0.0006","90","","97.174","0.001","90","","2794.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H102 B2 Li2 N6 P2 Si2 -","- C40 H102 B2 Li2 N6 P2 Si2 -","- C80 H204 B4 Li4 N12 P4 Si4 -","2","0.5","","Izod, Keith; McFarlane, William; Tyson, Brent V; Clegg, William; Harrington, Ross W","Synthesis and structural characterisation of a novel phosphine-borane-stabilised dicarbanion and an unusual bis(phosphine-borane).","Chemical communications (Cambridge, England)","2004","","5","570","571","10.1039/b315068b","","","0.71073","MoKα","","0.0725","0.0486","","","0.1186","0.1384","","","","","","1.059","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102504","14.1618","0.0011","6.9841","0.0005","16.5204","0.0012","90","","107.859","0.002","90","","1555.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H58 B2 P2 Si2 -","- C22 H58 B2 P2 Si2 -","- C44 H116 B4 P4 Si4 -","2","0.5","","Izod, Keith; McFarlane, William; Tyson, Brent V; Clegg, William; Harrington, Ross W","Synthesis and structural characterisation of a novel phosphine-borane-stabilised dicarbanion and an unusual bis(phosphine-borane).","Chemical communications (Cambridge, England)","2004","","5","570","571","10.1039/b315068b","","","0.71073","MoKα","","0.0557","0.0398","","","0.0964","0.1055","","","","","","1.093","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102505","7.174","0.001","9.678","0.001","28.887","0.001","90","","90","","90","","2005.6","0.4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl Fe N O2 Pt S -","- C18 H25 Cl Fe N O2 Pt S -","- C72 H100 Cl4 Fe4 N4 O8 Pt4 S4 -","4","1","","López, Concepción; Caubet, Amparo; Pérez, Sonia; Solans, Xavier; Font-Bardía, Mercè","Easy access to diastereomerically pure platinacycles.","Chemical communications (Cambridge, England)","2004","","5","540","541","10.1039/b315157c","","","0.71069","MoKα","","0.0388","0.0371","","0.0876","0.0868","","","","1.092","1.109","1.109","","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102506","8.295","0.001","15.365","0.001","12.826","0.001","90","","102.37","0.02","90","","1596.8","0.3","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Cl2 N4 O -","- C14 H28 Cl2 N4 O -","- C56 H112 Cl8 N16 O4 -","4","1","","Boschetti, Frédéric; Denat, Franck; Espinosa, Enrique; Lagrange, Jean-Marie; Guilard, Roger","A powerful route to C-functionalised tetraazamacrocycles.","Chemical communications (Cambridge, England)","2004","","5","588","589","10.1039/b315285e","","","0.71069","MoKα","","0.0818","0.0422","","","0.0845","0.0969","","","","","","0.98","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102507","8.415","0.005","10.176","0.005","12.718","0.005","90","","91.284","0.005","90","","1088.8","0.9","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H32 N8 O15 -","- C10 H32 N8 O15 -","- C20 H64 N16 O30 -","2","1","","Boschetti, Frédéric; Denat, Franck; Espinosa, Enrique; Lagrange, Jean-Marie; Guilard, Roger","A powerful route to C-functionalised tetraazamacrocycles.","Chemical communications (Cambridge, England)","2004","","5","588","589","10.1039/b315285e","","","0.71069","MoKα","","0.0585","0.0458","","","0.1021","0.1089","","","","","","1.056","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102508","6.0476","0.0007","11.4445","0.0007","19.263","0.003","90","","90","","90","","1333.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Armstrong, Alan; Scutt, James N","Total synthesis of (+)-belactosin A.","Chemical communications (Cambridge, England)","2004","","5","510","511","10.1039/b316142k","","","1.54178","CuKα","","0.0617","0.0509","","","0.1389","0.1479","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102509","6.2187","0.0007","13.8638","0.0017","23.908","0.003","105.133","0.006","96.855","0.006","96.7","0.006","1951.9","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 N4 O2 S4 -","- C46 H36 N4 O2 S4 -","- C92 H72 N8 O4 S8 -","2","1","","Wang, Changsheng; Batsanov, Andrei S; Bryce, Martin R","Electrochromic tetrathiafulvalene derivatives functionalised with 2,5-diaryl-1,3,4-oxadiazole chromophores.","Chemical communications (Cambridge, England)","2004","","5","578","579","10.1039/b316243p","","","0.71073","MoKα","","0.1611","0.0539","","","0.0905","0.1112","","","","","","0.738","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102510","8.8891","0.0014","10.3238","0.0017","14.178","0.002","83.299","0.003","88.383","0.003","67.516","0.002","1193.8","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H50 F40 N10 Sc10 -","- C10 H50 F40 N10 Sc10 -","- C10 H50 F40 N10 Sc10 -","1","0.5","","Stephens, Nicholas F; Slawin, Alexandra M Z; Lightfoot, Philip","A novel scandium fluoride, [C2N2H10]0.5[ScF4], with an unprecedented tungsten bronze-related layer structure.","Chemical communications (Cambridge, England)","2004","","5","614","615","10.1039/b316312a","","","0.71073","MoKα","","0.04","0.035","","","0.1048","0.1218","","","","","","1.117","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102511","23.287","0.003","23.287","0.003","24.155","0.004","90","","90","","90","","13098","3","173","2","173","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C45 H90 Cl3 Co3 S3 Si3 -","- C45.06 H90.06 Cl3 Co3 S3 Si3 -","- C360.48 H720.48 Cl24 Co24 S24 Si24 -","8","1","","Sydora, Orson L; Wolczanski, Peter T; Lobkovsky, Emil B; Rumberger, Evan; Hendrickson, David N","First row wheels, [((t)Bu(3)SiS)MX](12)(M = Co, X = Cl; M = Ni, X = Br), are common amongst both simpler and more complex aggregates.","Chemical communications (Cambridge, England)","2004","","6","650","651","10.1039/b311212h","","","0.71073","MoKα","","0.0717","0.0533","","","0.1254","0.1337","","","","","","1.013","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102512","26.128","0.016","26.128","0.016","24.69","0.02","90","","90","","120","","14597","18","173","2","173","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C24 H54 Br2 Ni2 S2 Si2 -","- C24 H54 Br2 Ni2 S2 Si2 -","- C288 H648 Br24 Ni24 S24 Si24 -","12","1","","Sydora, Orson L; Wolczanski, Peter T; Lobkovsky, Emil B; Rumberger, Evan; Hendrickson, David N","First row wheels, [((t)Bu(3)SiS)MX](12)(M = Co, X = Cl; M = Ni, X = Br), are common amongst both simpler and more complex aggregates.","Chemical communications (Cambridge, England)","2004","","6","650","651","10.1039/b311212h","","","0.71073","MoKα","","0.2261","0.1491","","","0.3646","0.4001","","","","","","1.128","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102513","14.193","0.008","16.493","0.01","36.54","0.02","90","","98.564","0.011","90","","8459","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H149 Ni5 S6 Si5 -","- C66 H149 Ni5 S6 Si5 -","- C264 H596 Ni20 S24 Si20 -","4","1","","Sydora, Orson L; Wolczanski, Peter T; Lobkovsky, Emil B; Rumberger, Evan; Hendrickson, David N","First row wheels, [((t)Bu(3)SiS)MX](12)(M = Co, X = Cl; M = Ni, X = Br), are common amongst both simpler and more complex aggregates.","Chemical communications (Cambridge, England)","2004","","6","650","651","10.1039/b311212h","","","0.71073","MoKα","","0.171","0.117","","","0.2432","0.2647","","","","","","1.102","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102514","15.724","0.002","10.305","0.0006","15.826","0.002","90","","98.21","0.01","90","","2538","1.7","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 P S Zr -","- C31 H27 P S Zr -","- C124 H108 P4 S4 Zr4 -","4","1","","Ortega, Esteban; Pirio, Nadine; Meunier, Philippe; Donnadieu, Bruno","Isolation, dynamic NMR study and X-ray characterisation of a bis sulfonium zirconocene-ate dimer.","Chemical communications (Cambridge, England)","2004","","6","678","679","10.1039/b312954c","","","0.71073","MoKα","","0.0457","0.0332","","","0.0823","0.0875","","","","","","1.043","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102515","20.303","0.004","12.647","0.002","29.649","0.01","90","","101.41","0.02","90","","7463","3","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","(dl-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra- azacyclotetradecane N,N',N'',N''' )-(9,10-dioxophenanthrene-O,O')- cobalt(ii) hexafluorophosphate dichloromethane solvate","(dl-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-azacyclotetradecane N,N',N'',N''' )-(9,10-dioxophenanthrene-O,O')-cobalt(ii) hexafluorophosphate dichloromethane solvate","","- C31.5 H44 Cl3 Co D3 F6 N4 O2 P -","- C31 H46 Cl3 Co F6 N4 O2 P -","- C248 H368 Cl24 Co8 F48 N32 O16 P8 -","8","1","","Cador, Olivier; Dei, Andrea; Sangregorio, Claudio","Isotopic effects may induce cooperativity in valence tautomeric transition.","Chemical communications (Cambridge, England)","2004","","6","652","653","10.1039/b313049e","","","0.71073","MoKα","","0.2067","0.0785","","","0.2148","0.2788","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102516","21.411","0.004","12.431","0.002","21.874","0.004","90","","92.147","0.004","90","","5817.8","1.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C94 H108 Cl4 Co2 N18 O38 S6 -","- C94 H104 Cl4 Co2 N18 O38 S6 -","- C188 H208 Cl8 Co4 N36 O76 S12 -","2","1","","Harding, Lindsay P; Jeffery, John C; Riis-Johannessen, T; Rice, Craig R; Zeng, Zuotao","Anion control of ligand self-recognition in a triple helical array.","Chemical communications (Cambridge, England)","2004","","6","654","655","10.1039/b313218h","","","0.71073","MoKα","","0.1277","0.0641","","","0.1585","0.1902","","","","","","0.987","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102517","12.368","0.005","12.739","0.006","19.836","0.008","92.953","0.014","93.284","0.013","118.52","0.015","2730","2","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C94 H108 Cl2 Co2 N20 O36 S6 -","- C94 H104 Cl2 Co2 N20 O36 S6 -","- C94 H104 Cl2 Co2 N20 O36 S6 -","1","1","","Harding, Lindsay P; Jeffery, John C; Riis-Johannessen, T; Rice, Craig R; Zeng, Zuotao","Anion control of ligand self-recognition in a triple helical array.","Chemical communications (Cambridge, England)","2004","","6","654","655","10.1039/b313218h","","","0.71073","MoKα","","0.1574","0.0569","","","0.1017","0.1298","","","","","","0.846","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102518","11.4079","0.0008","12.7469","0.001","15.7543","0.001","86.738","0.01","71.983","0.009","84.506","0.009","2167.7","0.3","473","2","473","2","","","","","","","","6","P -1","-P 1","2","N,N'-dimethyl-4,4'-bipyridinium and cadmium-thiocyanate","","","- C56 H46 Cd7 N26 O2 S20 -","- C56 H46 Cd7 N26 O2 S20 -","- C56 H46 Cd7 N26 O2 S20 -","1","0.5","","Yu, Zhi; Yu, Kui; Lai, Longli; Udachin, Kostantin A; Zhu, Haoguo; Tao, Jianqin; You, Xiaozeng; Ströbele, Markus; Meyer, H-Jürgen; Ripmeester, John A","Novel hybrid hetero-sandwich architectures via stoichiometric control of host-guest self-organization.","Chemical communications (Cambridge, England)","2004","","6","648","649","10.1039/b313846a","","","0.7107","MoKα","","0.0326","0.0256","","","0.0683","0.0768","","","","","","1.083","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102519","11.7284","0.0006","13.294","0.0007","13.2404","0.0007","90","","93.785","0.001","90","","2059.91","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N'-dimethyl-4,4'-bipyridinium cadmium-thiocyanate","","","- C16 H14 Cd N6 S4 -","- C16 H14 Cd N6 S4 -","- C64 H56 Cd4 N24 S16 -","4","1","","Yu, Zhi; Yu, Kui; Lai, Longli; Udachin, Kostantin A; Zhu, Haoguo; Tao, Jianqin; You, Xiaozeng; Ströbele, Markus; Meyer, H-Jürgen; Ripmeester, John A","Novel hybrid hetero-sandwich architectures via stoichiometric control of host-guest self-organization.","Chemical communications (Cambridge, England)","2004","","6","648","649","10.1039/b313846a","","","0.7107","MoKα","","0.0459","0.043","","","0.126","0.1283","","","","","","1.064","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102520","12.5628","0.0015","10.3135","0.0015","17.2307","0.0018","90","","92.159","0.007","90","","2230.9","0.5","150","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 Cl2 N5 Pd -","- C18 H31 Cl2 N5 Pd -","- C72 H124 Cl8 N20 Pd4 -","4","1","","Douthwaite, Richard E; Houghton, Jennifer; Kariuki, Benson M","The synthesis of a di-N-heterocyclic carbene-amido complex of palladium(II).","Chemical communications (Cambridge, England)","2004","","6","698","699","10.1039/b314814a","","","1.54178","CuKα","","0.0905","0.0636","","","0.1623","0.182","","","","","","1.084","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102521","19.466","0.004","19.466","0.004","18.53","0.004","90","","90","","90","","7021","3","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C150 H115 O25 Y5 -","- C150 H108 O25 Y5 -","- C300 H216 O50 Y10 -","2","0.25","","Roesky, Peter W; Canseco-Melchor, Graciela; Zulys, Agustino","A pentanuclear yttrium hydroxo cluster as an oxidation catalyst. Catalytic oxidation of aldehydes in the presence of air.","Chemical communications (Cambridge, England)","2004","","6","738","739","10.1039/b315218a","","","0.71073","MoKα","","0.1177","0.0643","","","0.1687","0.1867","","","","","","0.849","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102522","22.522","0.003","22.522","0.003","33.6","0.004","90","","90","","90","","17043","3","150","2","150","2","","","","","","","","8","I 41/a m d :2","-I 4bd 2","141","2,3,4,5-tetra(4-pyridyl)thiophene copper tetrafluoroborate","2,3,4,5-tetra(4-pyridyl)thiophene copper tetrafluoroborate","","- C30 H23.5 B Cl9 Cu F4 N5.5 S -","- C24 H16 B0.75 Cu F3.01 N4 S -","- C384 H256 B12 Cu16 F48.16 N64 S16 -","16","0.5","","Dolomanov, Oleg V; Cordes, David B; Champness, Neil R; Blake, Alexander J; Hanton, Lyall R; Jameson, Geoffrey B; Schröder, Martin; Wilson, Claire","A design strategy for four-connected coordination frameworks.","Chemical communications (Cambridge, England)","2004","","6","642","643","10.1039/b315243j","","","0.71073","MoKα","","0.1116","0.0662","","","0.1593","0.1745","","","","","","0.859","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7102523","22.543","0.0005","22.543","0.0005","35.5167","0.0012","90","","90","","90","","18049.1","0.8","150","2","150","2","","","","","","","","8","I 41/a m d :2","-I 4bd 2","141","2,3,4,5-tetra(4-pyridyl)thiophene silver tetrafluoroborate","2,3,4,5-tetra(4-pyridyl)thiophene silver tetrafluoroborate","","- C29 H21.5 Ag B Cl12 F4 N4.5 S -","- C24 H16 Ag B0.5 F2.25 N4 S -","- C384 H256 Ag16 B8 F36 N64 S16 -","16","0.5","","Dolomanov, Oleg V; Cordes, David B; Champness, Neil R; Blake, Alexander J; Hanton, Lyall R; Jameson, Geoffrey B; Schröder, Martin; Wilson, Claire","A design strategy for four-connected coordination frameworks.","Chemical communications (Cambridge, England)","2004","","6","642","643","10.1039/b315243j","","","0.71073","MoKα","","0.0604","0.0466","","","0.1504","0.1618","","","","","","1.191","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7102524","22.636","0.005","22.636","0.005","35.393","0.005","90","","90","","90","","18135","6","163","2","163","2","","","","","","","","8","I 41/a m d :2","-I 4bd 2","141","2,3,4,5-tetra(4-pyridyl)thiophene silver tetrafluoroborate","2,3,4,5-tetra(4-pyridyl)thiophene silver tetrafluoroborate","","- C31 H27 Ag B Cl2 F4 N7 S -","- C24 H16 Ag B0.5 F2.01 N4 S -","- C384 H256 Ag16 B8 F32.16 N64 S16 -","16","0.5","","Dolomanov, Oleg V; Cordes, David B; Champness, Neil R; Blake, Alexander J; Hanton, Lyall R; Jameson, Geoffrey B; Schröder, Martin; Wilson, Claire","A design strategy for four-connected coordination frameworks.","Chemical communications (Cambridge, England)","2004","","6","642","643","10.1039/b315243j","","","0.71069","MoKα","","0.0698","0.0418","","","0.1199","0.1267","","","","","","0.962","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7102525","22.975","0.005","22.975","0.005","34.298","0.007","90","","90","","90","","18104","11","150","2","150","2","","","","","","","","8","I 41/a m d :2","-I 4bd 2","141","2,3,4,5-tetra(4-pyridyl)thiophene silver hexafluoroantimonate","2,3,4,5-tetra(4-pyridyl)thiophene silver hexafluoroantimonate","","- C27 H20 Ag Cl3 F6 N5 S Sb -","- C24 H16 Ag F6.02 N4 S Sb -","- C384 H256 Ag16 F96.32 N64 S16 Sb16 -","16","0.5","","Dolomanov, Oleg V; Cordes, David B; Champness, Neil R; Blake, Alexander J; Hanton, Lyall R; Jameson, Geoffrey B; Schröder, Martin; Wilson, Claire","A design strategy for four-connected coordination frameworks.","Chemical communications (Cambridge, England)","2004","","6","642","643","10.1039/b315243j","","","0.71073","MoKα","","0.1747","0.0665","","","0.1748","0.2063","","","","","","0.746","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7102526","23.166","0.005","23.166","0.005","34.931","0.005","90","","90","","90","","18746","6","163","2","163","2","","","","","","","","8","I 41/a m d :2","-I 4bd 2","141","2,3,4,5-tetra(4-pyridyl)thiophene silver triflate","2,3,4,5-tetra(4-pyridyl)thiophene silver triflate","","- C30 H24 Ag Cl2 F3 N6 O3 S2 -","- C24.5 H16 Ag N4 O3 S1.5 -","- C392 H256 Ag16 N64 O48 S24 -","16","0.5","","Dolomanov, Oleg V; Cordes, David B; Champness, Neil R; Blake, Alexander J; Hanton, Lyall R; Jameson, Geoffrey B; Schröder, Martin; Wilson, Claire","A design strategy for four-connected coordination frameworks.","Chemical communications (Cambridge, England)","2004","","6","642","643","10.1039/b315243j","","","0.71069","MoKα","","0.0815","0.0589","","","0.18","0.1908","","","","","","1.082","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7102527","22.963","0.005","22.963","0.005","34.546","0.014","90","","90","","90","","18216","9","163","2","163","2","","","","","","","","8","I 41/a m d :2","-I 4bd 2","141","2,3,4,5-tetra(4-pyridyl)thiophene silver hexafluorophosphate","2,3,4,5-tetra(4-pyridyl)thiophene silver hexafluorophosphate","","- C27 H21 Ag Cl2 F6 N5 P S -","- C24 H16 Ag F4.5 N4 P0.75 S -","- C384 H256 Ag16 F72 N64 P12 S16 -","16","0.5","","Dolomanov, Oleg V; Cordes, David B; Champness, Neil R; Blake, Alexander J; Hanton, Lyall R; Jameson, Geoffrey B; Schröder, Martin; Wilson, Claire","A design strategy for four-connected coordination frameworks.","Chemical communications (Cambridge, England)","2004","","6","642","643","10.1039/b315243j","","","0.71073","MoKα","","0.0838","0.0723","","","0.2056","0.2175","","","","","","1.15","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7102528","15.1152","0.0003","25.5074","0.0005","18.7706","0.0004","90","","95.3476","0.001","90","","7205.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Co4 N16 Na2 O28 -","- C60 H36 Co4 N16 Na2 O28.0004 -","- C240 H144 Co16 N64 Na8 O112.002 -","4","0.5","","Wang, Chuan-Feng; Gao, En-Qing; He, Zheng; Yan, Chun-Hua","A novel mixed-valence complex containing Co(II)(2)Co(III)(2) molecular squares with 4,5-imidazoledicarboxylate bridges.","Chemical communications (Cambridge, England)","2004","","6","720","721","10.1039/b315357f","","","0.71073","MoKα","","0.1064","0.0582","","","0.1701","0.194","","","","","","0.964","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102529","7.3015","0.0001","18.5002","0.0003","31.4241","0.0005","90","","90","","90","","4244.74","0.11","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Triphenyl-phosphabarrelen (4a)","Triphenyl-phosphabarrelen (4a)","","- C29 H21 P -","- C29 H21 P -","- C232 H168 P8 -","8","1","","Breit, Bernhard; Fuchs, Evelyn","Phosphabarrelene-rhodium complexes as highly active catalysts for isomerization free hydroformylation of internal alkenes.","Chemical communications (Cambridge, England)","2004","","6","694","695","10.1039/b315709a","","","0.71073","MoKα","","0.082","0.044","","","0.103","0.116","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102530","14.8015","0.0001","29.1555","0.0003","17.1807","0.0002","90","","99.33","0.001","90","","7316.16","0.12","110","1","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C121 H201 Cl3 O61 P2 -","- C121 H191 Cl3 O59.5 P2 -","- C242 H382 Cl6 O119 P4 -","2","1","","Engeldinger, Eric; Poorters, Laurent; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","Diastereospecific synthesis of phosphinidene-capped cyclodextrins leading to ""introverted"" ligands.","Chemical communications (Cambridge, England)","2004","","6","634","635","10.1039/b315802k","","","0.71073","MoKα","","0.1333","0.0829","","","0.2105","0.2477","","","","","","1.027","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102531","12.802","0.002","8.1247","0.0015","22.816","0.004","90","","103.491","0.005","90","","2307.8","0.7","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H15 N5 -","- C29 H15 N5 -","- C116 H60 N20 -","4","1","","Richardson, Christopher; Reed, Christopher A","Exploration of the pentacyano-cyclo-pentadienide ion, C(5)(CN)(5)(-), as a weakly coordinating anion and potential superacid conjugate base. Silylation and protonation.","Chemical communications (Cambridge, England)","2004","","6","706","707","10.1039/b316122f","","","0.71073","MoKα","","0.07","0.0406","","","0.0901","0.1086","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102532","23.68","0.004","14.653","0.002","20.072","0.003","90","","90","","90","","6964.6","1.8","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H15 N5 Si -","- C16 H15 N5 Si -","- C256 H240 N80 Si16 -","16","1","","Richardson, Christopher; Reed, Christopher A","Exploration of the pentacyano-cyclo-pentadienide ion, C(5)(CN)(5)(-), as a weakly coordinating anion and potential superacid conjugate base. Silylation and protonation.","Chemical communications (Cambridge, England)","2004","","6","706","707","10.1039/b316122f","","","0.71073","MoKα","","0.0547","0.0452","","","0.117","0.1288","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102533","7.7909","0.0015","10.198","0.002","13.425","0.003","75.481","0.003","74.317","0.003","84.171","0.004","993.5","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N5 Si -","- C19 H21 N5 Si -","- C38 H42 N10 Si2 -","2","1","","Richardson, Christopher; Reed, Christopher A","Exploration of the pentacyano-cyclo-pentadienide ion, C(5)(CN)(5)(-), as a weakly coordinating anion and potential superacid conjugate base. Silylation and protonation.","Chemical communications (Cambridge, England)","2004","","6","706","707","10.1039/b316122f","","","0.71073","MoKα","","0.0509","0.0407","","","0.1053","0.1167","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102534","12.6762","0.0009","17.3686","0.0011","21.368","0.0018","90","","95.453","0.009","90","","4683.3","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(hexakis-(N-(carboxymethyl)-N-(2-carboxyphenyl)glycinato)- tris(methanol)-nonacopper(ii)) hexamehanol solvate","[hexakis-{N-(carboxymethyl)-N- (2-carboxyphenyl)glycinato}-tris(methanol)-nonacopper(II)] hexamehanol solvate","","- C78 H96 Cu9 N6 O48 -","- C78 H66 Cu9 N6 O48 -","- C156 H132 Cu18 N12 O96 -","2","0.5","","Murugesu, Muralee; King, Philippa; Clérac, Rodolphe; Anson, Christopher E; Powell, Annie K","A novel nonanuclear CuII carboxylate-bridged cluster aggregate with an S= 7/2 ground spin state.","Chemical communications (Cambridge, England)","2004","","6","740","741","10.1039/b316233h","","","0.71073","MoKα","","0.0862","0.0521","","","0.1189","0.1293","","","","","","0.936","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102535","13.256","0.004","13.735","0.004","17.298","0.005","94.48","0.01","94.62","0.01","101.6","0.01","3060.7","1.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H90 B3 N O1.5 -","- C71 H87 B3 N O -","- C142 H174 B6 N2 O2 -","2","1","","Entwistle, Christopher D; Batsanov, Andrei S; Howard, Judith A K; Fox, Mark A; Marder, Todd B","Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine.","Chemical communications (Cambridge, England)","2004","","6","702","703","10.1039/b316250h","","","0.71073","MoKα","","0.1141","0.0624","","","0.1583","0.1752","","","","","","0.948","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102536","7.4731","0.0002","12.5163","0.0003","16.2952","0.0005","90","","100.565","0.001","90","","1498.34","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cis-1,5-dichloro-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","Cis-1,5-dichloro-9,10-diethynyl-9,10-dihydroxy-9,10-dihydroanthracene","","- C18 H10 Cl2 O2 -","- C18 H10 Cl2 O2 -","- C72 H40 Cl8 O8 -","4","1","","Mondal, Raju; Howard, Judith A K; Banerjee, Rahul; Desiraju, Gautam R","Gauche and staggered forms of diethylamine in solvates of 1,5-dichloro-cis-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol. A case of conformational pseudopolymorphism?","Chemical communications (Cambridge, England)","2004","","6","644","645","10.1039/b316270b","","","0.71073","MoKα","","0.0848","0.0539","","","0.1172","0.1282","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102537","8.1794","0.0002","13.6483","0.0004","18.0272","0.0005","90","","96.984","0.001","90","","1997.53","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cis-1,5-dichloro-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","Cis-1,5-dichloro-9,10-diethynyl-9,10-dihydroxy-9,10-dihydroanthracene","","- C22 H21 Cl2 N O2 -","- C22 H21 Cl2 N O2 -","- C88 H84 Cl8 N4 O8 -","4","1","","Mondal, Raju; Howard, Judith A K; Banerjee, Rahul; Desiraju, Gautam R","Gauche and staggered forms of diethylamine in solvates of 1,5-dichloro-cis-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol. A case of conformational pseudopolymorphism?","Chemical communications (Cambridge, England)","2004","","6","644","645","10.1039/b316270b","","","0.71073","MoKα","","0.0572","0.046","","","0.1063","0.1105","","","","","","1.105","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102538","14.955","0.003","13.659","0.003","19.433","0.004","90","","90","","90","","3969.4","1.4","95","2","95","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cis-1,5-dichloro-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","Cis-1,5-dichloro-9,10-diethynyl-9,10-dihydroxy-9,10-dihydroanthracene","","- C22 H21 Cl2 N O2 -","- C22 H21 Cl2 N O2 -","- C176 H168 Cl16 N8 O16 -","8","1","","Mondal, Raju; Howard, Judith A K; Banerjee, Rahul; Desiraju, Gautam R","Gauche and staggered forms of diethylamine in solvates of 1,5-dichloro-cis-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol. A case of conformational pseudopolymorphism?","Chemical communications (Cambridge, England)","2004","","6","644","645","10.1039/b316270b","","","0.71073","MoKα","","0.0923","0.0656","","","0.123","0.1315","","","","","","1.161","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102539","8.106","0.003","13.166","0.003","25.16","0.004","90","","90","","90","","2685.2","1.2","293","2","293","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C26 H26 Cu2 N2 O8 -","- C26 H26 Cu2 N2 O8 -","- C104 H104 Cu8 N8 O32 -","4","1","","Mukherjee, Arindam; Saha, Manas K; Nethaji, Munirathinam; Chakravarty, Akhil R","Helical supramolecular host with aquapores anchoring alternate molecules of helical water chains.","Chemical communications (Cambridge, England)","2004","","6","716","717","10.1039/b316275c","","","0.71073","MoKα","","0.0931","0.0546","","","0.1399","0.1669","","","","","","0.978","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102540","9.915","0.0002","20.6148","0.0004","18.9685","0.0005","90","","104.045","0.005","90","","3761.2","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 N4 Si2 Ti -","- C36 H54 N4 Si2 Ti -","- C144 H216 N16 Si8 Ti4 -","4","1","","Ward, Benjamin D; Maisse-Francois, Aline; Mountford, Philip; Gade, Lutz H","Synthesis and structural characterization of an azatitanacyclobutene: the key intermediate in the catalytic anti-Markovnikov addition of primary amines to [small alpha]-alkynes.","Chemical communications (Cambridge, England)","2004","","6","704","705","10.1039/b316383k","","","0.71073","Mo-Kα","","0.117","0.054","","0.189","","0.071","","","1.187","","","1.262","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102541","7.3017","0.0007","19.2542","0.0018","11.094","0.0011","90","","90","","90","","1559.7","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","1,5,6-tricarbomethoxy-3-methoxyazulene","1,5,6-tricarbomethoxy-3-methoxyazulene","","- C17 H16 O7 -","- C17 H16 O7 -","- C68 H64 O28 -","4","1","","Higham, Lee J; Kelly, P Gabriel; Corr, David M; Müller-Bunz, Helge; Walker, Brian J; Gilheany, Declan G","A novel azulene synthesis from the Ramirez ylide involving two different modes of its reaction with activated alkynes.","Chemical communications (Cambridge, England)","2004","","6","684","685","10.1039/b316759c","","x-ray","0.71073","MoKα","","0.0418","0.0376","","","0.0887","0.0907","","","","","","1.135","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102542","15.6763","0.001","10.2423","0.0006","16.7755","0.001","90","","102.249","0.001","90","","2632.2","0.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H9.5 Mn N2.5 O4.5 -","- C13.5 H9.5 Mn N2.5 O4.5 -","- C108 H76 Mn8 N20 O36 -","8","1","","Tynan, Eithne; Jensen, Paul; Kruger, Paul E; Lees, Anthea C","Solvent templated synthesis of metal-organic frameworks: structural characterisation and properties of the 3D network isomers [[Mn(dcbp)].1/2DMF]n and [[Mn(dcbp)][middle dot]2H2O](n).","Chemical communications (Cambridge, England)","2004","","7","776","777","10.1039/b315483a","","","0.71073","MoKα","","0.0522","0.0478","","","0.0935","0.0952","","","","","","1.267","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102543","11.9505","0.0009","14.5679","0.0011","9.2494","0.0007","90","","127.791","0.001","90","","1272.51","0.17","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Mn N2 O6 -","- C12 H6 Mn N2 O6 -","- C48 H24 Mn4 N8 O24 -","4","0.5","","Tynan, Eithne; Jensen, Paul; Kruger, Paul E; Lees, Anthea C","Solvent templated synthesis of metal-organic frameworks: structural characterisation and properties of the 3D network isomers [[Mn(dcbp)].1/2DMF]n and [[Mn(dcbp)][middle dot]2H2O](n).","Chemical communications (Cambridge, England)","2004","","7","776","777","10.1039/b315483a","","","0.71073","MoKα","","0.0415","0.0392","","","0.0954","0.0966","","","","","","1.219","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102544","12.1736","0.001","14.6323","0.0012","9.0078","0.0008","90","","131.21","0.001","90","","1207.09","0.18","343","2","343","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Mn N2 O4 -","- C12 H6 Mn N2 O4 -","- C48 H24 Mn4 N8 O16 -","4","0.5","","Tynan, Eithne; Jensen, Paul; Kruger, Paul E; Lees, Anthea C","Solvent templated synthesis of metal-organic frameworks: structural characterisation and properties of the 3D network isomers [[Mn(dcbp)].1/2DMF]n and [[Mn(dcbp)][middle dot]2H2O](n).","Chemical communications (Cambridge, England)","2004","","7","776","777","10.1039/b315483a","","","0.71073","MoKα","","0.0438","0.0381","","","0.0852","0.0876","","","","","","1.146","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102545","8.8311","0.0003","12.111","0.0004","18.4635","0.0005","84.647","0.001","84.485","0.001","75.017","0.001","1893.95","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H62 Ir N4 -","- C40 H62 Ir N4 -","- C80 H124 Ir2 N8 -","2","1","","Bernskoetter, Wesley H; Lobkovsky, Emil; Chirik, Paul J","Synthesis of a beta-diiminate iridium tetrahydride for arene C-H bond activation.","Chemical communications (Cambridge, England)","2004","","7","764","765","10.1039/b315817a","","","0.71073","MoKα","","0.0597","0.0394","","","0.0668","0.0721","","","","","","1.059","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102546","12.6062","0.0007","15.9992","0.0009","14.2536","0.0008","90","","105.309","0.002","90","","2772.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H45 Ir N2 -","- C29 H45 Ir N2 -","- C116 H180 Ir4 N8 -","4","1","","Bernskoetter, Wesley H; Lobkovsky, Emil; Chirik, Paul J","Synthesis of a beta-diiminate iridium tetrahydride for arene C-H bond activation.","Chemical communications (Cambridge, England)","2004","","7","764","765","10.1039/b315817a","","","0.71073","MoKα","","0.061","0.0332","","","0.0587","0.0652","","","","","","1.046","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102547","7.224","0.003","14.064","0.006","32.806","0.011","90","","90","","90","","3333","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N O3 S -","- C15.993 H22.993 N O2.998 S0.999 -","- C127.944 H183.944 N8 O23.984 S7.992 -","8","1","","Armstrong, Alan; Cumming, Graham R; Pike, Kurt","Aminative rearrangement of 2-alkoxy-3,4-dihydro-2H-pyrans: a novel stereocontrolled route to substituted pyrrolidines.","Chemical communications (Cambridge, England)","2004","","7","812","813","10.1039/b316554j","","","1.54178","CuKα","","0.0937","0.072","","","0.1668","0.1755","","","","","","1.346","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102548","8.4581","0.0005","8.3703","0.0004","26.9075","0.0019","90","","98.62","0.01","90","","1883.4","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Br4 Cu N2 O4 Pb -","- C8 H18 Br4 Cu N2 O4 Pb -","- C32 H72 Br16 Cu4 N8 O16 Pb4 -","4","1","","Mercier, Nicolas; Riou, Amédée","An organic-inorganic hybrid perovskite containing copper paddle-wheel clusters linking perovskite layers : [Cu(O2C-(CH2)3-NH3)2]PbBr4.","Chemical communications (Cambridge, England)","2004","","7","844","845","10.1039/b316847f","","","0.71073","MoKα","","","0.0303","","","","0.0685","","","","","","0.892","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102549","8.577","0.005","8.972","0.006","10.503","0.003","100.6","0.04","105.73","0.03","111.38","0.04","687.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 Br4 Cu2 N4 O8 -","- C16 H36 Br4 Cu2 N4 O8 -","- C16 H36 Br4 Cu2 N4 O8 -","1","0.5","","Mercier, Nicolas; Riou, Amédée","An organic-inorganic hybrid perovskite containing copper paddle-wheel clusters linking perovskite layers : [Cu(O2C-(CH2)3-NH3)2]PbBr4.","Chemical communications (Cambridge, England)","2004","","7","844","845","10.1039/b316847f","","","0.71073","MoKα","","0.051","0.0321","","","0.0814","0.0875","","","","","","1.097","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102550","12.7237","0.0003","8.2796","0.0002","10.8451","0.0002","90","","99.5173","0.0011","90","","1126.8","","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","(1'R*,5'R*,7'R*)-dispiro(1,3-dioxolane-2,2'-(1',5'-dimethyl- 8'-oxa-bicyclo(3.2.1)octane)-7',2''-oxirane)","[1'R*,5'R*,7'R*]-dispiro[1,3-dioxolane-2,2'-(1',5'-dimethyl-8'-oxa- bicyclo[3.2.1]octane)-7',2''-oxirane]","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Hodgson, David M; Le Strat, Frédéric","Use of allene in 1,3-dipolar addition to a carbonyl ylide: syntheses of 3-hydroxy-cis-nemorensic acid and nemorensic acid.","Chemical communications (Cambridge, England)","2004","","7","822","823","10.1039/b316908a","","","0.71073","MoKα","","","0.0422","","","","0.0549","","","","","","1.0276","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102551","11.5045","0.0009","14.295","0.0011","11.4761","0.0008","104.455","0.003","106.799","0.003","97.201","0.002","1709.4","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C26 H30.4 Cl F6 N4 O7.2 P Ru S -","- C26 H30.4 Cl F6 N4 O7.2 P Ru S -","- C52 H60.8 Cl2 F12 N8 O14.4 P2 Ru2 S2 -","2","1","","Yamaguchi, Motowo; Kumano, Takashi; Masui, Dai; Yamagishi, Takamichi","Photoassisted oxygenation of alkane catalyzed by ruthenium complexes using 2,6-dichloropyridine N-oxide under visible light irradiation.","Chemical communications (Cambridge, England)","2004","","7","798","799","10.1039/b316970g","","","0.71069","MoKα","","0.0372","0.0334","","","0.0915","0.0978","","","","","","1.177","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102552","13.483","0.003","16.93","0.008","20.649","0.006","109.9","0.03","95.721","0.019","93.84","0.03","4384","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H100 O8 S8 Ti2 -","- C90 H99 O8 S8 Ti2 -","- C180 H198 O16 S16 Ti4 -","2","1","","Takemoto, Shin; Tanaka, Shinpei; Mizobe, Yasushi; Hidai, Masanobu","Ti-Mo heterobimetallic thiacalix[4]arene complex containing an unusual alpha-agostic micro2-eta5:eta2-cyclopentadienyl ligand.","Chemical communications (Cambridge, England)","2004","","7","838","839","10.1039/b316972c","","","0.71069","MoKα","","0.1496","0.0645","","","0.1818","0.2249","","","","","","1.037","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102553","23.43","0.01","23.594","0.011","22.051","0.009","90","","90","","90","","12190","9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H75 Mo O4 P2 S4 Ti -","- C64 H72 Mo O4 P2 S4 Ti -","- C512 H576 Mo8 O32 P16 S32 Ti8 -","8","1","","Takemoto, Shin; Tanaka, Shinpei; Mizobe, Yasushi; Hidai, Masanobu","Ti-Mo heterobimetallic thiacalix[4]arene complex containing an unusual alpha-agostic micro2-eta5:eta2-cyclopentadienyl ligand.","Chemical communications (Cambridge, England)","2004","","7","838","839","10.1039/b316972c","","","0.7107","MoKα","","0.2346","0.1726","","","0.2641","0.2878","","","","","","1.28","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102554","10.6505","0.0007","10.6505","0.0007","43.402","0.004","90","","90","","90","","4923.3","0.6","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","N-[(2R)-t-Boc-Aminocyclopent-(1S)-yl]-N-(thymin-1-acetyl)-glycine ethyl ester","","- C21 H32 N4 O7 -","- C21 H32 N4 O7 -","- C168 H256 N32 O56 -","8","1","","Govindaraju, T; Kumar, Vaijayanti A; Ganesh, Krishna N","cis-Cyclopentyl PNA (cpPNA) as constrained chiral PNA analogues: stereochemical dependence of DNA/RNA hybridization.","Chemical communications (Cambridge, England)","2004","","7","860","861","10.1039/b317000d","","","0.71073","MoKα","","0.0746","0.0733","","","0.1537","0.1543","","","","","","1.37","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102555","10.6483","0.0004","10.6483","0.0004","43.318","0.003","90","","90","","90","","4911.7","0.4","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","N-[(2S)-t-Boc-Aminocyclopent-(1R)-yl]-N-(thymin-1-acetyl)-glycine ethyl ester","","- C21 H32 N4 O7 -","- C21 H32 N4 O7 -","- C168 H256 N32 O56 -","8","1","","Govindaraju, T; Kumar, Vaijayanti A; Ganesh, Krishna N","cis-Cyclopentyl PNA (cpPNA) as constrained chiral PNA analogues: stereochemical dependence of DNA/RNA hybridization.","Chemical communications (Cambridge, England)","2004","","7","860","861","10.1039/b317000d","","","0.71073","MoKα","","0.0697","0.054","","","0.1188","0.1249","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102556","10.8323","0.0016","7.0661","0.0007","19.696","0.003","90","","102.916","0.011","90","","1469.4","0.3","294","","294","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 -","- C16 H14 N6 -","- C64 H56 N24 -","4","1","","Zhang, Zhi-Qin; Njus, Jeffrey M; Sandman, Daniel J; Guo, Chengyun; Foxman, Bruce M; Erk, Peter; van Gelder, Richard","Diiminoisoindoline: tautomerism, conformations, and polymorphism.","Chemical communications (Cambridge, England)","2004","","7","886","887","10.1039/b400111g","","","1.5418","CuKα","","0.0571","0.0376","","0.0778","0.0463","0.0463","","","","","","1.0812","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102557","8.3777","0.0004","6.4807","0.0002","12.9513","0.0005","90","","97.793","0.004","90","","696.68","0.05","294","","294","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Zhang, Zhi-Qin; Njus, Jeffrey M; Sandman, Daniel J; Guo, Chengyun; Foxman, Bruce M; Erk, Peter; van Gelder, Richard","Diiminoisoindoline: tautomerism, conformations, and polymorphism.","Chemical communications (Cambridge, England)","2004","","7","886","887","10.1039/b400111g","","","0.71073","MoKα","","0.0446","0.0344","","0.0665","0.0462","0.0462","","","","","","1.0724","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102558","14.968","0.003","15.662","0.003","17.193","0.003","90","","90","","90","","4030.5","1.4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H15 I2 N3 O2 U -","- C15 H15 I2 N3 O2 U -","- C120 H120 I16 N24 O16 U8 -","8","1","","Berthet, Jean-Claude; Nierlich, Martine; Ephritikhine, Michel","Synthesis of the stable UO2I2, the last of the uranyl dihalides. X-ray crystal structure of [UO2I2(py)3].","Chemical communications (Cambridge, England)","2004","","7","870","871","10.1039/b400717d","","","0.71073","MoKα","","0.0538","0.0339","","","0.0676","0.0764","","","","","","0.884","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102559","13.0129","0.0005","6.6017","0.0002","17.1427","0.0008","90","","97.836","0.001","90","","1458.93","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C52 H72 N16 O24 -","4","1","","Trask, Andrew V; Motherwell, W D Samuel; Jones, William","Solvent-drop grinding: green polymorph control of cocrystallisation.","Chemical communications (Cambridge, England)","2004","","7","890","891","10.1039/b400978a","","","0.71073","MoKα","","0.1061","0.0645","","","0.187","0.2271","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102560","8.3212","0.0008","8.6667","0.0008","11.3636","0.0012","68.955","0.004","78.559","0.004","74.236","0.004","731.43","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C26 H36 N8 O12 -","2","1","","Trask, Andrew V; Motherwell, W D Samuel; Jones, William","Solvent-drop grinding: green polymorph control of cocrystallisation.","Chemical communications (Cambridge, England)","2004","","7","890","891","10.1039/b400978a","","","0.71073","MoKα","","0.0815","0.0572","","","0.1569","0.1771","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102561","9.0758","0.0002","9.4187","0.0002","11.0961","0.0003","84.7122","0.0012","83.0332","0.0013","63.7546","0.0009","843.66","0.04","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H29 N3 Si -","- C14 H29 N3 Si -","- C28 H58 N6 Si2 -","2","1","","Tamm, Matthias; Randoll, Sören; Bannenberg, Thomas; Herdtweck, Eberhardt","Titanium complexes with imidazolin-2-iminato ligands.","Chemical communications (Cambridge, England)","2004","","7","876","877","10.1039/b401041h","","","0.71073","MoKα","","0.0524","0.0465","","","0.1333","0.1367","","","","","","1.149","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102562","12.878","0.0002","17.5935","0.0002","8.5676","0.0001","90","","90","","90","","1941.15","0.04","173","1","173","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H25 Cl2 N3 Ti -","- C16 H25 Cl2 N3 Ti -","- C64 H100 Cl8 N12 Ti4 -","4","0.5","","Tamm, Matthias; Randoll, Sören; Bannenberg, Thomas; Herdtweck, Eberhardt","Titanium complexes with imidazolin-2-iminato ligands.","Chemical communications (Cambridge, England)","2004","","7","876","877","10.1039/b401041h","","","0.71073","MoKα","","0.0403","0.0347","","","0.0877","0.0901","","","","","","1.212","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102563","22.7186","0.0009","10.2902","0.0004","20.7759","0.0009","90","","99.445","0.001","90","","4791.1","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H66 Cl2 N2 O2 Zr -","- C51 H66 Cl2 N2 O2 Zr -","- C204 H264 Cl8 N8 O8 Zr4 -","4","1","","Knight, Paul D; Munslow, Ian; O'Shaughnessy, Paul N; Scott, Peter","Zirconium catalysed enantioselective hydroamination/cyclisation.","Chemical communications (Cambridge, England)","2004","","7","894","895","10.1039/b401493f","","","0.71073","MoKα","","0.1978","0.0842","","","0.1449","0.1919","","","","","","1.044","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102564","22.9483","0.0011","22.9483","0.0011","16.198","0.0012","90","","90","","120","","7387.4","0.7","90","1","90","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- C168 H172 N12 O26 -","- C168 H172.02 N12 O26 -","- C336 H344.04 N24 O52 -","2","0.166667","","Ma, Bao-Qing; Coppens, Philip","Symmetry induced supramolecular assembly of a resorcinarene trimeric molecular box.","Chemical communications (Cambridge, England)","2004","","8","932","933","10.1039/b315091g","","","0.71073","MoKα","","0.1096","0.0656","","","0.1676","0.1962","","","","","","1.07","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102565","22.9898","0.001","22.9898","0.001","16.4458","0.001","90","","90","","120","","7527.6","0.7","90","1","90","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- C176 H188 N12 O26 -","- C176.04 H148.02 N12 O26 -","- C352.08 H296.04 N24 O52 -","2","0.166667","","Ma, Bao-Qing; Coppens, Philip","Symmetry induced supramolecular assembly of a resorcinarene trimeric molecular box.","Chemical communications (Cambridge, England)","2004","","8","932","933","10.1039/b315091g","","","0.71073","MoKα","","0.2297","0.0914","","","0.2247","0.3206","","","","","","1.022","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102566","23.0604","0.0011","23.0604","0.0011","16.2247","0.0013","90","","90","","120","","7472.1","0.8","90","1","90","1","","","","","","","","4","P 63/m","-P 6c","176","","","","- C168 H196 N12 O26 -","- C168 H184.02 N12 O26 -","- C336 H368.04 N24 O52 -","2","0.166667","","Ma, Bao-Qing; Coppens, Philip","Symmetry induced supramolecular assembly of a resorcinarene trimeric molecular box.","Chemical communications (Cambridge, England)","2004","","8","932","933","10.1039/b315091g","","","0.71073","MoKα","","0.0876","0.0547","","","0.14","0.1714","","","","","","1.029","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102567","18.521","0.004","9.849","0.002","18.691","0.004","90","","106.52","0.03","90","","3268.8","1.1","180","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(2,6-dimethylphenylimido)bis(trimethylphosphine)(chloro) ((2,6-dimethylphenyl)(dimethylsilyl)amido)molybdenum (IV)","(2,6-dimethylphenylimido)bis(trimethylphosphine)(chloro) ((2,6-dimethylphenyl)(dimethylsilyl)amido)molybdenum (IV)","","- C27 H50 Cl Mo N2 P2 Si -","- C27 H50 Cl Mo N2 P2 Si -","- C108 H200 Cl4 Mo4 N8 P8 Si4 -","4","1","","Ignatov, Stanislav K; Rees, Nicholas H; Dubberley, Stuart R; Razuvaev, Alexei G; Mountford, Philip; Nikonov, Georgii I","Unexpected features of stretched Si-H...Mo beta-agostic interactions.","Chemical communications (Cambridge, England)","2004","","8","952","953","10.1039/b315517j","","","0.71073","MoKα","","0.1006","0.0505","","","0.1118","0.1285","","","","","","1.012","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102568","18.403","0.004","9.92","0.002","18.548","0.004","90","","105.78","0.03","90","","3258.4","1.1","180","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(2,6-dimethylphenylimido)(bis(trimethylphosphine))(chloro) ((2,6-dimethylphenyl)(chloromethylsilyl)amido)molybdenum (IV)","(2,6-dimethylphenylimido)(bis(trimethylphosphine))(chloro) ((2,6-dimethylphenyl)(chloromethylsilyl)amido)molybdenum (IV)","","- C26 H47 Cl2 Mo N2 P2 Si -","- C26 H47 Cl2 Mo N2 P2 Si -","- C104 H188 Cl8 Mo4 N8 P8 Si4 -","4","1","","Ignatov, Stanislav K; Rees, Nicholas H; Dubberley, Stuart R; Razuvaev, Alexei G; Mountford, Philip; Nikonov, Georgii I","Unexpected features of stretched Si-H...Mo beta-agostic interactions.","Chemical communications (Cambridge, England)","2004","","8","952","953","10.1039/b315517j","","","0.71073","MoKα","","0.1175","0.0569","","","0.1174","0.1327","","","","","","1.041","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102569","10.42","0.002","17.208","0.004","7.519","0.002","90","","90","","90","","1348.3","0.6","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Sakamoto, Masami; Kobaru, Shuichiro; Mino, Takashi; Fujita, Tsutomu","Absolute asymmetric synthesis by nucleophilic carbonyl addition using chiral crystals of achiral amides.","Chemical communications (Cambridge, England)","2004","","8","1002","1003","10.1039/b315729f","","","1.54178","CuKα","","0.051","0.046","","0.151","0.15","0.15","","","0.845","0.722","0.722","0.722","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102570","10.937","0.005","13.987","0.005","9.896","0.004","90","","90","","90","","1513.8","1","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Sakamoto, Masami; Kobaru, Shuichiro; Mino, Takashi; Fujita, Tsutomu","Absolute asymmetric synthesis by nucleophilic carbonyl addition using chiral crystals of achiral amides.","Chemical communications (Cambridge, England)","2004","","8","1002","1003","10.1039/b315729f","","","1.54178","CuKα","","0.059","0.059","","0.346","0.346","0.346","","","0.497","0.462","0.462","0.462","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102571","14.384","0.004","16.234","0.005","8.049","0.004","90","","90","","90","","1879.6","1.2","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Sakamoto, Masami; Kobaru, Shuichiro; Mino, Takashi; Fujita, Tsutomu","Absolute asymmetric synthesis by nucleophilic carbonyl addition using chiral crystals of achiral amides.","Chemical communications (Cambridge, England)","2004","","8","1002","1003","10.1039/b315729f","","","1.54178","CuKα","","0.042","0.037","","0.098","0.097","0.097","","","0.724","0.599","0.599","0.599","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102572","19.753","0.005","22.214","0.007","9.936","0.003","90","","90","","90","","4360","2","298","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C224 H184 N8 O16 -","8","1","","Sakamoto, Masami; Kobaru, Shuichiro; Mino, Takashi; Fujita, Tsutomu","Absolute asymmetric synthesis by nucleophilic carbonyl addition using chiral crystals of achiral amides.","Chemical communications (Cambridge, England)","2004","","8","1002","1003","10.1039/b315729f","","","1.54178","CuKα","","0.07","0.051","","0.218","0.217","0.217","","","1.327","0.869","0.869","0.869","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102573","14.108","0.003","14.438","0.003","15.051","0.003","75.371","0.003","88.083","0.003","60.879","0.003","2576.9","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H120 P4 Ru2 -","- C128 H120 P4 Ru2 -","- C128 H120 P4 Ru2 -","1","0.5","","Antonova, Alla B; Bruce, Michael I; Ellis, Benjamin G; Gaudio, Maryka; Humphrey, Paul A; Jevric, Martyn; Melino, Giovanni; Nicholson, Brian K; Perkins, Gary J; Skelton, Brian W; Stapleton, Bronwin; White, Allan H; Zaitseva, Natasha N","A novel methodology for the synthesis of complexes containing long carbon chains linking metal centres: molecular structures of [Ru(dppe)Cp*]2(mu-C14) and [Co3(mu-dppm)(CO)7]2(mu3:mu3-C16).","Chemical communications (Cambridge, England)","2004","","8","960","961","10.1039/b315854n","","","0.71073","MoKα","","0.088","0.062","","0.086","","0.078","","","0.996","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7102574","9.17","0.001","19.914","0.003","20.221","0.003","90","","97.901","0.003","90","","3657.5","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H44 Co6 O14 P4 -","- C80 H44 Co6 O14 P4 -","- C160 H88 Co12 O28 P8 -","2","0.5","","Antonova, Alla B; Bruce, Michael I; Ellis, Benjamin G; Gaudio, Maryka; Humphrey, Paul A; Jevric, Martyn; Melino, Giovanni; Nicholson, Brian K; Perkins, Gary J; Skelton, Brian W; Stapleton, Bronwin; White, Allan H; Zaitseva, Natasha N","A novel methodology for the synthesis of complexes containing long carbon chains linking metal centres: molecular structures of [Ru(dppe)Cp*]2(mu-C14) and [Co3(mu-dppm)(CO)7]2(mu3:mu3-C16).","Chemical communications (Cambridge, England)","2004","","8","960","961","10.1039/b315854n","","","0.71073","MoKα","","0.095","0.057","","0.078","","0.067","","","1.042","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7102575","40.058","0.004","10.251","0.002","27.769","0.004","90","","125.64","0.01","90","","9267","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H92 Cu3 N4 O6 P4 -","- C108 H92 Cu3 N4 O6 P4 -","- C432 H368 Cu12 N16 O24 P16 -","4","0.5","","Czaun, Miklós; Speier, Gábor; Párkányi, László","Facile copper-mediated activation of the N-H bond and the oxidative cleavage of the C2-C3 bond in 1H-2-phenyl-3-hydroxy-4-oxoquinoline.","Chemical communications (Cambridge, England)","2004","","8","1004","1005","10.1039/b315919a","","","0.7107","MoKα","","0.1095","0.0379","","","0.0834","0.0935","","","","","","0.859","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102576","9.34","0.002","9.626","0.003","10.522","0.001","101.86","0.01","108.49","0.02","107.73","0.02","805.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cu N4 O6 -","- C36 H34 Cu N4 O6 -","- C36 H34 Cu N4 O6 -","1","0.5","","Czaun, Miklós; Speier, Gábor; Párkányi, László","Facile copper-mediated activation of the N-H bond and the oxidative cleavage of the C2-C3 bond in 1H-2-phenyl-3-hydroxy-4-oxoquinoline.","Chemical communications (Cambridge, England)","2004","","8","1004","1005","10.1039/b315919a","","","1.54184","CUkα","","0.0445","0.0425","","","0.1148","0.1169","","","","","","1.086","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102577","10.033","0.003","12.778","0.011","17.681","0.015","90","","117.36","0.06","90","","2013","3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C41 H50 Cu N6 O7 -","- C41 H50 Cu N6 O7 -","- C82 H100 Cu2 N12 O14 -","2","1","","Czaun, Miklós; Speier, Gábor; Párkányi, László","Facile copper-mediated activation of the N-H bond and the oxidative cleavage of the C2-C3 bond in 1H-2-phenyl-3-hydroxy-4-oxoquinoline.","Chemical communications (Cambridge, England)","2004","","8","1004","1005","10.1039/b315919a","","","1.54184","CUkα","","0.0318","0.0297","","","0.077","0.0781","","","","","","1.045","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102578","17.4169","0.0011","17.4169","0.0011","31.739","0.002","90","","90","","120","","8338.1","0.9","293","2","293","2","","","","","","","","7","P -6 c 2","P -6c 2","188","","","","- C84 H174 Cl6 Cu8 N24 Na2 O54 -","- C84 H150 Cl5.98 Cu8 N24 Na2 O55.97 -","- C168 H300 Cl11.96 Cu16 N48 Na4 O111.94 -","2","0.166667","","Pardo, Emilio; Bernot, Kevin; Julve, Miguel; Lloret, Francesc; Cano, Joan; Ruiz-García, Rafael; Pasán, Jorge; Ruiz-Pérez, Catalina; Ottenwaelder, Xavier; Journaux, Yves","Self-assembly and magnetic properties of a double-propeller octanuclear copper(II) complex with a meso-helicate-type metallacryptand core.","Chemical communications (Cambridge, England)","2004","","8","920","921","10.1039/b316081e","","","0.71073","MoKα","","0.2243","0.0893","","","0.1473","0.3789","","","","","","1.108","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102579","15.53","0.0002","21.487","0.0002","26.613","0.0003","90","","90","","90","","8880.57","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H90.5 Cl5.5 Fe3 N6 O5 -","- C79.998 H74.556 Cl5.444 Fe3 N6 O5 -","- C319.992 H298.224 Cl21.776 Fe12 N24 O20 -","4","1","","Hong, Bog Ki; Lee, In Su; Shin, Dong Mok; Chung, Young Keun","A chiral molecular bowl containing three ferrocenes: synthesis and its efficiency in an optical resolution of 1,1'-bi-2-naphthol.","Chemical communications (Cambridge, England)","2004","","8","936","937","10.1039/b316520e","","","0.71073","MoKα","","0.2539","0.096","","","0.181","0.2431","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102580","13.586","0.001","20.43","0.001","25.727","0.001","90","","90","","90","","7140.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H80 Cl2 Fe3 N6 O4 -","- C75 H78 Cl1.998 Fe3 N6 O4 -","- C300 H312 Cl7.992 Fe12 N24 O16 -","4","1","","Hong, Bog Ki; Lee, In Su; Shin, Dong Mok; Chung, Young Keun","A chiral molecular bowl containing three ferrocenes: synthesis and its efficiency in an optical resolution of 1,1'-bi-2-naphthol.","Chemical communications (Cambridge, England)","2004","","8","936","937","10.1039/b316520e","","","0.71073","MoKα","","0.1039","0.0546","","","0.1087","0.1273","","","","","","1.008","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102581","11.836","0.0002","16.483","0.0003","34.766","0.0005","90","","90","","90","","6782.6","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H70 Cl2 Fe3 N6 O -","- C78.995 H70 Cl2 Fe3 N6 O -","- C315.98 H280 Cl8 Fe12 N24 O4 -","4","1","","Hong, Bog Ki; Lee, In Su; Shin, Dong Mok; Chung, Young Keun","A chiral molecular bowl containing three ferrocenes: synthesis and its efficiency in an optical resolution of 1,1'-bi-2-naphthol.","Chemical communications (Cambridge, England)","2004","","8","936","937","10.1039/b316520e","","","0.71073","MoKα","","0.1423","0.0521","","","0.0665","0.0829","","","","","","0.964","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102582","10.409","0.0006","10.409","0.0006","17.1883","0.0019","90","","90","","90","","1862.3","0.3","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","Hexaamminecobalt(III) octacarbonatohydroxotetracuprate(II)dihydrate","","","- C8 H59 Co3 Cu4 N18 O27 -","- C8 H Co3 Cu4 N18 O27 -","- C16 H2 Co6 Cu8 N36 O54 -","2","0.0625","","Abrahams, Brendan F; Haywood, Marissa G; Robson, Richard","[Co(NH3)6]3[Cu4(OH)(CO3)8].2H2O‒a new carbonato-copper(II) anion stabilized by extensive hydrogen bonding.","Chemical communications (Cambridge, England)","2004","","8","938","939","10.1039/b316925a","","","0.71073","MoKα","","0.0605","0.0486","","","0.1359","0.1441","","","","","","1.18","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102583","20.896","0.004","14.04","0.003","24.185","0.005","90","","112.42","0.03","90","","6559","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 Cu N7 O6 -","- C32 H29 Cu N7 O6 -","- C256 H232 Cu8 N56 O48 -","8","1","","Maurizot, Victor; Linti, Gerald; Huc, Ivan","Solid state characterization of oligopyridine dicarboxamide helicates.","Chemical communications (Cambridge, England)","2004","","8","924","925","10.1039/b317078k","","","0.71073","MoKα","","0.0617","0.0471","","","0.1242","0.1342","","","","","","1.012","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102584","32.177","0.006","15.395","0.003","29.607","0.006","90","","90","","90","","14666","5","200","2","200","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C69.13 H57.38 Cu3 N15 Na0.13 O13 S -","- C69.38 H54.78 Cu3 N15 Na0.125 O13.01 S -","- C555.04 H438.24 Cu24 N120 Na O104.08 S8 -","8","1","","Maurizot, Victor; Linti, Gerald; Huc, Ivan","Solid state characterization of oligopyridine dicarboxamide helicates.","Chemical communications (Cambridge, England)","2004","","8","924","925","10.1039/b317078k","","","0.71073","MoKα","","0.1095","0.0672","","","0.1857","0.2067","","","","","","0.942","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102585","10.0629","0.0008","10.4494","0.0009","11.1914","0.0009","82.207","0.001","78.44","0.001","63.315","0.001","1028.72","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Three-dimensional lanthanum selenate","","","- C2 H18 La2 N2 O20 Se4 -","- C2 H18 La2 N2 O20 Se4 -","- C4 H36 La4 N4 O40 Se8 -","2","1","","Behera, J N; Ayi, A A; Rao, C N R","The first organically templated open-framework metal selenate with a three-dimensional architecture.","Chemical communications (Cambridge, England)","2004","","8","968","969","10.1039/b400120f","","","0.71073","MoKα","","0.0398","0.0301","","","0.0674","0.0709","","","","","","1.024","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102586","9.766","0.001","10.662","0.001","18.675","0.001","104.46","0.01","96.15","0.01","109.47","0.01","1736.2","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 B F10 Si Zr -","- C40 H31 B F10 Si Zr -","- C80 H62 B2 F20 Si2 Zr2 -","2","1","","Hill, Michael; Kehr, Gerald; Erker, Gerhard; Kataeva, Olga; Fröhlich, Roland","Formation of a bifunctional zirconocene complex that favours intramolecular -B(C6F5)2 addition to a Cp ring over sigma-ligand abstraction.","Chemical communications (Cambridge, England)","2004","","8","1020","1021","10.1039/b400228h","","","0.71073","MoKα","","0.0437","0.0351","","","0.0863","0.0908","","","","","","1.061","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102587","8.2367","0.0003","8.9543","0.0004","14.8873","0.0007","90","","90","","90","","1098","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","oso2","oso2","","- C7 H11 N O7 S -","- C7 H11 N O7 S -","- C28 H44 N4 O28 S4 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Jiménez-Osés, Gonzalo; Peregrina, Jesús M","SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure beta2,2-amino acids.","Chemical communications (Cambridge, England)","2004","","8","980","981","10.1039/b400282b","","","0.71073","MoKα","","0.1139","0.0591","","","0.1301","0.1591","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102588","8.8646","0.0003","10.9014","0.0004","12.4336","0.0005","90","","90","","90","","1201.54","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","OSO1","OSO1","","- C8 H14 N2 O7 S -","- C8 H14 N2 O7 S -","- C32 H56 N8 O28 S4 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Jiménez-Osés, Gonzalo; Peregrina, Jesús M","SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure beta2,2-amino acids.","Chemical communications (Cambridge, England)","2004","","8","980","981","10.1039/b400282b","","","0.71073","MoKα","","0.046","0.04","","","0.0998","0.1029","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102589","9.3701","0.0019","12.076","0.002","12.4","0.003","88.01","0.03","85.14","0.03","73.19","0.03","1338.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H35 Ag2 Cl3 F6 N8 O9 -","- C42.5 H35 Ag2 Cl3 F6 N8 O9 -","- C42.5 H35 Ag2 Cl3 F6 N8 O9 -","1","0.5","","Burchell, Tara J; Eisler, Dana J; Puddephatt, Richard J","Engineering silver(I) coordination networks through hydrogen bonding.","Chemical communications (Cambridge, England)","2004","","8","944","945","10.1039/b400523f","","","0.71073","MoKα","","0.0781","0.0612","","","0.17","0.1822","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102590","9.4067","0.0019","24.33","0.005","11.965","0.002","90","","98.98","0.03","90","","2704.8","0.9","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C45 H36 Ag2 Cl5 F6 N8 O8 -","- C45 H36 Ag2 Cl5 F6 N8 O8 -","- C90 H72 Ag4 Cl10 F12 N16 O16 -","2","0.25","","Burchell, Tara J; Eisler, Dana J; Puddephatt, Richard J","Engineering silver(I) coordination networks through hydrogen bonding.","Chemical communications (Cambridge, England)","2004","","8","944","945","10.1039/b400523f","","","0.71073","MoKα","","0.0711","0.0552","","","0.1576","0.1675","","","","","","1.086","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102591","8.946","0.002","12.144","0.002","6.584","0.001","90","","90","","90","","715.3","0.2","214","2","214","2","","","","","","","","4","P n c m","-P 2 2bc","53","","","","- C12 H20 N2 O8 -","- C12 H8 N2 O8 -","- C24 H16 N4 O16 -","2","0.25","","Braga, Dario; Maini, Lucia","Solid-state versus solution preparation of two crystal forms of [HN(CH2CH2)3NH][OOC(CH2)COOH]2. Polymorphs or hydrogen bond isomers?","Chemical communications (Cambridge, England)","2004","","8","976","977","10.1039/b400901k","","","0.71073","MoKα","","0.0931","0.0802","","","0.2285","0.2428","","","","","","1.051","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102592","6.807","0.003","8.939","0.004","11.833","0.007","94.54","0.04","90.75","0.04","94","0.03","715.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N2 O8 -","- C12 H20 N2 O8 -","- C24 H40 N4 O16 -","2","1","","Braga, Dario; Maini, Lucia","Solid-state versus solution preparation of two crystal forms of [HN(CH2CH2)3NH][OOC(CH2)COOH]2. Polymorphs or hydrogen bond isomers?","Chemical communications (Cambridge, England)","2004","","8","976","977","10.1039/b400901k","","","0.71073","MoKα","","0.0503","0.046","","","0.131","0.1363","","","","","","1.021","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102593","15.459","0.003","7.6854","0.0016","18.589","0.004","90","","105.08","0.003","90","","2132.5","0.8","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(2-(2-methylbenzothien-3-yl)benzothien-3-yl)-2- methoxyhexafluorocyclopentene","1-(2-(2-methylbenzothien-3-yl)benzothien-3-yl)-2- methoxyhexafluorocyclopentene","","- C23 H14 F6 O S2 -","- C23 H14 F6 O S2 -","- C92 H56 F24 O4 S8 -","4","1","","Yamaguchi, Tadatsugu; Fujita, Yuji; Irie, Masahiro","Photochromism of a novel 6pi conjugate system having a bis(2,3'-benzothienyl) unit.","Chemical communications (Cambridge, England)","2004","","8","1010","1011","10.1039/b401207k","","","0.71073","MoKα","","0.0566","0.0464","","","0.1179","0.1313","","","","","","1.087","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102594","25.58","0.006","25.58","0.006","12.455","0.004","90","","90","","90","","8150","4","546","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","3b","","","- C23 H14 F6 O S2 -","- C23 H14 F6 O S2 -","- C368 H224 F96 O16 S32 -","16","1","","Yamaguchi, Tadatsugu; Fujita, Yuji; Irie, Masahiro","Photochromism of a novel 6pi conjugate system having a bis(2,3'-benzothienyl) unit.","Chemical communications (Cambridge, England)","2004","","8","1010","1011","10.1039/b401207k","","","0.71073","MoKα","","0.1221","0.0499","","","0.1206","0.1657","","","","","","1.047","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102595","10.497","0.003","12.628","0.004","13","0.003","83.22","0.006","74.952","0.008","66.869","0.007","1530.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Zn(hp(OH)4)(py) py","","","- C36 H24 N10 O4 Zn -","- C36 H24 N10 O4 Zn -","- C72 H48 N20 O8 Zn2 -","2","1","","Ruf, Michael; Durfee, William S; Pierpont, Cortlandt G","Synthesis of a quinone-functionalized macrocyclic ligand and the intense fluorescence of its zinc complex.","Chemical communications (Cambridge, England)","2004","","8","1022","1023","10.1039/b401334d","","","0.71073","MoKa","","0.0352","0.0299","","0.092","0.0816","","","","1.055","1.082","1.082","","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102596","4.6912","0.0003","9.1062","0.0005","12.4096","0.0006","92.712","0.002","98.596","0.001","91.648","0.002","523.24","0.05","294","2","294","2","","","","","","","Sublimation","4","P -1","-P 1","2","H2hp(OH)4","1,4,14,17-Tetrahydroxohemiporphyrazine","","- C26 H16 N8 O4 -","- C26 H16 N8 O4 -","- C26 H16 N8 O4 -","1","0.5","","Ruf, Michael; Durfee, William S; Pierpont, Cortlandt G","Synthesis of a quinone-functionalized macrocyclic ligand and the intense fluorescence of its zinc complex.","Chemical communications (Cambridge, England)","2004","","8","1022","1023","10.1039/b401334d","","","0.71073","MoKa","","0.0905","0.0545","","0.1334","0.1066","","","","1.133","1.188","1.188","","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102597","11.372","0.002","17.016","0.003","20.126","0.004","112.99","0.03","96.74","0.03","90.22","0.03","3555.3","1.2","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H53 Eu2 N6 O32.5 S6 -","- C66 H36 Eu2 N6 O32.5 S6 -","- C132 H72 Eu4 N12 O65 S12 -","2","1","","de Bettencourt Dias, Ana; Viswanathan, Subha","Luminescent Ln3+ nitrobenzoato complexes: first examples of sensitization of green and red emission.","Chemical communications (Cambridge, England)","2004","","8","1024","1025","10.1039/b402038c","","","0.71073","MoKα","","0.0541","0.0462","","","0.1121","0.1168","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102598","11.416","0.002","16.896","0.003","20.075","0.004","113.09","0.03","96.85","0.03","90.46","0.03","3530.1","1.2","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H53 N6 O32.5 S6 Tb2 -","- C66 H36 N6 O32.5 S6 Tb2 -","- C132 H72 N12 O65 S12 Tb4 -","2","1","","de Bettencourt Dias, Ana; Viswanathan, Subha","Luminescent Ln3+ nitrobenzoato complexes: first examples of sensitization of green and red emission.","Chemical communications (Cambridge, England)","2004","","8","1024","1025","10.1039/b402038c","","","0.71073","MoKα","","0.0689","0.0485","","","0.1173","0.1275","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102599","12.581","0.002","26.239","0.002","12.718","0.002","90","","90.34","0.02","90","","4198.2","1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2b","","","- C44 H56 O4 -","- C44 H56 O4 -","- C176 H224 O16 -","4","1","","Atwood, Jerry L; Barbour, Leonard J; Lloyd, Gareth O; Thallapally, Praveen K","Polymorphism of pure p-tert-butylcalix[4]arene: subtle thermally-induced modifications.","Chemical communications (Cambridge, England)","2004","","8","922","923","10.1039/b402452b","","","1.5406","CuKα","","0.1011","0.0545","","","0.1345","0.16","","","","","","1.022","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102600","12.804","0.003","26.742","0.005","12.799","0.003","90","","90.13","0.03","90","","4382.5","1.5","403","2","403","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","TBC4@130Degrees","","","- C44 H56 O4 -","- C44 H56 O4 -","- C176 H224 O16 -","4","1","","Atwood, Jerry L; Barbour, Leonard J; Lloyd, Gareth O; Thallapally, Praveen K","Polymorphism of pure p-tert-butylcalix[4]arene: subtle thermally-induced modifications.","Chemical communications (Cambridge, England)","2004","","8","922","923","10.1039/b402452b","","","0.71073","MoKα","","0.4833","0.2373","","","0.5396","0.6251","","","","","","1.09","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102601","12.5105","0.0002","12.7713","0.0002","12.93","0.0002","87.501","0.001","77.2","0.001","82.947","0.001","1999.03","0.05","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H42 Ag2 F6 O6 S8 -","- C26 H42 Ag2 F6 O6 S8 -","- C52 H84 Ag4 F12 O12 S16 -","2","1","","Fu, Yuan-Te; Lynch, Vincent M; Lagow, Richard J","Hexakis(isopropylthio)-1,5-hexadien-3-yne and its fluorescent Ag(I) coordination polymers: assembly of helicates with thioether sites.","Chemical communications (Cambridge, England)","2004","","9","1068","1069","10.1039/b314292b","","","0.71073","MoKα","","0.0795","0.0457","","","0.1105","0.1248","","","","","","1.013","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102602","18.558","0.0001","18.6065","0.0001","21.9358","0.0001","90","","107.995","0.001","90","","7203.9","0.06","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H86 Ag5 N5 O16 S12 -","- C48 H86 Ag5 N5 O16 S12 -","- C192 H344 Ag20 N20 O64 S48 -","4","1","","Fu, Yuan-Te; Lynch, Vincent M; Lagow, Richard J","Hexakis(isopropylthio)-1,5-hexadien-3-yne and its fluorescent Ag(I) coordination polymers: assembly of helicates with thioether sites.","Chemical communications (Cambridge, England)","2004","","9","1068","1069","10.1039/b314292b","","","0.71073","MoKα","","0.0518","0.0356","","","0.0827","0.09","","","","","","1.073","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102603","36.833","0.007","10.774","0.002","22.352","0.005","90","","120.82","0.03","90","","7618","4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","calix(4)arene dihydroxyphosphonic acid phenanthroline","","","- C40 H40 N2 O13 P2 -","- C40 H40 N2 O13 P2 -","- C320 H320 N16 O104 P16 -","8","1","","Lazar, Adina N; Navaza, Alda; Coleman, Anthony W","Solid-state caging of 1,10-phenanthroline pi-pi stacked dimers by calix[4]arene dihydroxyphosphonic acid.","Chemical communications (Cambridge, England)","2004","","9","1052","1053","10.1039/b315600c","","","0.71073","MoKα","","","0.074","","","","0.1783","","","","","","0.968","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102604","7.886","0.003","15.27","0.03","15.765","0.009","90","","90","","90","","1898","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Bis(4-cyanophenyl)-(1R,2R)-cyclohexanediamine hydrate","Bis(4-cyanophenyl)-(1R,2R)-cyclohexanediamine hydrate","","- C20 H22 N4 O -","- C20 H22 N4 O -","- C80 H88 N16 O4 -","4","1","","Anthony, S Philip; Radhakrishnan, T P","Helical and network coordination polymers based on a novel C2-symmetric ligand : SHG enhancement through specific metal coordination.","Chemical communications (Cambridge, England)","2004","","9","1058","1059","10.1039/b316931f","","","0.71073","MoKα","","0.1205","0.0535","","","0.1204","0.1635","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102605","9.5577","0.0009","10.48","0.0012","15.639","0.002","90","","90","","90","","1566.5","0.3","293","2","293","2","","","","","","","","7","P 2 21 21","P 2bc 2","18","Copper(BCDC)Hexafluorophosphate.Tetrahydrofuran","Copper(BCDC)Hexafluorophosphate.Tetrahydrofuran","","- C14 H18 Cu0.5 F3 N2 O P0.5 -","- C14 H18 Cu0.5 F3 N2 O P0.5 -","- C56 H72 Cu2 F12 N8 O4 P2 -","4","1","","Anthony, S Philip; Radhakrishnan, T P","Helical and network coordination polymers based on a novel C2-symmetric ligand : SHG enhancement through specific metal coordination.","Chemical communications (Cambridge, England)","2004","","9","1058","1059","10.1039/b316931f","","","0.71073","MoKα","","0.1522","0.0653","","","0.1464","0.2112","","","","","","1.155","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102606","9.488","0.003","14.094","0.003","31.354","0.004","90","","90","","90","","4193","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Silver(i)(BCDC)Perchlorate","Silver(I)(BCDC)Perchlorate","","- C40 H40 Ag2 Cl2 N8 O8 -","- C40 H40 Ag2 Cl2 N8 O8 -","- C160 H160 Ag8 Cl8 N32 O32 -","4","1","","Anthony, S Philip; Radhakrishnan, T P","Helical and network coordination polymers based on a novel C2-symmetric ligand : SHG enhancement through specific metal coordination.","Chemical communications (Cambridge, England)","2004","","9","1058","1059","10.1039/b316931f","","","0.71073","MoKα","","0.0652","0.0445","","","0.1194","0.1418","","","","","","1.198","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102607","13.4372","0.0001","15.8642","0.0001","20.626","0.0002","90","","90","","90","","4396.85","0.06","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 B2 Cl2 F4 N6 -","- C38 H40 B2 F4 N6 -","- C152 H160 B8 F16 N24 -","4","1","","Köhler, Thomas; Hodgson, Michael C; Seidel, Daniel; Veauthier, Jacqueline M; Meyer, Sylvie; Lynch, Vincent; Boyd, Peter D W; Brothers, Penelope J; Sessler, Jonathan L","Octaethylporphyrin and expanded porphyrin complexes containing coordinated BF2 groups.","Chemical communications (Cambridge, England)","2004","","9","1060","1061","10.1039/b400596a","","","0.71073","MoKα","","0.0811","0.0649","","","0.1675","0.1769","","","","","","1.129","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102608","10.2302","0.0003","13.7883","0.0005","15.1221","0.0006","88.661","0.002","84.853","0.002","79.504","0.002","2088.88","0.13","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C42 H60 B3 F6 N5 O -","- C42 H60 B3 F6 N5 O -","- C84 H120 B6 F12 N10 O2 -","2","2","","Köhler, Thomas; Hodgson, Michael C; Seidel, Daniel; Veauthier, Jacqueline M; Meyer, Sylvie; Lynch, Vincent; Boyd, Peter D W; Brothers, Penelope J; Sessler, Jonathan L","Octaethylporphyrin and expanded porphyrin complexes containing coordinated BF2 groups.","Chemical communications (Cambridge, England)","2004","","9","1060","1061","10.1039/b400596a","","","0.71073","MoKα","","0.1522","0.0708","","","0.1162","0.1393","","","","","","1.15","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102609","12.1909","0.0002","13.2259","0.0002","19.419","0.0003","93.425","0.001","103.208","0.001","99.454","0.001","2991.34","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H58 B2 Cl6 F4 N8 -","- C50 H54 B2 F4 N8 -","- C100 H108 B4 F8 N16 -","2","1","","Köhler, Thomas; Hodgson, Michael C; Seidel, Daniel; Veauthier, Jacqueline M; Meyer, Sylvie; Lynch, Vincent; Boyd, Peter D W; Brothers, Penelope J; Sessler, Jonathan L","Octaethylporphyrin and expanded porphyrin complexes containing coordinated BF2 groups.","Chemical communications (Cambridge, England)","2004","","9","1060","1061","10.1039/b400596a","","","0.71073","MoKα","","0.1344","0.0819","","","0.1668","0.1707","","","","","","2.371","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102610","18.149","0.005","18.149","0.005","25.435","0.005","90","","90","","120","","7256","3","293","2","293","2","","","","","","","synthesis as described","7","R -3 :H","-R 3","148","(Et4N)6(Nb6F6Br6(NCS)6).2Br","","","- C54 H120 Br8 F6 N12 Nb6 S6 -","- C54 H120 Br7.98 F6 N12 Nb6 S6 -","- C162 H360 Br23.94 F18 N36 Nb18 S18 -","3","0.166667","","Naumov, Nikolai G; Cordier, Stephane; Perrin, Christiane","Soluble mu-Fi bridged niobium clusters: synthesis and crystal structures of (Et4N)6[Nb6Fi6Bri6(NCS)a6]Br2 and Cs1.6K2.4[Nb6Fi6Ii6(NCS)a6].","Chemical communications (Cambridge, England)","2004","","9","1126","1127","10.1039/b400668b","","x-ray","0.71069","MoKα","","0.0844","0.048","","","0.1139","0.1301","","","","","","1.041","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102611","17.406","0.005","12.237","0.005","23.155","0.005","90","","103.307","0.005","90","","4800","3","293","2","293","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","Cs1.6K2.4(Nb6F6I6(NCS)6)","","","- C6 Cs1.6 F6 I6 K2.4 N6 Nb6 S6 -","- C6 Cs1.607 F6 I6 K2.451 N6 Nb6 S5.99 -","- C24 Cs6.428 F24 I24 K9.804 N24 Nb24 S23.96 -","4","0.5","","Naumov, Nikolai G; Cordier, Stephane; Perrin, Christiane","Soluble mu-Fi bridged niobium clusters: synthesis and crystal structures of (Et4N)6[Nb6Fi6Bri6(NCS)a6]Br2 and Cs1.6K2.4[Nb6Fi6Ii6(NCS)a6].","Chemical communications (Cambridge, England)","2004","","9","1126","1127","10.1039/b400668b","","x-ray","0.71069","MoKα","","0.0883","0.0648","","","0.1772","0.1976","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102612","13.7819","0.0002","16.2114","0.0002","18.7744","0.0003","71.381","0.005","87.314","0.005","85.678","0.005","3962.7","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C108 H72 N8 Ni2 O4 -","- C108 H72 N8 Ni2 O4 -","- C216 H144 N16 Ni4 O8 -","2","1","","Jeandon, Christophe; Ruppert, Romain; Callot, Henry J","Porphyrin ring contraction: a one-pot reaction leading to divalent corroles.","Chemical communications (Cambridge, England)","2004","","9","1090","1091","10.1039/b400812j","","","0.71073","Mo-Kα","","0.121","0.046","","0.187","","0.063","","","1.734","","","1.071","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102613","13.027","0.001","13.346","0.001","15.242","0.001","95.1","0.005","115.364","0.002","91.537","0.006","2378.8","0.3","223.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 F12 Gd N3 Ni O10 -","- C40 H32 F12 Gd N3 Ni O10 -","- C80 H64 F24 Gd2 N6 Ni2 O20 -","2","1","","Yamaguchi, Tomoka; Sunatsuki, Yukinari; Kojima, Masaaki; Akashi, Haruo; Tsuchimoto, Masanobu; Re, Nazzareno; Osa, Shutaro; Matsumoto, Naohide","Ferromagnetic NiII-GdIII interactions in complexes with NiGd, NiGdNi, and NiGdGdNi cores supported by tripodal ligands.","Chemical communications (Cambridge, England)","2004","","9","1048","1049","10.1039/b401033g","","","0.7107","MoKα","","","0.047","","","","0.119","","","","","","1.25","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102614","13.2245","0.0005","13.8535","0.0004","16.4979","0.0005","90.29","0.002","104.022","0.002","111.761","0.001","2708.3","0.2","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 Gd N7 Ni2 O13 -","- C54 H48 Gd N7 Ni2 O13 -","- C108 H96 Gd2 N14 Ni4 O26 -","2","1","","Yamaguchi, Tomoka; Sunatsuki, Yukinari; Kojima, Masaaki; Akashi, Haruo; Tsuchimoto, Masanobu; Re, Nazzareno; Osa, Shutaro; Matsumoto, Naohide","Ferromagnetic NiII-GdIII interactions in complexes with NiGd, NiGdNi, and NiGdGdNi cores supported by tripodal ligands.","Chemical communications (Cambridge, England)","2004","","9","1048","1049","10.1039/b401033g","","","0.7107","MoKα","","","0.05","","","","0.128","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102615","10.971","0.003","12.584","0.002","14.195","0.003","63.82","0.02","70.819","0.004","81.437","0.007","1661.1","0.6","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H84 Gd2 N6 Ni2 O20 -","- C66 H66 Gd2 N6 Ni2 O20 -","- C66 H66 Gd2 N6 Ni2 O20 -","1","0.5","","Yamaguchi, Tomoka; Sunatsuki, Yukinari; Kojima, Masaaki; Akashi, Haruo; Tsuchimoto, Masanobu; Re, Nazzareno; Osa, Shutaro; Matsumoto, Naohide","Ferromagnetic NiII-GdIII interactions in complexes with NiGd, NiGdNi, and NiGdGdNi cores supported by tripodal ligands.","Chemical communications (Cambridge, England)","2004","","9","1048","1049","10.1039/b401033g","","","0.7107","MoKα","","","0.063","","","","0.155","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102616","11.275","0.016","14.52","0.016","20.52","0.02","86.969","0.01","77.615","0.01","73.435","0.01","3145","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H53 Cl4 Cu4 N10 O29.5 -","- C48 H42 Cl4 Cu4 N10 O29.5 -","- C96 H84 Cl8 Cu8 N20 O59 -","2","1","","Ray, Mau Sinha; Ghosh, Ashutosh; Das, Ansuman; Drew, Michael G B; Ribas-Arino, Jordi; Novoa, Juan; Ribas, Joan","A new tetrameric CuII cluster with square topology exhibiting ferro- and antiferromagnetic magnetic pathways : which is which?","Chemical communications (Cambridge, England)","2004","","9","1102","1103","10.1039/b401061b","","","0.71073","MoKα","","0.1669","0.0901","","","0.2352","0.2614","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102617","9.131","0.001","21.578","0.001","13.283","0.001","90","","90","","90","","2617.1","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 O2 P Ru -","- C27 H41 O2 P Ru -","- C108 H164 O8 P4 Ru4 -","4","1","","Carmichael, Duncan; Klankermayer, Jurgen; Ricard, Louis; Seeboth, Nicolas","Synthesis and resolution of the planar chirality of ester-functionalised phospharuthenocenes.","Chemical communications (Cambridge, England)","2004","","9","1144","1145","10.1039/b401088d","","","0.71069","MoKα","","0.0467","0.0379","","","0.0873","0.0918","","","","","","1.042","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102618","10.085","0.005","11.771","0.005","26.42","0.005","90","","90","","90","","3136","2","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 O2 P Ru -","- C33 H45 O2 P Ru -","- C132 H180 O8 P4 Ru4 -","4","1","","Carmichael, Duncan; Klankermayer, Jurgen; Ricard, Louis; Seeboth, Nicolas","Synthesis and resolution of the planar chirality of ester-functionalised phospharuthenocenes.","Chemical communications (Cambridge, England)","2004","","9","1144","1145","10.1039/b401088d","","","0.71069","MoKα","","0.057","0.0399","","","0.0844","0.0911","","","","","","1.039","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102619","10.4879","0.0011","18.8071","0.0019","10.7203","0.0011","90","","102.993","0.002","90","","2060.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Cl4 F2 N O5 Sn -","- C14 H19 Cl4 F2 N O5 Sn -","- C56 H76 Cl16 F8 N4 O20 Sn4 -","4","1","","Fawcett, John; Moralee, Andrew C; Percy, Jonathan M; Salafia, Vittoria; Vincent, Mark A; Hillier, Ian H","A surprising steric effect on a tandem cycloaddition/ring-opening reaction: rapid syntheses of difluorinated analogues of (hydroxymethyl)conduritols.","Chemical communications (Cambridge, England)","2004","","9","1062","1063","10.1039/b401245c","","","0.71073","MoKα","","0.0278","0.0254","","","0.0639","0.0651","","","","","","1.058","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102620","11.666","0.0009","8.0535","0.0006","18.3629","0.0014","90","","102.715","0.001","90","","1682.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br F2 N O5 -","- C14 H18 Br F2 N O5 -","- C56 H72 Br4 F8 N4 O20 -","4","1","","Fawcett, John; Moralee, Andrew C; Percy, Jonathan M; Salafia, Vittoria; Vincent, Mark A; Hillier, Ian H","A surprising steric effect on a tandem cycloaddition/ring-opening reaction: rapid syntheses of difluorinated analogues of (hydroxymethyl)conduritols.","Chemical communications (Cambridge, England)","2004","","9","1062","1063","10.1039/b401245c","","","0.71073","MoKα","","0.0417","0.0338","","","0.0888","0.0914","","","","","","0.993","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102621","7.0091","0.0008","11.5134","0.0013","14.9095","0.0017","90","","94.404","0.002","90","","1199.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br2 F4 O12 -","- C20 H18 Br2 F4 O12 -","- C40 H36 Br4 F8 O24 -","2","1","","Fawcett, John; Moralee, Andrew C; Percy, Jonathan M; Salafia, Vittoria; Vincent, Mark A; Hillier, Ian H","A surprising steric effect on a tandem cycloaddition/ring-opening reaction: rapid syntheses of difluorinated analogues of (hydroxymethyl)conduritols.","Chemical communications (Cambridge, England)","2004","","9","1062","1063","10.1039/b401245c","","","0.71073","MoKα","","0.0314","0.0294","","","0.0702","0.0708","","","","","","0.993","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102622","5.794","0.008","14.0776","0.0012","19.4686","0.0013","90","","90","","90","","1588","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","","Jeong, Nakcheol; Kim, Dong Hoon; Choi, Jun Hun","Desymmetrization of meso-dienyne by asymmetric Pauson-Khand type reaction catalysts.","Chemical communications (Cambridge, England)","2004","","9","1134","1135","10.1039/b401288g","","","0.71073","MoKα","","0.0516","0.049","","","0.1274","0.1298","","","","","","1.121","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102623","11.13","0.002","7.964","0.002","13.859","0.002","90","","106.16","0.02","90","","1179.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 N3 O3 S -","- C23 H35 N3 O3 S -","- C46 H70 N6 O6 S2 -","2","1","","Jeong, Nakcheol; Kim, Dong Hoon; Choi, Jun Hun","Desymmetrization of meso-dienyne by asymmetric Pauson-Khand type reaction catalysts.","Chemical communications (Cambridge, England)","2004","","9","1134","1135","10.1039/b401288g","","","0.71073","MoKα","","0.0524","0.0482","","","0.0995","0.1024","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102624","13.7541","0.0004","7.2352","0.0003","14.7958","0.0007","90","","90","","90","","1472.38","0.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H8 Cu3 N3 O4 -","- C13 H8 Cu3 N3 O4 -","- C52 H32 Cu12 N12 O16 -","4","1","","Kang, Yao; Yao, Yuan-Gen; Qin, Ye-Yan; Zhang, Jian; Chen, Yu-Biao; Li, Zhao-Ji; Wen, Yi-Hang; Cheng, Jian-Kai; Hu, Rui-Feng","A novel ligand-unsupported 3D framework polymer of trimeric copper(I) and its NLO property.","Chemical communications (Cambridge, England)","2004","","9","1046","1047","10.1039/b401345j","","","0.71073","MoKα","","0.0452","0.0352","","","0.0826","0.0906","","","","","","1.016","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102625","5.5376","0.0003","28.1637","0.0016","14.6134","0.0009","90","","91.337","0.001","90","","2278.5","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cu2 N6 -","- C9 H9 Cu2 N6 -","- C72 H72 Cu16 N48 -","8","2","","Huang, Xiao-Chun; Zhang, Jie-Peng; Lin, Yan-Yong; Yu, Xiao-Lan; Chen, Xiao-Ming","Two mixed-valence copper(I,II) imidazolate coordination polymers: metal-valence tuning approach for new topological structures.","Chemical communications (Cambridge, England)","2004","","9","1100","1101","10.1039/b401691b","","","0.71073","MoKα","","0.0424","0.035","","","0.0771","0.0804","","","","","","1.055","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102626","5.5367","0.0005","6.7153","0.0006","10.0436","0.0009","105.55","0.002","90.044","0.002","90.586","0.002","359.74","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 Cu3 N8 -","- C12 H12 Cu3 N8 -","- C12 H12 Cu3 N8 -","1","0.5","","Huang, Xiao-Chun; Zhang, Jie-Peng; Lin, Yan-Yong; Yu, Xiao-Lan; Chen, Xiao-Ming","Two mixed-valence copper(I,II) imidazolate coordination polymers: metal-valence tuning approach for new topological structures.","Chemical communications (Cambridge, England)","2004","","9","1100","1101","10.1039/b401691b","","","0.71073","MoKα","","0.0467","0.0446","","","0.1216","0.1228","","","","","","1.156","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102627","13.775","0.003","18.262","0.004","21.173","0.004","79.456","0.003","89.192","0.003","68.566","0.003","4866.1","1.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H105 O28 P3 S4 -","- C100 H105 O28 P3 S4 -","- C200 H210 O56 P6 S8 -","2","1","","Makha, Mohamed; Raston, Colin L; Sobolev, Alexandre N; White, Allan H","Exploiting phenyl embraces and pi-stacking in the assembly of arrays of tetraphenylphosphonium p-sulfonatocalix[4]arene.","Chemical communications (Cambridge, England)","2004","","9","1066","1067","10.1039/b402327g","","","0.71073","MoKα","","0.1419","0.0782","","","0.1837","0.2163","","","","","","1.027","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102628","13.562","0.002","15.255","0.002","23.895","0.003","73.796","0.002","87.726","0.002","85.04","0.002","4728.8","1.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H101 O26 P3 S4 -","- C100 H101 O26 P3 S4 -","- C200 H202 O52 P6 S8 -","2","1","","Makha, Mohamed; Raston, Colin L; Sobolev, Alexandre N; White, Allan H","Exploiting phenyl embraces and pi-stacking in the assembly of arrays of tetraphenylphosphonium p-sulfonatocalix[4]arene.","Chemical communications (Cambridge, England)","2004","","9","1066","1067","10.1039/b402327g","","","0.71073","MoKα","","0.1203","0.0657","","","0.1757","0.2149","","","","","","0.939","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102629","25.1896","0.0003","15.2357","0.0002","27.9532","0.0003","90","","106.679","0.0007","90","","10276.6","","173","","173","","","","","","","","?","8","P 1 21/n 1","-P 2yn","14","","","","- C78 H89.5 Ag5 B5 F20 N19.5 O Si4 -","- C78 H89.5 Ag5 B5 F20 N19.5 O Si4 -","- C312 H358 Ag20 B20 F80 N78 O4 Si16 -","4","1","","Constable, Edwin C; Housecroft, Catherine E; Neuburger, Markus; Reymann, Sebastien; Schaffner, Sylvia","Self-assembly of a novel pentanuclear centred-tetrahedral silver species.","Chemical communications (Cambridge, England)","2004","","9","1056","1057","10.1039/b402376e","","","0.71073","MoKα","","","0.0496","","","","0.051","","","","","","1.0127","","","","has coordinates","207076","2020-10-21","18:00:00",""
"7102630","29.312","0.004","15.887","0.002","16.428","0.002","90","","90","","90","","7650.2","1.7","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C44 H54 Cl12 Co N2 O17 -","- C44 Cl12 Co N2 O17 -","- C176 Cl48 Co4 N8 O68 -","4","0.5","","Jaume Veciana; Daniel Maspoch; Concepcio Rovira; Daniel Ruiz-Molina; Klaus Wurst","A new (63).(69.81) non-interpenetrated paramagnetic network with helical nanochannels based on a tricarboxylic perchlorotriphenylmethyl radical","Chemical communications (Cambridge, England)","2004","","10","1164","1165","10.1039/b315147f","","","0.71073","MoKα","","0.188","0.1363","","","0.3477","0.3783","","","","","","1.361","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102631","19.9186","0.0004","16.1616","0.0003","22.6453","0.0005","90","","91.4827","0.0006","90","","7287.5","0.3","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C85 H87 B2 N9 O6 -","- C85 H87 B2 N9 O6 -","- C340 H348 B8 N36 O24 -","4","1","","Kazuki Sada; Shigeru Sakamoto; Seiji Shinkai; Takahiro Sugimoto; Kentaro Yamaguchi","A one-dimentional array with controlled length from a PYBOX dimer with flexible oligo(sec-dialkylammonium cations)","Chemical communications (Cambridge, England)","2004","","10","1226","1227","10.1039/b316204d","","","1.5418","CuKα","","","0.0953","","","","0.2388","","","","","","2.652","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102632","17.3348","0.0003","18.0854","0.0002","20.7692","0.0001","106.913","0.001","100.585","0.001","105.849","0.001","5742.67","0.12","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H210 Cl24 Cu27 Er6 N20 Na2 O216 -","- C40 H76 Cl24 Cu27 Er6 N20 Na2 O216 -","- C40 H76 Cl24 Cu27 Er6 N20 Na2 O216 -","1","0.5","","Zhang, Jian-Jun; Xia, Sheng-Qing; Sheng, Tian-Lu; Hu, Sheng-Min; Leibeling, Guido; Meyer, Franc; Wu, Xin-Tao; Xiang, Sheng-Chang; Fu, Rui-Biao","A novel 2D net-like supramolecular polymer constructed from Ln6Cu24 node and trans-Cu(Gly)2 bridge","Chemical Communications (Cambridge, United Kingdom)","2004","","10","1186","1187","10.1039/b400447g","","","0.71073","MoKα","","","0.0735","","","0.148","0.1705","","","","","","1.146","","","","has coordinates","288005","2023-12-04","16:08:25",""
"7102633","20.027","0.001","12.241","0.001","25.895","0.001","90","","93.75","0.01","90","","6334.6","0.7","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H53 B Br Co F20 N4 -","- C68 H53 B Br Co F20 N4 -","- C272 H212 B4 Br4 Co4 F80 N16 -","4","1","","Gerhard Erker; Tobias Blomker; Roland Frohlich; Gerald Kehr; Nina Kleigrewe; Winfried Steffen","Generation of bis(imino)pyridine cobalt(I) cations under metal alkyl free conditions that polymerize ethene","Chemical communications (Cambridge, England)","2004","","10","1188","1189","10.1039/b401122h","","","0.71073","MoKα","","0.1081","0.0558","","","0.1138","0.1344","","","","","","1.008","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102634","9.3604","0.0002","23.4811","0.0005","9.7168","0.0002","90","","95.488","0.001","90","","2125.89","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H50 Br2 O7 P2 -","- C45 H50 Br2 O7 P2 -","- C90 H100 Br4 O14 P4 -","2","1","","Athanasia Dervisi; Cristina Carcedo; Ian A. Fallis; K.M Abdul Malik","A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate","Chemical communications (Cambridge, England)","2004","","10","1236","1237","10.1039/b401301h","","","0.71073","MoKα","","0.0761","0.0598","","","0.1435","0.1501","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102635","10.2793","0.0002","15.1367","0.0004","11.5954","0.0004","90","","100.701","0.0012","90","","1772.81","0.08","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H37 B F4 N3 O2 P2 Rh -","- C36 H37 B F4 N3 O2 P2 Rh -","- C72 H74 B2 F8 N6 O4 P4 Rh2 -","2","1","","Athanasia Dervisi; Cristina Carcedo; Ian A. Fallis; K.M Abdul Malik","A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate","Chemical communications (Cambridge, England)","2004","","10","1236","1237","10.1039/b401301h","","","0.71073","MoKα","","0.0345","0.0312","","","0.0698","0.0727","","","","","","1.029","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102636","11.5522","0.0009","14.0034","0.0011","15.4518","0.0014","90","","90","","90","","2499.6","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O2 P2 -","- C30 H28 O2 P2 -","- C120 H112 O8 P8 -","4","1","","Athanasia Dervisi; Cristina Carcedo; Ian A. Fallis; K.M Abdul Malik","A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate","Chemical communications (Cambridge, England)","2004","","10","1236","1237","10.1039/b401301h","","","0.71073","MoKα","","0.1324","0.0731","","","0.14","0.1602","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102637","9.312","0.0004","10.1516","0.0004","26.5195","0.0014","90","","90","","90","","2506.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O2 P2 -","- C30 H28 O2 P2 -","- C120 H112 O8 P8 -","4","1","","Athanasia Dervisi; Cristina Carcedo; Ian A. Fallis; K.M Abdul Malik","A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate","Chemical communications (Cambridge, England)","2004","","10","1236","1237","10.1039/b401301h","","","0.71073","MoKα","","0.0844","0.0588","","","0.1249","0.1368","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102638","13.6751","0.0002","22.3512","0.0002","22.6383","0.0003","90","","106","0.0005","90","","6651.47","0.14","150","","150","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C59.23 H74.45 Cl2.45 N7 O14 Re -","- C59.225 H75.1956 Cl2.45 N7 O14 Re -","- C236.9 H300.782 Cl9.8 N28 O56 Re4 -","4","1","","Curiel, David; Beer, Paul D; Paul, Rowena L; Cowley, Andrew; Sambrook, Mark R; Szemes, Fridrich","Halide anion directed assembly of luminescent pseudorotaxanes.","Chemical communications (Cambridge, England)","2004","","10","1162","1163","10.1039/b401900h","","","0.71073","MoKα","","0.1","0.0541","","0.0809","0.0604","0.0604","","","","","","1.0886","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102639","7.9974","0.0008","13.4826","0.0013","12.0227","0.0012","90","","94.671","0.002","90","","1292.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-4-bromophenyl-N'-4'-nitrophenylurea","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C52 H40 Br4 N12 O12 -","4","1","","George, Sumod; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C W; Nicoud, Jean-François","Crystal engineering of urea alpha-network via I...O2N synthon and design of SHG active crystal N-4-iodophenyl-N'-4'-nitrophenylurea.","Chemical communications (Cambridge, England)","2004","","10","1202","1203","10.1039/b402050b","","","0.71073","MoKα","","0.0809","0.0491","","","0.1381","0.1489","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102640","8.036","0.0005","13.3397","0.0008","11.8513","0.0007","90","","94.882","0.001","90","","1265.82","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-4-chlorophenyl-N'-4'-nitrophenylurea","","- C13 H10 Cl N3 O3 -","- C13 H10 Cl N3 O3 -","- C52 H40 Cl4 N12 O12 -","4","1","","George, Sumod; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C W; Nicoud, Jean-François","Crystal engineering of urea alpha-network via I...O2N synthon and design of SHG active crystal N-4-iodophenyl-N'-4'-nitrophenylurea.","Chemical communications (Cambridge, England)","2004","","10","1202","1203","10.1039/b402050b","","","0.71073","MoKα","","0.0666","0.0468","","","0.1357","0.1515","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102641","13.422","0.003","4.6511","0.0009","21.261","0.004","90","","94.97","0.03","90","","1322.3","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-4-ethynyl-N'-4'-nitrophenylurea","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","1","","George, Sumod; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C W; Nicoud, Jean-François","Crystal engineering of urea alpha-network via I...O2N synthon and design of SHG active crystal N-4-iodophenyl-N'-4'-nitrophenylurea.","Chemical communications (Cambridge, England)","2004","","10","1202","1203","10.1039/b402050b","","","0.71073","MoKα","","0.09","0.0475","","","0.1232","0.1729","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102642","13.552","0.003","4.6722","0.0009","21.377","0.006","90","","90.4","0.03","90","","1353.5","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-4-iodophenyl-N'-4'-nitrophenylurea","","- C13 H10 I N3 O3 -","- C13 H10 I N3 O3 -","- C52 H40 I4 N12 O12 -","4","1","","George, Sumod; Nangia, Ashwini; Lam, Chi-Keung; Mak, Thomas C W; Nicoud, Jean-François","Crystal engineering of urea alpha-network via I...O2N synthon and design of SHG active crystal N-4-iodophenyl-N'-4'-nitrophenylurea.","Chemical communications (Cambridge, England)","2004","","10","1202","1203","10.1039/b402050b","","","0.71073","MoKα","","0.0321","0.0288","","","0.0739","0.0774","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7102643","9.1683","0.0002","20.2115","0.0007","10.8752","0.0003","90","","101.599","0.002","90","","1974.08","0.1","120","1","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H54 F12 N4 P2 -","- C34 H54 F12 N4 P2 -","- C68 H108 F24 N8 P4 -","2","1","","Clavier, Hervé; Boulanger, Loïse; Audic, Nicolas; Toupet, Loïc; Mauduit, Marc; Guillemin, Jean-Claude","Design and synthesis of imidazolinium salts derived from (L)-valine. Investigation of their potential in chiral molecular recognition","Chemical Communications (Cambridge, United Kingdom)","2004","","10","1224","1225","10.1039/b402368d","","","0.71069","MoKα","","0.1321","0.0789","","","0.204","0.2449","","","","","","1.044","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7102644","16.7128","0.0008","16.7128","0.0008","13.9916","0.0011","90","","90","","90","","3908.1","0.4","140","2","140","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H32 B4 N4 O8 -","- C44 H32 B4 N4 O8 -","- C176 H128 B16 N16 O32 -","4","0.25","","N.Christinat; R.Scopelliti; K.Severin","A new method for the synthesis of boronate macrocycles","Chemical communications (Cambridge, England)","2004","","10","1158","1159","10.1039/b402510e","","","0.71073","MoKα","","0.0499","0.0347","","","0.0874","0.0943","","","","","","1.097","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102645","26.3143","0.0018","28.029","0.002","20.2248","0.0011","90","","90","","90","","14917.2","1.7","140","2","140","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C78.5 H86 B4 N8 O12 -","- C78.497 H86 B4 N8 O12 -","- C627.976 H688 B32 N64 O96 -","8","1","","N.Christinat; R.Scopelliti; K.Severin","A new method for the synthesis of boronate macrocycles","Chemical communications (Cambridge, England)","2004","","10","1158","1159","10.1039/b402510e","","","0.71073","MoKα","","0.0998","0.0625","","","0.1348","0.1498","","","","","","0.959","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102646","13.538","0.004","13.595","0.01","13.813","0.012","80.64","0.07","85.41","0.04","80.58","0.04","2471","3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 B4 F12 N4 O8 -","- C56 H28 B4 F12 N4 O8 -","- C112 H56 B8 F24 N8 O16 -","2","1","","N.Christinat; R.Scopelliti; K.Severin","A new method for the synthesis of boronate macrocycles","Chemical communications (Cambridge, England)","2004","","10","1158","1159","10.1039/b402510e","","","0.7107","MoKα","","0.2037","0.0774","","","0.181","0.2432","","","","","","0.814","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102647","15.0338","0.0011","15.0338","0.0011","16.512","0.002","90","","90","","120","","3231.9","0.6","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- Cd4 K6 Se13 Sn3 -","- Cd4 K6 Se13 Sn3 -","- Cd12 K18 Se39 Sn9 -","3","0.166667","","Mercouri Kanatzidis; Duck-Young Chung; Nan Ding","K6Cd4Sn3Se13: A polar open-framework compound based on the partially destroyed supertetrahedral [Cd4Sn4Se17]10- cluster","Chemical communications (Cambridge, England)","2004","","10","1170","1171","10.1039/b402686a","","","0.71073","MoKα","","0.0804","0.0453","","","0.1188","0.1344","","","","","","1.044","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102648","17.8009","0.0003","18.2756","0.0003","21.3141","0.0004","79.087","0.005","66.993","0.005","67.425","0.005","5887.1","0.2","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C238 H224 B3 Cu4 F15 N32 O18 S Zn4 -","- C238 H200 B3 Cu4 F15 N32 O18 S Zn4 -","- C238 H200 B3 Cu4 F15 N32 O18 S Zn4 -","1","0.5","","Jean-Marie Lehn; Nathalie Kyritsakas; A. Petitjean","Programmed Single Step Self-assembly of a [2x2] Grid Architecture Built on Metallic Centers of Different Coordination Geometries","Chemical communications (Cambridge, England)","2004","","10","1168","1169","10.1039/b402854f","","","0.71073","Mo-Kα","","0.243","0.105","","0.661","","0.137","","","10.909","","","1.264","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102649","12.406","0.003","22.388","0.006","22.576","0.006","116.385","0.006","95.147","0.006","96.653","0.006","5509","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C90.7 H79.05 F36 N24.35 P6 Ru3 -","- C90.7 H60 F36 N24.35 P6 Ru3 -","- C181.4 H120 F72 N48.7 P12 Ru6 -","2","1","","Polson, Matthew I J; Hanan, Garry S; Taylor, Nicholas J; Hasenknopf, Bernold; Thouvenot, René","The first solid state structure of a triruthenium polypyridyl complex.","Chemical communications (Cambridge, England)","2004","","11","1314","1315","10.1039/b401276c","","","0.71073","MoKα","","0.1667","0.0966","","","0.1848","0.197","","","","","","1.595","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102650","14.6087","0.0005","31.9021","0.0015","24.1559","0.001","90","","98.01","0.002","90","","11148","0.8","393","2","393","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 1","Compound 1","","- C57.5 H17.5 Cl4.5 F20 N4 O8 -","- C57.5 H17.5 Cl4.5 F20 N4 O8 -","- C460 H140 Cl36 F160 N32 O64 -","8","1","","Evans, Louise S; Gale, Philip A","Imide linked ""4 + 4"" macrocycles formed by condensation of isophthaloyl dichloride and tetra- or penta-fluoroaniline.","Chemical communications (Cambridge, England)","2004","","11","1286","1287","10.1039/b401614a","","","0.71073","MoKα","","0.1357","0.0846","","","0.2357","0.2759","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102651","17.9621","0.0005","13.2143","0.0003","23.3857","0.0006","90","","112.58","","90","","5125.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 2","Compound 2","","- C58 H23 F16 N5 O8 -","- C58 H23 F16 N5 O8 -","- C232 H92 F64 N20 O32 -","4","1","","Evans, Louise S; Gale, Philip A","Imide linked ""4 + 4"" macrocycles formed by condensation of isophthaloyl dichloride and tetra- or penta-fluoroaniline.","Chemical communications (Cambridge, England)","2004","","11","1286","1287","10.1039/b401614a","","","0.71073","MoKα","","0.082","0.0524","","","0.1344","0.1512","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102652","18.999","0.003","9.953","0.0018","19.111","0.006","90","","102.658","0.016","90","","3526","1.3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 O P Pd -","- C40 H48 O P Pd -","- C160 H192 O4 P4 Pd4 -","4","1","","Christmann, Ute; Vilar, Ramón; White, Andrew J P; Williams, David J","Synthesis of two novel dinuclear palladium(I) complexes and studies of their catalytic activity in amination reactions.","Chemical communications (Cambridge, England)","2004","","11","1294","1295","10.1039/b402283a","","","0.71073","MoKα","","0.1187","0.0627","","","0.119","0.1334","","","","","","0.969","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102653","16.195","0.003","8.037","0.002","34.199","0.009","90","","98.901","0.011","90","","4397.8","1.8","203","2","203","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H27 Br2 P Pd2 -","- C20 H27 Br2 P Pd2 -","- C160 H216 Br16 P8 Pd16 -","8","1","","Christmann, Ute; Vilar, Ramón; White, Andrew J P; Williams, David J","Synthesis of two novel dinuclear palladium(I) complexes and studies of their catalytic activity in amination reactions.","Chemical communications (Cambridge, England)","2004","","11","1294","1295","10.1039/b402283a","","","0.71073","MoKα","","0.1099","0.054","","","0.0909","0.1026","","","","","","0.943","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102654","9.276","0.002","15.907","0.009","15.125","0.004","90","","102.823","0.019","90","","2176.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl2 P Pd2 -","- C20 H27 Cl2 P Pd2 -","- C80 H108 Cl8 P4 Pd8 -","4","1","","Christmann, Ute; Vilar, Ramón; White, Andrew J P; Williams, David J","Synthesis of two novel dinuclear palladium(I) complexes and studies of their catalytic activity in amination reactions.","Chemical communications (Cambridge, England)","2004","","11","1294","1295","10.1039/b402283a","","","1.54178","CuKα","","0.0782","0.059","","","0.1469","0.1564","","","","","","1.02","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102655","7.877","0.001","8.9629","0.0011","8.9562","0.0011","111.926","0.003","96.722","0.003","110.575","0.003","526.24","0.11","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O7 -","- C10 H10 O7 -","- C20 H20 O14 -","2","1","","Dale, Sophie H; Elsegood, Mark R J; Richards, Simon J","Step-wise dis-assembly of trimesic acid: mono- and bis(methanol) solvates.","Chemical communications (Cambridge, England)","2004","","11","1278","1279","10.1039/b402922d","","","0.71073","MoKα","","0.0464","0.0388","","","0.11","0.114","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102656","3.7519","0.0009","9.579","0.002","17.732","0.004","91.206","0.006","91.881","0.006","93.998","0.005","635.2","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O8 -","- C11 H14 O8 -","- C22 H28 O16 -","2","1","","Dale, Sophie H; Elsegood, Mark R J; Richards, Simon J","Step-wise dis-assembly of trimesic acid: mono- and bis(methanol) solvates.","Chemical communications (Cambridge, England)","2004","","11","1278","1279","10.1039/b402922d","","","0.71073","MoKα","","0.0914","0.078","","","0.1767","0.1816","","","","","","1.227","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102657","7.5913","0.0009","7.5913","0.0009","7.5913","0.0009","90","","90","","90","","437.47","0.09","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- B2 F2 H8 N2 O8 P2 -","- B2 F2 H8 N2 O8 P2 -","- B4 F4 H16 N4 O16 P4 -","2","0.166667","","Li, Man-Rong; Liu, Wei; Ge, Ming-Hui; Chen, Hao-Hong; Yang, Xin-Xin; Zhao, Jing-Tai","NH4[BPO4F]: a novel open-framework ammonium fluorinated borophosphate with a zeolite-like structure related to gismondine topology.","Chemical communications (Cambridge, England)","2004","","11","1272","1273","10.1039/b402966f","","","0.71073","MoKα","","0.0539","0.0343","","","0.0644","0.0656","","","","","","0.854","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102658","12.821","0.001","18.266","0.002","18.629","0.002","114.96","0.01","105.5","0.01","95.5","0.01","3701.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","o-Me2-TTF(PPh2)2(Mo(CO)4)","","","- C36 H26 Mo O4 P2 S4 -","- C36 H26 Mo O4 P2 S4 -","- C144 H104 Mo4 O16 P8 S16 -","4","2","","Avarvari, Narcis; Fourmigué, Marc","First cation radical salt of a tetrathiafulvalene-based phosphine metal complex.","Chemical communications (Cambridge, England)","2004","","11","1300","1301","10.1039/b403168g","","","0.71073","MoKα","","0.0874","0.0371","","","0.0548","0.0623","","","","","","0.767","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102659","21.602","0.004","11.893","0.002","17.225","0.003","90","","91.68","0.03","90","","4423.4","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(o-Me2-TTF(PPh2)2(Mo(CO)4)2 Mo6O19","","","- C72 H52 Mo8 O27 P4 S8 -","- C72 H52 Mo8 O27 P4 S8 -","- C144 H104 Mo16 O54 P8 S16 -","2","0.5","","Avarvari, Narcis; Fourmigué, Marc","First cation radical salt of a tetrathiafulvalene-based phosphine metal complex.","Chemical communications (Cambridge, England)","2004","","11","1300","1301","10.1039/b403168g","","","0.71073","MoKα","","0.0522","0.0324","","","0.0695","0.0738","","","","","","0.913","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102660","11.734","0.001","6.327","0.001","40.956","0.002","90","","91.354","0.001","90","","3039.8","0.6","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 P2 -","- C40 H30 P2 -","- C160 H120 P8 -","4","1","","Cantat, Thibault; Mézailles, Nicolas; Maigrot, Nicole; Ricard, Louis; Le Floch, Pascal","Titanocene and zirconocene complexes of a phosphorus analog of an Arduengo's carbene: application in the synthesis of 1,3-diphosphafulvenes.","Chemical communications (Cambridge, England)","2004","","11","1274","1275","10.1039/b403436h","","","0.71069","MoKα","","0.0843","0.0552","","","0.1398","0.1561","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102661","10.067","0.001","12.325","0.001","13.669","0.001","72.22","0.001","77.59","0.001","80.8","0.001","1569.1","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 Cl2 P2 -","- C38 H36 Cl2 P2 -","- C76 H72 Cl4 P4 -","2","1","","Cantat, Thibault; Mézailles, Nicolas; Maigrot, Nicole; Ricard, Louis; Le Floch, Pascal","Titanocene and zirconocene complexes of a phosphorus analog of an Arduengo's carbene: application in the synthesis of 1,3-diphosphafulvenes.","Chemical communications (Cambridge, England)","2004","","11","1274","1275","10.1039/b403436h","","","0.71069","MoKα","","0.0486","0.0385","","","0.104","0.1104","","","","","","1.061","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102662","9.324","0.001","17.429","0.001","19.246","0.001","101.24","0.001","96.96","0.001","98.77","0.001","2994.8","0.4","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H28 O P2 -","- C40 H28 O P2 -","- C160 H112 O4 P8 -","4","2","","Cantat, Thibault; Mézailles, Nicolas; Maigrot, Nicole; Ricard, Louis; Le Floch, Pascal","Titanocene and zirconocene complexes of a phosphorus analog of an Arduengo's carbene: application in the synthesis of 1,3-diphosphafulvenes.","Chemical communications (Cambridge, England)","2004","","11","1274","1275","10.1039/b403436h","","","0.71069","MoKα","","0.0788","0.043","","","0.0946","0.1065","","","","","","0.997","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102663","13.849","0.005","10.384","0.003","27.673","0.009","90","","90.716","0.006","90","","3980","2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 B2 F N3 S2 -","- C46 H54 B2 F N3 S2 -","- C184 H216 B8 F4 N12 S8 -","4","1","","Solé, Stephané; Gabbaï, François P","A bidentate borane as colorimetric fluoride ion sensor.","Chemical communications (Cambridge, England)","2004","","11","1284","1285","10.1039/b403596h","","","0.71073","MoKα","","0.0893","0.0532","","","0.134","0.1577","","","","","","1.023","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102664","11.4184","0.0012","24.785","0.004","16.7968","0.0017","90","","106.345","0.008","90","","4561.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 Cl2 N6 O Zn2 -","- C48 H62 Cl2 N6 O Zn2 -","- C192 H248 Cl8 N24 O4 Zn8 -","4","1","","Sutton, Jonathan M; Rogerson, Eleanor; Wilson, Christopher J; Sparke, Amanda E; Archibald, Stephen J; Boyle, Ross W","Synthesis and structural characterisation of novel bimetallic dipyrromethene complexes: rotational locking of the 5-aryl group.","Chemical communications (Cambridge, England)","2004","","11","1328","1329","10.1039/b404147j","","","0.71073","MoKα","","0.1762","0.0477","","","0.097","0.1255","","","","","","0.697","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102665","12.9761","0.0019","8.9847","0.0008","19.804","0.003","90","","98.061","0.011","90","","2286.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 N6 O6 S2 Zn2 -","- C46 H58 N6 O6 S2 Zn2 -","- C92 H116 N12 O12 S4 Zn4 -","2","0.5","","Sutton, Jonathan M; Rogerson, Eleanor; Wilson, Christopher J; Sparke, Amanda E; Archibald, Stephen J; Boyle, Ross W","Synthesis and structural characterisation of novel bimetallic dipyrromethene complexes: rotational locking of the 5-aryl group.","Chemical communications (Cambridge, England)","2004","","11","1328","1329","10.1039/b404147j","","","0.71073","MoKα","","0.0987","0.0548","","","0.1381","0.1532","","","","","","0.878","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102666","8.7607","0.0013","10.7929","0.0015","21.794","0.003","88.98","0.003","89.572","0.003","80.703","0.003","2033.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Tris(5-acetyl-3-thienyl)methane (TATM)","Tris(5-acetyl-3-thienyl)methane (TATM)","","- C19 H20 O5 S3 -","- C19 H20 O5 S3 -","- C76 H80 O20 S12 -","4","2","","Sidhu, Paul S; Udachin, Konstantin A; Ripmeester, John A","Water and tris(5-acetyl-3-thienyl)methane (TATM) assemble into a one-dimensional channel compound.","Chemical communications (Cambridge, England)","2004","","12","1358","1359","10.1039/b315603F","","","0.7107","MoKα","","0.1206","0.0739","","","0.1827","0.2057","","","","","","0.956","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102667","23.31","0.004","22.415","0.004","9.8489","0.0016","90","","100.22","0.004","90","","5064.4","1.4","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","p-tert-butyl-calix(4)arene*hexafluorobenzene","p-tert-butyl-calix[4]arene*hexafluorobenzene","","- C56 H52 F12 O4 -","- C56 H52 F12 O4 -","- C224 H208 F48 O16 -","4","0.5","","Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A","Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes.","Chemical communications (Cambridge, England)","2004","","12","1360","1361","10.1039/b401269k","","","0.71073","MoKα","","0.1048","0.0638","","","0.1528","0.1759","","","","","","1.025","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102668","12.9108","0.001","13.4629","0.001","14.8239","0.0011","67.479","0.001","84.212","0.002","67.906","0.001","2202.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","p-tert-butyl-calix(4)arene*2,3,5,6-tetrafluorobenzene","p-tert-butyl-calix[4]arene*2,3,5,6-tetrafluorobenzene","","- C50 H58 F4 O4 -","- C50 H58 F4 O4 -","- C100 H116 F8 O8 -","2","1","","Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A","Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes.","Chemical communications (Cambridge, England)","2004","","12","1360","1361","10.1039/b401269k","","","0.71073","MoKα","","0.0986","0.0552","","","0.1289","0.148","","","","","","1.019","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102669","17.9842","0.0018","13.6634","0.0014","17.9165","0.0018","90","","90.262","0.002","90","","4402.5","0.8","273","2","273","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","p-tert-butyl-calix(4)arene*pentafluorobenzene","p-tert-butyl-calix[4]arene*pentafluorobenzene","","- C50 H57 F5 O4 -","- C50 H57 F5 O4 -","- C200 H228 F20 O16 -","4","1","","Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A","Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes.","Chemical communications (Cambridge, England)","2004","","12","1360","1361","10.1039/b401269k","","","0.71073","MoKα","","0.1293","0.0627","","","0.1377","0.1681","","","","","","0.936","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102670","12.6344","0.0009","13.5174","0.0009","12.6433","0.0009","90","","90.05","0.001","90","","2159.3","0.3","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","p-tert-butyl-calix(4)arene*1,3,4,5-tetrafluorobenzene","p-tert-butyl-calix[4]arene*1,3,4,5-tetrafluorobenzene","","- C50 H58 F4 O4 -","- C50 H58 F4 O4 -","- C100 H116 F8 O8 -","2","0.5","","Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A","Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes.","Chemical communications (Cambridge, England)","2004","","12","1360","1361","10.1039/b401269k","","","0.7107","MoKα","","0.0744","0.0543","","","0.131","0.1417","","","","","","1.015","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102671","18.0102","0.0008","13.1981","0.0006","18.0381","0.0008","90","","89.975","0.001","90","","4287.7","0.3","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","p-tert-butyl-calix(4)arene*fluorobenzene","p-tert-butyl-calix[4]arene*fluorobenzene","","- C25 H30.5 F0.5 O2 -","- C25 H30.5 F0.5 O2 -","- C200 H244 F4 O16 -","8","2","","Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A","Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes.","Chemical communications (Cambridge, England)","2004","","12","1360","1361","10.1039/b401269k","","","0.7107","MoKα","","0.1134","0.0644","","","0.1572","0.1894","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102672","12.8581","0.0002","12.8581","0.0002","13.2833","0.0003","90","","90","","90","","2196.14","0.07","293","2","293","2","","","","","","","","4","P 4/n :2","-P 4a","85","p-tert-butyl-calix(4)arene*fluorobenzene","p-tert-butyl-calix[4]arene*fluorobenzene","","- C50 H61 F O4 -","- C50 H61 F O4 -","- C100 H122 F2 O8 -","2","0.25","","Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A","Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes.","Chemical communications (Cambridge, England)","2004","","12","1360","1361","10.1039/b401269k","","","0.71073","MoKα","","0.068","0.0527","","","0.1475","0.1629","","","","","","1.027","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102673","17.91","0.002","13.4672","0.0017","17.84","0.002","90","","90.171","0.002","90","","4302.9","0.9","293","","293","","","","","","","","?","4","P 1 2/c 1","-P 2yc","13","","","","- C50 H59 F3 O4 -","- C50 H59 F3 O4 -","- C200 H236 F12 O16 -","4","1","","Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A","Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes.","Chemical communications (Cambridge, England)","2004","","12","1360","1361","10.1039/b401269k","","","0.71073","MoKα","","0.1018","0.0558","","0.1507","0.1376","0.1507","","","","","","0.7635","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102674","18.325","0.006","18.325","0.006","13.871","0.009","90","","90","","120","","4034","3","193","2","193","2","","","","","","","","8","P -3 m 1","-P 3 2""","164","","","","- C128 H136 B6 F18 N18 O20 Rh6 S6 -","- C114 H120 B6 N18 Rh6 -","- C114 H120 B6 N18 Rh6 -","1","0.0833333","","Kuhlman, Matthew L; Yao, Haijun; Rauchfuss, Thomas B","Synthesis and characterization of the hexagonal prismatic cage [THF[subset or is implied by][PhB(CN)(3)](6)[Cp*Rh](6)](6+).","Chemical communications (Cambridge, England)","2004","","12","1370","1371","10.1039/b401505c","","","0.71073","MoKα","","0.0559","0.0406","","","0.1313","0.1362","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7102675","11.6179","0.0017","14.376","0.002","16.327","0.002","94.691","0.003","91.172","0.003","112.93","0.002","2499","0.6","293","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H51 F6 N2 O3 P3 Ru -","- C55 H51 F6 N2 O3 P3 Ru -","- C110 H102 F12 N4 O6 P6 Ru2 -","2","1","","Hamidov, Hayrullo; Jeffery, John C; Lynam, Jason M","A nucleic acid base derivative tethered to a ruthenium carbene complex: hydrogen bonded dimers in both the solid state and solution?","Chemical communications (Cambridge, England)","2004","","12","1364","1365","10.1039/b402592j","","","0.71073","MoKα","","0.0725","0.0394","","","0.0729","0.0815","","","","","","0.942","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102676","6.3686","0.001","7.667","0.002","16.419","0.003","90","","99.6","0.02","90","","790.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 N O S6 -","- C12 H11 N O S6 -","- C24 H22 N2 O2 S12 -","2","1","","Réthoré, Céline; Fourmigue, Marc; Avarvari, Narcis","Tetrathiafulvalene based phosphino-oxazolines: a new family of redox active chiral ligands.","Chemical communications (Cambridge, England)","2004","","12","1384","1385","10.1039/b402877e","","","0.71073","MoKα","","0.2526","0.0787","","","0.1848","0.2504","","","","","","0.755","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102677","11.3583","0.0003","12.6818","0.0004","12.9393","0.0002","69.912","0.002","85.895","0.002","70.706","0.002","1650.28","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H24 Cl4 N O2 P Pd S6 -","- C25 H22 Cl4 N O2 P Pd S6 -","- C50 H44 Cl8 N2 O4 P2 Pd2 S12 -","2","1","","Réthoré, Céline; Fourmigue, Marc; Avarvari, Narcis","Tetrathiafulvalene based phosphino-oxazolines: a new family of redox active chiral ligands.","Chemical communications (Cambridge, England)","2004","","12","1384","1385","10.1039/b402877e","","","0.71073","MoKα","","0.07","0.0419","","","0.0882","0.0987","","","","","","1.043","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102678","49.675","0.004","13.4895","0.001","33.477","0.003","90","","122.132","0.007","90","","18996","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DTAg005","","","- C27 H30 Ag N7 O6 -","- C27 H27.7143 Ag N7 O6 -","- C756 H776 Ag28 N196 O168 -","28","3.5","","Turner, David R; Spencer, Elinor C; Howard, Judith A K; Tocher, Derek A; Steed, Jonathan W","A modular, self-assembled, separated ion pair binding system.","Chemical communications (Cambridge, England)","2004","","12","1352","1353","10.1039/b402882a","","","0.71073","MoKα","","0.0992","0.066","","","0.1593","0.1754","","","","","","1.049","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102679","7.1774","0.0005","16.793","0.0015","19.6054","0.0018","107.586","0.003","93.998","0.003","91.066","0.004","2245.2","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","dtag018","","","- C27 H26.67 Ag F3 N6 O5.33 S -","- C27 H26 Ag F3 N6 O5.33333 S -","- C81 H78 Ag3 F9 N18 O16 S3 -","3","1.5","","Turner, David R; Spencer, Elinor C; Howard, Judith A K; Tocher, Derek A; Steed, Jonathan W","A modular, self-assembled, separated ion pair binding system.","Chemical communications (Cambridge, England)","2004","","12","1352","1353","10.1039/b402882a","","","0.71073","MoKα","","0.0842","0.0566","","","0.1255","0.1417","","","","","","1.137","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102680","17.4146","0.0006","17.4146","0.0006","8.2655","0.0006","90","","90","","90","","2506.7","0.2","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C52 H52 Ag2 N12 O8 S -","- C52 H52 Ag2 N12 O8 S -","- C104 H104 Ag4 N24 O16 S2 -","2","0.25","","Turner, David R; Spencer, Elinor C; Howard, Judith A K; Tocher, Derek A; Steed, Jonathan W","A modular, self-assembled, separated ion pair binding system.","Chemical communications (Cambridge, England)","2004","","12","1352","1353","10.1039/b402882a","","","0.71073","MoKα","","0.0329","0.0307","","","0.0749","0.0761","","","","","","1.067","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102681","18.028","0.003","18.028","0.003","8.1143","0.0016","90","","90","","90","","2637.3","0.7","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","[Ni(TUP)4(H2O)2]SO4.2H2O","[Ni(TUP)4(H2O)2]SO4.2H2O","","- C52 H58 N12 Ni O12 S -","- C52 H58 N12 Ni O12 S -","- C104 H116 N24 Ni2 O24 S2 -","2","0.25","","Turner, David R; Hursthouse, M B; Light, M E; Steed, Jonathan W","Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML(4) systems.","Chemical communications (Cambridge, England)","2004","","12","1354","1355","10.1039/b402884h","","","0.71073","MoKα","","0.0822","0.0406","","","0.0847","0.0958","","","","","","1","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102682","18.07","0.003","18.07","0.003","8.0756","0.0016","90","","90","","90","","2636.9","0.7","173","2","173","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C52 H64 Co N12 O12 S -","- C52 H64 Co N12 O12 S -","- C104 H128 Co2 N24 O24 S2 -","2","0.25","","Turner, David R; Hursthouse, M B; Light, M E; Steed, Jonathan W","Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML(4) systems.","Chemical communications (Cambridge, England)","2004","","12","1354","1355","10.1039/b402884h","","","0.71073","MoKα","","0.0484","0.0429","","","0.1007","0.1018","","","","","","1.177","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102683","18.076","0.0005","18.076","0.0005","8.1208","0.0003","90","","90","","90","","2653.41","0.14","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","[Zn(TUP)4(H2O)2]SO4.2H2O","[Zn(TUP)4(H2O)2]SO4.2H2O","","- C52 H60 N12 O14 S Zn -","- C52 H60 N12 O14 S Zn -","- C104 H120 N24 O28 S2 Zn2 -","2","0.25","","Turner, David R; Hursthouse, M B; Light, M E; Steed, Jonathan W","Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML(4) systems.","Chemical communications (Cambridge, England)","2004","","12","1354","1355","10.1039/b402884h","","","0.71073","MoKα","","0.0997","0.0575","","","0.1454","0.1639","","","","","","1.036","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102684","17.846","0.003","17.846","0.003","8.3019","0.0017","90","","90","","90","","2644","0.8","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","[Cu(TUP)4(H2O)2]SO4.2H2O","[Cu(TUP)4(H2O)2]SO4.2H2O","","- C52 H56 Cu N12 O12 S -","- C52 H56 Cu N12 O12 S -","- C104 H112 Cu2 N24 O24 S2 -","2","0.25","","Turner, David R; Hursthouse, M B; Light, M E; Steed, Jonathan W","Linear distortion of octahedral metal centres by multiple hydrogen bonds in modular ML(4) systems.","Chemical communications (Cambridge, England)","2004","","12","1354","1355","10.1039/b402884h","","","0.71073","MoKα","","0.0603","0.047","","","0.1112","0.1196","","","","","","1.055","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102685","12.0844","0.0006","7.6585","0.0003","23.967","0.001","90","","95.888","0.002","90","","2206.4","0.2","213.2","","","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H38 B2 Cl4 F8 N2 Pd4 -","- C38 H38 B2 Cl4 F8 N2 Pd4 -","- C76 H76 B4 Cl8 F16 N4 Pd8 -","2","1","","Tatsumi, Yasuki; Naga, Tomoki; Nakashima, Hiromitsu; Murahashi, Tetsuro; Kurosawa, Hideo","Stepwise growth of polypalladium chains in 1,4-diphenyl-1,3-butadiene sandwich complexes.","Chemical communications (Cambridge, England)","2004","","12","1430","1431","10.1039/b403098b","","","0.7107","MoKα","","","0.0747","","","","0.0792","","","","","","1.191","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102686","17.981","0.002","12.556","0.005","26.639","0.005","90","","102.91","0.01","90","","5861","2","223.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H64 B2 Cl12 F48 Pd3 -","- C134 H84 B2 Cl12 F48 Pd5 -","- C268 H168 B4 Cl24 F96 Pd10 -","2","0.5","","Tatsumi, Yasuki; Naga, Tomoki; Nakashima, Hiromitsu; Murahashi, Tetsuro; Kurosawa, Hideo","Stepwise growth of polypalladium chains in 1,4-diphenyl-1,3-butadiene sandwich complexes.","Chemical communications (Cambridge, England)","2004","","12","1430","1431","10.1039/b403098b","","","0.7107","MoKα","","","0.0872","","","","0.081","","","","","","2.471","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102687","20.479","0.001","7.9523","0.0004","22.452","0.002","90","","114.108","0.002","90","","3337.4","0.4","213.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 B2 Cl2 F8 Pd2 -","- C68 H64 B2 Cl4 F8 Pd4 -","- C272 H256 B8 Cl16 F32 Pd16 -","4","0.5","","Tatsumi, Yasuki; Naga, Tomoki; Nakashima, Hiromitsu; Murahashi, Tetsuro; Kurosawa, Hideo","Stepwise growth of polypalladium chains in 1,4-diphenyl-1,3-butadiene sandwich complexes.","Chemical communications (Cambridge, England)","2004","","12","1430","1431","10.1039/b403098b","","","0.7107","MoKα","","","0.0578","","","","0.0674","","","","","","1.128","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102688","16.2215","0.0015","15.0254","0.0015","11.0397","0.0011","90","","114.858","0.004","90","","2441.5","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,2'-Bipyridine-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)","2,2'-Bipyridine-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)","","- C22 H24 B2 Fe N10 -","- C22 H24 B2 Fe N10 -","- C88 H96 B8 Fe4 N40 -","4","0.5","","Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M","Thermal and light induced polymorphism in iron(II) spin crossover compounds.","Chemical communications (Cambridge, England)","2004","","12","1390","1391","10.1039/b403179b","","","0.71073","MoKα","","0.0987","0.0521","","","0.0777","0.0886","","","","","","1.003","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102689","16.1373","0.0008","14.6208","0.0008","10.812","0.0006","90","","113.775","0.002","90","","2334.5","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,2'-Bipyridine-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)","2,2'-Bipyridine-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)","","- C22 H24 B2 Fe N10 -","- C22 H24 B2 Fe N10 -","- C88 H96 B8 Fe4 N40 -","4","0.5","","Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M","Thermal and light induced polymorphism in iron(II) spin crossover compounds.","Chemical communications (Cambridge, England)","2004","","12","1390","1391","10.1039/b403179b","","","0.71073","MoKα","","0.0951","0.0501","","","0.0856","0.0962","","","","","","0.994","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102690","16.1106","0.0011","14.5909","0.001","10.8281","0.0008","90","","113.895","0.003","90","","2327.2","0.3","30","2","30","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,2'-Bipyridine-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)","2,2'-Bipyridine-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)","","- C22 H24 B2 Fe N10 -","- C22 H24 B2 Fe N10 -","- C88 H96 B8 Fe4 N40 -","4","0.5","","Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M","Thermal and light induced polymorphism in iron(II) spin crossover compounds.","Chemical communications (Cambridge, England)","2004","","12","1390","1391","10.1039/b403179b","","","0.71073","MoKα","","0.0946","0.0491","","","0.0823","0.0935","","","","","","1.001","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102691","16.035","0.0009","14.9377","0.0009","11.047","0.0007","90","","114.986","0.002","90","","2398.4","0.2","30","2","30","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,2'-Bipyridine-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)","2,2'-Bipyridine-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)","","- C22 H24 B2 Fe N10 -","- C22 H24 B2 Fe N10 -","- C88 H96 B8 Fe4 N40 -","4","0.5","","Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M","Thermal and light induced polymorphism in iron(II) spin crossover compounds.","Chemical communications (Cambridge, England)","2004","","12","1390","1391","10.1039/b403179b","","","0.71073","MoKα","","0.1089","0.063","","","0.0969","0.1073","","","","","","1.06","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102692","17.3607","0.0016","16.0397","0.0014","10.5614","0.0009","90","","121.617","0.003","90","","2504.4","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,2'-Phenanthroline-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)","2,2'-Phenanthroline-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)","","- C24 H24 B2 Fe N10 -","- C24 H24 B2 Fe N10 -","- C96 H96 B8 Fe4 N40 -","4","0.5","","Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M","Thermal and light induced polymorphism in iron(II) spin crossover compounds.","Chemical communications (Cambridge, England)","2004","","12","1390","1391","10.1039/b403179b","","","0.71073","MoKα","","0.0813","0.0467","","","0.0919","0.1037","","","","","","1.019","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102693","11.673","0.0013","11.0458","0.0013","10.5651","0.0012","69.52","0.003","109.777","0.003","93.368","0.003","1198.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,2'-Phenanthroline-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)","2,2'-Phenanthroline-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)","","- C24 H24 B2 Fe N10 -","- C24 H24 B2 Fe N10 -","- C48 H48 B4 Fe2 N20 -","2","1","","Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M","Thermal and light induced polymorphism in iron(II) spin crossover compounds.","Chemical communications (Cambridge, England)","2004","","12","1390","1391","10.1039/b403179b","","","0.71073","MoKα","","0.1135","0.0628","","","0.1296","0.1473","","","","","","1.033","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102694","11.655","0.002","11.0156","0.0019","10.5664","0.0018","69.492","0.003","109.755","0.003","93.28","0.003","1192.9","0.4","30","2","30","2","","","","","","","","5","P -1","-P 1","2","2,2'-Phenanthroline-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)","2,2'-Phenanthroline-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)","","- C24 H24 B2 Fe N10 -","- C24 H24 B2 Fe N10 -","- C48 H48 B4 Fe2 N20 -","2","1","","Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M","Thermal and light induced polymorphism in iron(II) spin crossover compounds.","Chemical communications (Cambridge, England)","2004","","12","1390","1391","10.1039/b403179b","","","0.71073","MoKα","","0.0924","0.0545","","","0.0894","0.0983","","","","","","0.915","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102695","10.727","0.007","12.415","0.008","10.712","0.006","67.473","0.015","110.377","0.015","93.505","0.011","1231","1.3","30","2","30","2","","","","","","","","5","P -1","-P 1","2","2,2'-Phenanthroline-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)","2,2'-Phenanthroline-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)","","- C24 H24 B2 Fe N10 -","- C24 H24 B2 Fe N10 -","- C48 H48 B4 Fe2 N20 -","2","1","","Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M","Thermal and light induced polymorphism in iron(II) spin crossover compounds.","Chemical communications (Cambridge, England)","2004","","12","1390","1391","10.1039/b403179b","","","0.71073","MoKα","","0.1259","0.0798","","","0.162","0.1818","","","","","","1.014","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102696","11.556","0.006","5.16","0.002","14.189","0.007","90","","100.753","0.01","90","","831.1","0.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 F12 N2 O8 S4 Zn -","- C4 F12 N2 O8 S4 Zn -","- C8 F24 N4 O16 S8 Zn2 -","2","0.5","","Earle, Martyn J; Hakala, Ullastiina; McAuley, Barry J; Nieuwenhuyzen, Mark; Ramani, Alwar; Seddon, Kenneth R","Metal bis[trifluoromethyl)sulfonyl]amide complexes: highly efficient Friedel-Crafts acylation catalysts.","Chemical communications (Cambridge, England)","2004","","12","1368","1369","10.1039/b403650f","","","0.71073","MoKα","","0.1306","0.0664","","","0.1515","0.1892","","","","","","0.939","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102697","23.881","0.003","23.881","0.003","16.096","0.003","90","","90","","90","","9179","2","100","2","100","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C72 H122 Ni10 O27 -","- C72 H118 Ni10 O27 -","- C288 H472 Ni40 O108 -","4","0.125","","Shaw, Rachel; Tidmarsh, Ian S; Laye, Rebecca H; Breeze, Barbara; Helliwell, Madeleine; Brechin, Euan K; Heath, Sarah L; Murrie, Mark; Ochsenbein, Stefan; Gudel, Hans-Ulrich; McInnes, Eric J L","Supertetrahedral decametallic Ni(II) clusters directed by micro(6)-tris-alkoxides.","Chemical communications (Cambridge, England)","2004","","12","1418","1419","10.1039/b403876b","","","0.71073","MoKα","","0.0847","0.0814","","","0.2197","0.2213","","","","","","1.237","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102698","24.723","0.002","24.201","0.002","17.649","0.0015","90","","90","","90","","10559.6","1.5","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C106 H126 Ni10 O31 -","- C106 H128 Ni10 O31 -","- C424 H512 Ni40 O124 -","4","0.5","","Shaw, Rachel; Tidmarsh, Ian S; Laye, Rebecca H; Breeze, Barbara; Helliwell, Madeleine; Brechin, Euan K; Heath, Sarah L; Murrie, Mark; Ochsenbein, Stefan; Gudel, Hans-Ulrich; McInnes, Eric J L","Supertetrahedral decametallic Ni(II) clusters directed by micro(6)-tris-alkoxides.","Chemical communications (Cambridge, England)","2004","","12","1418","1419","10.1039/b403876b","","","0.71073","MoKα","","0.0735","0.0504","","","0.1416","0.1576","","","","","","1.03","","","","has coordinates,has disorder","180128","2020-10-21","18:00:00",""
"7102699","13.1572","0.0006","13.1572","0.0006","40.101","0.004","90","","90","","120","","6011.9","0.7","200","2","200","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H88 Na7 O64.5 Ru2 S6 W9 -","- C12 H36 Na4 O67.5 Ru2 S6 W9 -","- C36 H108 Na12 O202.5 Ru6 S18 W27 -","3","0.333333","","Bi, Lihua; Hussain, Firasat; Kortz, Ulrich; Sadakane, Masahiro; Dickman, Michael H","A novel isopolytungstate functionalized by ruthenium: [HW(9)O(33)Ru(II)(2)(dmso)(6)](7-).","Chemical communications (Cambridge, England)","2004","","12","1420","1421","10.1039/b403902e","","","0.71073","MoKα","","0.0446","0.0429","","","0.0992","0.1001","","","","","","1.101","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102700","11.39","0.004","19.073","0.006","17.675","0.005","90","","106.877","0.006","90","","3674.4","1.9","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 Lu N3 O Si -","- C37 H52 Lu N3 O Si -","- C148 H208 Lu4 N12 O4 Si4 -","4","1","","Cameron, Thomas M; Gordon, John C; Scott, Brian L; Tumas, William","C-H activation of a 2,2[prime or minute]-bipyridine ligand within (mono)pentamethylcyclopentadienyl lutetium complexes.","Chemical communications (Cambridge, England)","2004","","12","1398","1399","10.1039/b405039h","","","0.71073","MoKα","","0.0379","0.0326","","","0.0785","0.0796","","","","","","1.793","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102701","11.367","0.002","20.14","0.005","14.186","0.003","90","","98.178","0.004","90","","3214.6","1.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 Lu N2 O2 Si2 -","- C30 H30 Lu N2 O2 Si2 -","- C120 H120 Lu4 N8 O8 Si8 -","4","1","","Cameron, Thomas M; Gordon, John C; Scott, Brian L; Tumas, William","C-H activation of a 2,2[prime or minute]-bipyridine ligand within (mono)pentamethylcyclopentadienyl lutetium complexes.","Chemical communications (Cambridge, England)","2004","","12","1398","1399","10.1039/b405039h","","","0.71073","MoKα","","0.1409","0.0711","","","0.1155","0.1315","","","","","","1.256","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102702","7.752","0.002","6.3557","0.0014","12.991","0.003","90","","95.15","0.03","90","","637.5","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-dicianobutane 1,2-diiodotetrafluoroethane","","- C8 H8 F4 I2 N2 -","- C8 H8 F4 I2 N2 -","- C16 H16 F8 I4 N4 -","2","0.5","","Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea","Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding.","Chemical communications (Cambridge, England)","2004","","13","1492","1493","10.1039/b402305f","","","0.71073","MoKα","","0.0684","0.0464","","","0.0848","0.0904","","","","","","1.012","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102703","5.3349","0.0006","7.3918","0.0008","14.6816","0.0018","93.48","0.014","97.835","0.015","110.882","0.013","532.13","0.11","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","1,4-dicianobutane 1,6-diiodohexadecafluorooctane","","- C14 H8 F16 I2 N2 -","- C14 H8 F16 I2 N2 -","- C14 H8 F16 I2 N2 -","1","0.5","","Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea","Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding.","Chemical communications (Cambridge, England)","2004","","13","1492","1493","10.1039/b402305f","","","0.71073","MoKα","","0.0352","0.0332","","","0.078","0.0791","","","","","","1.199","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102704","5.2447","0.0005","7.9197","0.0006","9.6803","0.001","84.078","0.012","85.711","0.011","75.147","0.009","386.09","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","1,4-dicianobutane 1,4-diiodooctafluorobutane","1,4-dicianobutane 1,4-diiodooctafluorobutane","","- C10 H8 F8 I2 N2 -","- C10 H8 F8 I2 N2 -","- C10 H8 F8 I2 N2 -","1","0.5","","Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea","Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding.","Chemical communications (Cambridge, England)","2004","","13","1492","1493","10.1039/b402305f","","","0.71073","MoKα","","0.0201","0.0184","","","0.0441","0.0448","","","","","","1.068","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102705","5.3183","0.0008","7.0369","0.0011","13.415","0.002","75.865","0.008","86.012","0.012","71.855","0.009","462.63","0.12","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","1,4-dicianobutane 1,6-diiodododecafluorohexane","","- C12 H8 F12 I2 N2 -","- C12 H8 F12 I2 N2 -","- C12 H8 F12 I2 N2 -","1","0.5","","Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea","Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding.","Chemical communications (Cambridge, England)","2004","","13","1492","1493","10.1039/b402305f","","","0.71073","MoKα","","0.0446","0.0388","","","0.0909","0.1029","","","","","","1.137","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102706","7.8842","0.0008","6.3141","0.0006","17.377","0.002","90","","92.886","0.008","90","","863.96","0.16","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,6-dicianohexane 1,4-diiodooctafluorobutane","","- C12 H12 F8 I2 N2 -","- C12 H12 F8 I2 N2 -","- C24 H24 F16 I4 N4 -","2","0.5","","Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea","Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding.","Chemical communications (Cambridge, England)","2004","","13","1492","1493","10.1039/b402305f","","","0.71073","MoKα","","0.0419","0.0344","","","0.0702","0.0728","","","","","","1.091","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102707","5.2409","0.0006","9.7393","0.0009","10.3874","0.001","79.665","0.01","76.972","0.011","84.691","0.01","507.42","0.09","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","1,6-dicianohexane 1,6-diiodododecafluorohexane","","- C14 H12 F12 I2 N2 -","- C14 H12 F12 I2 N2 -","- C14 H12 F12 I2 N2 -","1","0.5","","Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea","Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding.","Chemical communications (Cambridge, England)","2004","","13","1492","1493","10.1039/b402305f","","","0.71073","MoKα","","0.0214","0.0195","","","0.0485","0.0489","","","","","","1.051","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102708","5.4008","0.0016","7.214","0.002","16.065","0.004","88.713","0.008","87.854","0.008","72.453","0.01","596.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1,6-dicianohexane 1,8-diiodohexadecafluorohexane","","- C16 H12 F16 I2 N2 -","- C16 H12 F16 I2 N2 -","- C16 H12 F16 I2 N2 -","1","0.5","","Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea","Metric engineering of perfluorocarbon-hydrocarbon layered solids driven by the halogen bonding.","Chemical communications (Cambridge, England)","2004","","13","1492","1493","10.1039/b402305f","","","0.71073","MoKα","","0.0431","0.0338","","","0.0699","0.0712","","","","","","0.876","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102709","22.384","0.005","20.718","0.004","12.077","0.002","90","","94.9","0.03","90","","5580.3","1.9","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 Pt -","- C20 H22 N2 O2 Pt -","- C240 H264 N24 O24 Pt12 -","12","3","","Che, Chi-Ming; Chan, Siu-Chung; Xiang, Hai-Feng; Chan, Michael C W; Liu, Yu; Wang, Yue","Tetradentate Schiff base platinum(II) complexes as new class of phosphorescent materials for high-efficiency and white-light electroluminescent devices.","Chemical communications (Cambridge, England)","2004","","13","1484","1485","10.1039/b402318h","","","0.71069","MoKα","","0.078","0.039","","","0.0811","0.0868","","","","","","0.788","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102710","10.307","0.003","11.881","0.003","10.056","0.003","107.2","0.02","115.02","0.02","75.17","0.02","1053.8","0.6","290.2","","290.2","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 B Br N6 Pd -","- C20 H24 B Br N6 Pd -","- C40 H48 B2 Br2 N12 Pd2 -","2","1","","Cámpora, Juan; Palma, Pilar; del Río, Diego; López, Jorge A; Valerga, Pedro","Reactivity of an anionic Pd(II) metallacycle with CH2X2 (X=Cl, Br, I): formal insertion of methylene into a Pd-C(aryl) bond.","Chemical communications (Cambridge, England)","2004","","13","1490","1491","10.1039/b403411b","","x-ray","0.7107","MoKalpha","","","0.0568","","","0.0671","","","","","2.597","2.597","","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102711","19.3906","0.0019","19.6881","0.0019","35.419","0.003","90","","91.916","0.002","90","","13514","2","164","2","164","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 B0 Co4 F0 N24 O8 -","- C80 H72 Co4 N24 O8 -","- C320 H288 Co16 N96 O32 -","4","1","","Hausmann, Julia; Brooker, Sally","Control of molecular architecture by use of the appropriate ligand isomer: a mononuclear ""corner-type"" versus a tetranuclear [2 x 2] grid-type cobalt(III) complex.","Chemical communications (Cambridge, England)","2004","","13","1530","1531","10.1039/b403905j","","","0.71073","MoKα","","0.118","0.0772","","","0.1982","0.2116","","","","","","0.983","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102712","11.6949","0.0008","19.2367","0.0014","22.1692","0.0016","90","","100.437","0.001","90","","4904.9","0.6","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 B3 Co F12 N12 O6 -","- C44 H52 B3 Co F12 N12 O6 -","- C176 H208 B12 Co4 F48 N48 O24 -","4","1","","Hausmann, Julia; Brooker, Sally","Control of molecular architecture by use of the appropriate ligand isomer: a mononuclear ""corner-type"" versus a tetranuclear [2 x 2] grid-type cobalt(III) complex.","Chemical communications (Cambridge, England)","2004","","13","1530","1531","10.1039/b403905j","","","0.71073","MoKα","","0.0621","0.0475","","","0.1158","0.1243","","","","","","1.04","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102713","7.118","0.0008","7.6777","0.0009","10.9461","0.0014","87.055","0.015","73.479","0.014","86.175","0.014","571.9","0.13","200","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H6 Cr O5 -","- C13 H6 Cr O5 -","- C26 H12 Cr2 O10 -","2","1","","Kündig, E Peter; Lomberget, Thierry; Bragg, Ryan; Poulard, Cyril; Bernardinelli, Gérald","Desymmetrization of a meso-diol complex derived from [Cr(CO)3(eta6-5,8-naphthoquinone)]: use of new diamine acylation catalysts.","Chemical communications (Cambridge, England)","2004","","13","1548","1549","10.1039/b404006f","","","0.71073","MoKα","","","0.043","","","","0.041","","","","","","1.55","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102714","5.4072","0.001","12.978","0.002","11.362","0.002","90","","90","","90","","797.4","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al5 Ge5 V2 -","- Al5 Ge5 V2 -","- Al20 Ge20 V8 -","4","0.25","","Wu, Xiuni; Bilc, Daniel; Mahanti, Subhendra D; Kanatzidis, Mercouri G","V2Al5Ge5: first ternary intermetallic in the V-Al-Ge system accessible in liquid aluminium.","Chemical communications (Cambridge, England)","2004","","13","1506","1507","10.1039/b404035j","","","0.71073","MoKα","","0.0828","0.0486","","","0.0895","0.0996","","","","","","1.064","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102715","10.732","0.001","11.6398","0.0011","13.985","0.0013","87.294","0.002","72.496","0.001","83.252","0.001","1654.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 Cl O5 Sb -","- C34 H42 Cl O5 Sb -","- C68 H84 Cl2 O10 Sb2 -","2","1","","Liu, Lihua; Zakharov, Lev N; Rheingold, Arnold L; Hanna, Tracy A","Synthesis and X-ray crystal structures of the first antimony and bismuth calixarene complexes.","Chemical communications (Cambridge, England)","2004","","13","1472","1473","10.1039/b404051a","","","0.71073","MoKα","","0.0368","0.0341","","","0.0908","0.0928","","","","","","1.019","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102716","12.58","0.006","12.58","0.006","16.127","0.01","90","","90","","90","","2552","2","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C24 H20 Fe K2 S4 -","- C24 H20 Fe K2 S4 -","- C96 H80 Fe4 K8 S16 -","4","0.25","","Yu, Xiao-Yan; Jin, Guo-Xin; Weng, Lin-Hong","Phenylthiolate as a sigma- and pi- donor ligand: synthesis of a 3-D organometallic coordination polymer [K2Fe(SPh)4]n.","Chemical communications (Cambridge, England)","2004","","13","1542","1543","10.1039/b404443f","","","0.71073","MoKα","","0.0493","0.0445","","","0.1235","0.1264","","","","","","1.449","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102717","13.3412","0.0015","11.6686","0.0015","24.183","0.003","90","","90","","90","","3764.6","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","-3,4-ethylenedithio-4'-(-3- pyridincarmaboyl)tetrathiafulvalene, tetrahydrofurane solvate.","-3,4-ethylenedithio-4'-(-3-pyridincarmaboyl)tetrathiafulvalene, tetrahydrofurane solvate.","","- C16 H14 N2 O1.5 S6 -","- C16 H10 N2 O1.5 S6 -","- C128 H80 N16 O12 S48 -","8","1","","Devic, Thomas; Batail, Patrick; Avarvari, Narcis","[2 + 2]Photocyclization in a single-crystal-to-single-crystal transformation of a TTF-amido-pyridine.","Chemical communications (Cambridge, England)","2004","","13","1538","1539","10.1039/b404482g","","","0.71073","MoKα","","0.0974","0.0598","","","0.1287","0.1461","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102718","14.3756","0.0013","11.1605","0.0007","22.9236","0.0019","90","","90","","90","","3677.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(-3,4-ethylenedithio-4'-(-3- pyridincarmaboyl)tetrathiafulvalene), tetrahydrofurane solvate.","bis(-3,4-ethylenedithio-4'-(-3-pyridincarmaboyl)tetrathiafulvalene), tetrahydrofurane solvate.","","- C32 H28 N4 O3 S12 -","- C32 H20 N4 O3 S12 -","- C128 H80 N16 O12 S48 -","4","0.5","","Devic, Thomas; Batail, Patrick; Avarvari, Narcis","[2 + 2]Photocyclization in a single-crystal-to-single-crystal transformation of a TTF-amido-pyridine.","Chemical communications (Cambridge, England)","2004","","13","1538","1539","10.1039/b404482g","","","0.71073","MoKα","","0.169","0.047","","","0.0903","0.108","","","","","","0.595","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102719","12.022","0.001","14.95","0.001","14.663","0.001","90","","94.869","0.002","90","","2625.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetrahydro-beta-carboline","","- C27 H30 Cl2 N2 O4 S -","- C27 H30 Cl2 N2 O4 S -","- C108 H120 Cl8 N8 O16 S4 -","4","2","","Karpov, Alexei S; Oeser, Thomas; Müller, Thomas J J","A novel one-pot four-component access to tetrahydro-beta-carbolines by a coupling-amination-aza-annulation-Pictet-Spengler sequence (CAAPS).","Chemical communications (Cambridge, England)","2004","","13","1502","1503","10.1039/b404559a","","","0.71073","MoKα","","0.0613","0.05","","","0.1069","0.1122","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102720","9.7774","0.0006","11.6322","0.0007","14.7974","0.0009","90","","90","","90","","1682.95","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F2 O4 -","- C17 H22 F2 O4 -","- C68 H88 F8 O16 -","4","1","","Audouard, Christophe; Barsukov, Igor; Fawcett, John; Griffith, Gerry A; Percy, Jonathan M; Pintat, Stéphane; Smith, Clive A","A stereodivergent asymmetric approach to difluorinated aldonic acids.","Chemical communications (Cambridge, England)","2004","","13","1526","1527","10.1039/b405067c","","","0.71073","MoKα","","0.0315","0.0298","","","0.0728","0.0735","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102721","11.5206","0.0015","5.7277","0.0007","15.792","0.002","90","","107.137","0.002","90","","995.8","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 F2 O8 -","- C19 H22 F2 O8 -","- C38 H44 F4 O16 -","2","1","","Audouard, Christophe; Barsukov, Igor; Fawcett, John; Griffith, Gerry A; Percy, Jonathan M; Pintat, Stéphane; Smith, Clive A","A stereodivergent asymmetric approach to difluorinated aldonic acids.","Chemical communications (Cambridge, England)","2004","","13","1526","1527","10.1039/b405067c","","","0.71073","MoKα","","0.0484","0.0413","","","0.0877","0.091","","","","","","0.954","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102722","36.81","0.003","15.7955","0.0012","12.1174","0.0009","90","","101.681","0.001","90","","6899.6","0.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H50 F24 N12 O P4 Ru2 -","- C72 H48 F24 N12 O P4 Ru2 -","- C288 H192 F96 N48 O4 P16 Ru8 -","4","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0348","0.0347","","","0.0849","0.0849","","","","","","1.158","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102723","12.9342","0.0013","17.6216","0.0018","31.042","0.003","90","","90","","90","","7075.2","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H54 F24 N12 O3 P4 Ru2 -","- C72 H48 F24 N12 O3 P4 Ru2 -","- C288 H192 F96 N48 O12 P16 Ru8 -","4","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0437","0.0324","","","0.0574","0.0586","","","","","","0.901","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102724","36.6813","0.0019","15.839","0.0008","12.1451","0.0006","90","","101.665","0.001","90","","6910.5","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H50 F24 N12 O Os2 P4 -","- C72 H48 F24 N12 O Os2 P4 -","- C288 H192 F96 N48 O4 Os8 P16 -","4","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0321","0.0313","","","0.0756","0.0766","","","","","","1.032","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102725","13.0513","0.001","17.769","0.0014","31.426","0.003","90","","90","","90","","7288","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H54 F24 N12 O3 Os2 P4 -","- C72 H48 F24 N12 O3 Os2 P4 -","- C288 H192 F96 N48 O12 Os8 P16 -","4","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.07","0.0503","","","0.0927","0.0989","","","","","","0.976","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102726","13.1694","0.0016","17.94","0.002","32.024","0.004","90","","90","","90","","7566.1","1.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H48 F24 N12 P4 Ru2 -","- C36 H24 F12 N6 P2 Ru -","- C288 H192 F96 N48 P16 Ru8 -","8","2","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0992","0.0401","","","0.0613","0.0667","","","","","","0.648","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102727","37.042","0.003","16.0714","0.0014","12.0759","0.001","90","","101.023","0.002","90","","7056.4","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 F12 N6 P2 Ru -","- C36 H24 F12 N6 P2 Ru -","- C288 H192 F96 N48 P16 Ru8 -","8","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0813","0.0517","","","0.1248","0.1369","","","","","","1.022","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102728","13.1878","0.0013","17.9354","0.0016","32.058","0.003","90","","90","","90","","7582.7","1.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H48 F24 N12 Os2 P4 -","- C36 H24 F12 N6 Os P2 -","- C288 H192 F96 N48 Os8 P16 -","8","2","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.1019","0.0553","","","0.1066","0.1211","","","","","","1.022","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102729","36.943","0.004","16.1178","0.0015","12.1037","0.0011","90","","100.993","0.002","90","","7074.7","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 F12 N6 Os P2 -","- C36 H24 F12 N6 Os P2 -","- C288 H192 F96 N48 Os8 P16 -","8","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0385","0.0312","","","0.0764","0.0793","","","","","","1.063","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102730","16.0856","0.0015","28.306","0.003","21.617","0.002","90","","102.189","0.002","90","","9621","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H200 N36 Ni8 O62 -","- C128 H136 N36 Ni8 O56.84 -","- C256 H272 N72 Ni16 O113.68 -","2","0.5","","Liu, Yunling; Kravtsov, Victor; Walsh, Rosa D; Poddar, Pankaj; Srikanth, Hariharan; Eddaoudi, Mohamed","Directed assembly of metal-organic cubes from deliberately predesigned molecular building blocks.","Chemical communications (Cambridge, England)","2004","","24","2806","2807","10.1039/b409459j","","","0.71073","MoKα","","0.1563","0.0961","","","0.2793","0.3106","","","","","","1.027","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102731","24.491","0.011","17.774","0.008","35.165","0.016","90","","94.92","0.008","90","","15251","12","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C266 H207 Ag8 Cl3 F48 N25 O8 P18 Sb8 -","- C266 H206 Ag8 Cl3 F48 N25 O8 P18 Sb8 -","- C532 H412 Ag16 Cl6 F96 N50 O16 P36 Sb16 -","2","0.5","","Zhang, Jianyong; Nieuwenhuyzen, Mark; Charmant, Jonathan P H; James, Stuart L","A discrete dimer of coordination clusters connected through additional bridging ligands.","Chemical communications (Cambridge, England)","2004","","24","2808","2809","10.1039/b409502b","","","0.71073","MoKα","","0.2502","0.1019","","","0.2543","0.3042","","","","","","1.23","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102732","15.042","0.011","18.36","0.018","27.523","0.018","91.76","0.07","94.76","0.06","102.59","0.07","7384","10","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C124 H111 Ag4 F24 N12 O8 P9 Sb4 -","- C124 H109 Ag4 F24 N12 O8 P9 Sb4 -","- C248 H218 Ag8 F48 N24 O16 P18 Sb8 -","2","1","","Zhang, Jianyong; Nieuwenhuyzen, Mark; Charmant, Jonathan P H; James, Stuart L","A discrete dimer of coordination clusters connected through additional bridging ligands.","Chemical communications (Cambridge, England)","2004","","24","2808","2809","10.1039/b409502b","","","0.71073","MoKα","","0.1596","0.0826","","","0.2197","0.2559","","","","","","1.244","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102733","10.4739","0.0004","12.6016","0.0005","15.5505","0.0006","86.071","0.001","79.162","0.001","83.78","0.001","2001.56","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ICMM7","","","- C12 H39 Ge13 N4 O31.5 -","- C12 H34 Ge13 N4 O31.5 -","- C24 H68 Ge26 N8 O63 -","2","1","","Medina, Manuela E; Gutiérrez-Puebla, Enrique; Monge, M Angeles; Snejko, Natalia","A germanium zeotype with a three-dimensional net of interconnected 14-, 12- and 12-ring channels. Ge13O26(OH)4[C6N2H16]2(H2O)1.5.","Chemical communications (Cambridge, England)","2004","","24","2868","2869","10.1039/b409668a","","","0.71073","MoKα","","0.0928","0.0485","","","0.1142","0.1242","","","","","","0.971","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102734","21.4185","0.001","16.5711","0.0008","22.8224","0.0011","90","","109.248","0.001","90","","7647.5","0.6","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37.5 F3 N2.5 O3 Rh S -","- C47 H37.5 F3 N2.5 O3 Rh S -","- C376 H300 F24 N20 O24 Rh8 S8 -","8","2","","Büttner, Torsten; Breher, Frank; Grützmacher, Hansjörg","Amine olefin rhodium(I) complexes: pKa and NH bond strength.","Chemical communications (Cambridge, England)","2004","","24","2820","2821","10.1039/b409981h","","","0.71073","MoKα","","0.0598","0.0492","","","0.1197","0.125","","","","","","1.082","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102735","35.519","0.002","35.519","0.002","12.8788","0.0015","90","","90","","90","","16248","2","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C52 H50 N2 O Rh -","- C52 H50 N2 O Rh -","- C832 H800 N32 O16 Rh16 -","16","2","","Büttner, Torsten; Breher, Frank; Grützmacher, Hansjörg","Amine olefin rhodium(I) complexes: pKa and NH bond strength.","Chemical communications (Cambridge, England)","2004","","24","2820","2821","10.1039/b409981h","","","0.71073","MoKα","","0.0668","0.0567","","","0.1181","0.1226","","","","","","1.083","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102736","11.8178","0.0006","13.8784","0.0007","23.1363","0.0012","79.678","0.001","79.478","0.001","65.283","0.001","3366.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Trimethoxy-(tris-(mu-(3-phenyl-kC)imine-kN)methyl-2-(3,5-di- tert-butyl)phenolate-kO)triboro'","Trimethoxy-[tris-[mu-(3-phenyl-kC)imine-kN]methyl-2-(3,5-di-tert- butyl)phenolate-kO)triboro'","","- C70 H92 B3 N3 O7 -","- C70 H92 B3 N3 O7 -","- C140 H184 B6 N6 O14 -","2","1","","Barba, Victor; Höpfl, Herbert; Farfán, Norberto; Santillan, Rosa; Beltran, Hiram I; Zamudio-Rivera, Luis S","Boron-nitrogen macrocycles: a new generation of calix[3]arenes.","Chemical communications (Cambridge, England)","2004","","24","2834","2835","10.1039/b410148k","","","0.71073","MoKα","","0.0937","0.0744","","","0.168","0.1784","","","","","","1.114","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102737","11.7903","0.0018","13.84","0.002","23.415","0.004","79.863","0.003","79.457","0.003","65.716","0.003","3402.3","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Trimethoxy-(tris-(mu-(3-phenyl-kC)imine-kN)methyl-2-(3,5-di- tert-butyl)phenolate-kO)triboro'","Trimethoxy-[tris-[mu-(3-phenyl-kC)imine-kN]methyl-2-(3,5-di-tert- butyl)phenolate-kO)triboro'","","- C69 H90 B3 N3 O8 -","- C69 H90 B3 N3 O8 -","- C138 H180 B6 N6 O16 -","2","1","","Barba, Victor; Höpfl, Herbert; Farfán, Norberto; Santillan, Rosa; Beltran, Hiram I; Zamudio-Rivera, Luis S","Boron-nitrogen macrocycles: a new generation of calix[3]arenes.","Chemical communications (Cambridge, England)","2004","","24","2834","2835","10.1039/b410148k","","","0.71073","MoKα","","0.2059","0.1286","","","0.2706","0.3146","","","","","","1.106","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102738","25.8615","0.0007","25.8615","0.0007","25.8615","0.0007","90","","90","","90","","17296.6","0.8","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Trimethoxy-(tris-(mu-(3-phenyl-kC)imine-kN)methyl-2-(3,5-di- tert-butyl)phenolate-kO)triboro'","Trimethoxy-[tris-[mu-(3-phenyl-kC)imine-kN]methyl-2-(3,5-di-tert- butyl)phenolate-kO)triboro'","","- C96 H111 B3 N3 O6 -","- C95.98 H111 B3 N3 O6 -","- C767.84 H888 B24 N24 O48 -","8","0.333333","","Barba, Victor; Höpfl, Herbert; Farfán, Norberto; Santillan, Rosa; Beltran, Hiram I; Zamudio-Rivera, Luis S","Boron-nitrogen macrocycles: a new generation of calix[3]arenes.","Chemical communications (Cambridge, England)","2004","","24","2834","2835","10.1039/b410148k","","","0.71073","MoKα","","0.1171","0.1111","","","0.22","0.2234","","","","","","1.26","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102739","25.6586","0.0013","25.6586","0.0013","25.6586","0.0013","90","","90","","90","","16892.7","1.5","273","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Trimethoxy-(tris-(mu-(3-phenyl-kC)imine-kN)methyl-2-(3,5-di- tert-butyl)phenolate-kO)triboro'","Trimethoxy-[tris-[mu-(3-phenyl-kC)imine-kN]methyl-2-(3,5-di-tert- butyl)phenolate-kO)triboro'","","- C77.33 H96 B2.67 N2.67 O10.67 -","- C77.36 H96 B2.66667 N2.66667 O10.6756 -","- C696.24 H864 B24 N24 O96.08 -","9","0.375","","Barba, Victor; Höpfl, Herbert; Farfán, Norberto; Santillan, Rosa; Beltran, Hiram I; Zamudio-Rivera, Luis S","Boron-nitrogen macrocycles: a new generation of calix[3]arenes.","Chemical communications (Cambridge, England)","2004","","24","2834","2835","10.1039/b410148k","","","0.71073","MoKα","","0.1079","0.1072","","","0.2334","0.2338","","","","","","1.229","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102740","12.7511","0.0002","15.9188","0.0003","16.78","0.0004","85.795","0.001","79.554","0.001","74.439","0.001","3225.72","0.11","173","2","150","2","","","","","","","","5","P -1","-P 1","2","[{(DABCO+2H+)} (p-sulfonatocalix[5]arene+H+)][DABCO+2H+].H2O9.25","","","- C50 H74.5 N5 O29.25 S5 -","- C50.01 H55.52 N5 O28.75 S5 -","- C100.02 H111.04 N10 O57.5 S10 -","2","1","","Dalgarno, Scott J; Hardie, Michaele J; Raston, Colin L","Conformation perturbation of p-sulfonatocalix[5]arene via complexation of 1,4-diazabicyclo[2.2.2]octane.","Chemical communications (Cambridge, England)","2004","","24","2802","2803","10.1039/b410242h","","","0.71073","MoKα","","0.1426","0.0977","","","0.2649","0.2862","","","","","","1.751","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102741","9.3086","0.0007","9.3086","0.0007","9.3086","0.0007","91.638","0.001","91.638","0.001","91.638","0.001","805.58","0.1","290","2","290","2","","","","","","","","7","R -3 m :R","-P 3* 2","166","chabazite","","","- Al3.39 Ca1.54 K0.32 Kr0.53 Na0.1 O24.52 Si8.61 -","- Al3.36 Ca1.534 K0.318 Kr0.5292 Na0.1 O24.384 Si8.64 -","- Al3.36 Ca1.534 K0.318 Kr0.5292 Na0.1 O24.384 Si8.64 -","1","0.0833333","","Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L","The dynamic desorption of krypton from the zeolite chabazite.","Chemical communications (Cambridge, England)","2004","","24","2796","2797","10.1039/b410366c","","","0.4795","","","0.0764","0.0572","","","0.1721","0.1769","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102742","9.2935","0.0007","9.2935","0.0007","9.2935","0.0007","91.604","0.001","91.604","0.001","91.604","0.001","801.71","0.1","140","2","140","2","","","","","","","","7","R -3 m :R","-P 3* 2","166","chabazite","","","- Al3.39 Ca1.54 K0.32 Kr1.06 Na0.1 O24.52 Si8.61 -","- Al3.36 Ca1.54 K0.32 Kr1.06 Na0.1 O24.546 Si8.64 -","- Al3.36 Ca1.54 K0.32 Kr1.06 Na0.1 O24.546 Si8.64 -","1","0.0833333","","Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L","The dynamic desorption of krypton from the zeolite chabazite.","Chemical communications (Cambridge, England)","2004","","24","2796","2797","10.1039/b410366c","","","0.4795","","","0.0696","0.0597","","","0.1721","0.1756","","","","","","1.152","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102743","9.2833","0.0007","9.2833","0.0007","9.2833","0.0007","91.617","0.001","91.617","0.001","91.617","0.001","799.06","0.1","190","2","180","2","","","","","","","","7","R -3 m :R","-P 3* 2","166","chabazite","","","- Al3.39 Ca1.54 K0.32 Kr1.05 Na0.1 O24.52 Si8.61 -","- Al3.36 Ca1.536 K0.314 Kr1.056 Na0.1 O24.462 Si8.64 -","- Al3.36 Ca1.536 K0.314 Kr1.056 Na0.1 O24.462 Si8.64 -","1","0.0833333","","Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L","The dynamic desorption of krypton from the zeolite chabazite.","Chemical communications (Cambridge, England)","2004","","24","2796","2797","10.1039/b410366c","","","0.4795","","","0.0695","0.0588","","","0.169","0.1724","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102744","9.2943","0.0007","9.2943","0.0007","9.2943","0.0007","91.625","0.001","91.625","0.001","91.625","0.001","801.89","0.1","240","2","240","2","","","","","","","","7","R -3 m :R","-P 3* 2","166","chabazite","","","- Al3.39 Ca1.54 K0.32 Kr0.87 Na0.1 O24.52 Si8.61 -","- Al3.36 Ca1.54 K0.316 Kr0.874 Na0.1 O24.474 Si8.64 -","- Al3.36 Ca1.54 K0.316 Kr0.874 Na0.1 O24.474 Si8.64 -","1","0.0833333","","Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L","The dynamic desorption of krypton from the zeolite chabazite.","Chemical communications (Cambridge, England)","2004","","24","2796","2797","10.1039/b410366c","","","0.4795","","","0.0673","0.0563","","","0.1678","0.1712","","","","","","1.159","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102745","9.2743","0.0007","9.2743","0.0007","9.2743","0.0007","91.597","0.001","91.597","0.001","91.597","0.001","796.76","0.1","100","2","100","2","","","","","","","","7","R -3 m :R","-P 3* 2","166","chabazite","","","- Al3.39 Ca1.54 K0.32 Kr1.15 Na0.1 O24.52 Si8.61 -","- Al3.36 Ca1.536 K0.316 Kr1.152 Na0.1 O24.54 Si8.64 -","- Al3.36 Ca1.536 K0.316 Kr1.152 Na0.1 O24.54 Si8.64 -","1","0.0833333","","Cork, S P; Cressey, G; Jones, R H; Teat, S J; Zholobenko, V L","The dynamic desorption of krypton from the zeolite chabazite.","Chemical communications (Cambridge, England)","2004","","24","2796","2797","10.1039/b410366c","","","0.4795","","","0.0956","0.0864","","","0.1937","0.1975","","","","","","1.155","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102746","13.5366","0.0013","11.6995","0.0012","15.7153","0.0015","90","","93.217","0.002","90","","2484.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 N2 O3 -","- C28 H40 N2 O3 -","- C112 H160 N8 O12 -","4","1","","Grasa, Gabriela A; Singh, Rohit; Scott, Natalie M; Stevens, Edwin D; Nolan, Steven P","Reactivity of a N-heterocyclic carbene, 1,3-di-(1-adamantyl) imidazol-2-ylidene, with a pseudo-acid: structural characterization of Claisen condensation adduct.","Chemical communications (Cambridge, England)","2004","","24","2890","2891","10.1039/b410986d","","","0.71073","MoKα","","0.039","0.0353","","","0.0961","0.099","","","","","","1.028","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102747","9.0589","0.0003","10.6824","0.0011","12.6458","0.0008","93.521","0.008","109.122","0.012","104.56","0.008","1105.17","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 B2 Fe2 N12 -","- C50 H42 B2 Fe2 N12 -","- C50 H42 B2 Fe2 N12 -","1","0.5","","Nakano, Keisaku; Kawata, Satoshi; Yoneda, Ko; Fuyuhiro, Akira; Yagi, Takashi; Nasu, Saburo; Morimoto, Syotaro; Kaizaki, Sumio","Direct two-step spin-crossover through [HS-HS]...[LS-LS] at the plateau in dinuclear diiron(II) complex [{Fe(NCBH3)(4phpy)}2(mu-bpypz)2].","Chemical communications (Cambridge, England)","2004","","24","2892","2893","10.1039/b411190g","","","0.71069","MoKα","","0.0758","0.0574","","","0.1603","0.1745","","","","","","1.009","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102748","9.3509","0.0002","14.9124","0.0001","17.1648","0.0004","99.612","0.001","94.551","0.001","98.174","0.001","2322.89","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 B2 Fe2 N12 -","- C50 H42 B2 Fe2 N12 -","- C100 H84 B4 Fe4 N24 -","2","1","","Nakano, Keisaku; Kawata, Satoshi; Yoneda, Ko; Fuyuhiro, Akira; Yagi, Takashi; Nasu, Saburo; Morimoto, Syotaro; Kaizaki, Sumio","Direct two-step spin-crossover through [HS-HS]...[LS-LS] at the plateau in dinuclear diiron(II) complex [{Fe(NCBH3)(4phpy)}2(mu-bpypz)2].","Chemical communications (Cambridge, England)","2004","","24","2892","2893","10.1039/b411190g","","","0.71069","MoKα","","0.1614","0.0739","","","0.147","0.1755","","","","","","0.997","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102749","9.4567","0.0002","10.7576","0.0006","13.1355","0.0005","92.519","0.006","108.793","0.009","105.71","0.005","1205.11","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 B2 Fe2 N12 -","- C50 H42 B2 Fe2 N12 -","- C50 H42 B2 Fe2 N12 -","1","0.5","","Nakano, Keisaku; Kawata, Satoshi; Yoneda, Ko; Fuyuhiro, Akira; Yagi, Takashi; Nasu, Saburo; Morimoto, Syotaro; Kaizaki, Sumio","Direct two-step spin-crossover through [HS-HS]...[LS-LS] at the plateau in dinuclear diiron(II) complex [{Fe(NCBH3)(4phpy)}2(mu-bpypz)2].","Chemical communications (Cambridge, England)","2004","","24","2892","2893","10.1039/b411190g","","","0.71069","MoKα","","0.0959","0.056","","","0.1445","0.1638","","","","","","1","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102750","12.5674","0.0014","13.0748","0.0014","13.2647","0.0014","62.261","0.011","69.342","0.012","67.485","0.012","1741","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","cis-(o-DMTTF)2(PPh)2, THF","","","- C32 H30 O P2 S8 -","- C32 H22 O P2 S8 -","- C64 H44 O2 P4 S16 -","2","1","","Avarvari, Narcis; Fourmigué, Marc","1,4-Dihydro-1,4-diphosphinine fused with two tetrathiafulvalenes.","Chemical communications (Cambridge, England)","2004","","24","2794","2795","10.1039/b412193g","","","0.71073","MoKα","","0.0737","0.0415","","","0.0925","0.1004","","","","","","0.822","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102751","20.573","0.003","14.086","0.002","14.0657","0.0015","90","","100.809","0.014","90","","4003.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","(cis-(o-DMTTF)2(PhPO)2)2(Mo6O19), 2H2O","","","- C56 H48 Mo6 O25 P4 S16 -","- C56 H44 Mo6 O25 P4 S16 -","- C112 H88 Mo12 O50 P8 S32 -","2","0.25","","Avarvari, Narcis; Fourmigué, Marc","1,4-Dihydro-1,4-diphosphinine fused with two tetrathiafulvalenes.","Chemical communications (Cambridge, England)","2004","","24","2794","2795","10.1039/b412193g","","","0.71073","MoKα","","0.1336","0.0786","","","0.1898","0.2227","","","","","","0.928","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102752","9.283","0.0007","5.5489","0.0005","18.4252","0.0014","90","","90.844","0.006","90","","948.99","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H32 O4 -","- C19 H32 O4 -","- C38 H64 O8 -","2","1","","Lincoln, Christopher M; White, James D; Yokochi, Alexandre F T","Stereochemistry of contiguous cyclopropane formation from cascade cyclization of a skipped dienyl homoallyl triflate.","Chemical communications (Cambridge, England)","2004","","24","2846","2847","10.1039/b412811g","","","1.54178","CuKα","","0.0818","0.0784","","","0.1933","0.1972","","","","","","1.031","","","","has coordinates,has disorder","180129","2020-10-21","18:00:00",""
"7102753","7.508","0.0003","8.634","0.0003","40.479","0.0015","90","","90","","90","","2624.01","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O9 -","- C26 H34 N2 O9 -","- C104 H136 N8 O36 -","4","1","","Lincoln, Christopher M; White, James D; Yokochi, Alexandre F T","Stereochemistry of contiguous cyclopropane formation from cascade cyclization of a skipped dienyl homoallyl triflate.","Chemical communications (Cambridge, England)","2004","","24","2846","2847","10.1039/b412811g","","","1.5418","CuKα","","0.0483","0.047","","","0.118","0.119","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102754","9.3324","0.0002","12.464","0.0002","13.5127","0.0002","66.7946","0.0008","84.4796","0.0007","86.4672","0.0008","1437.44","0.04","200","","200","","","","","","","","?","8","P -1","-P 1","2","","","","- C40 H56 B2 Hg N12 O10 S6 W2 -","- C40 H56 B2 Hg N12 O10 S6 W2 -","- C40 H56 B2 Hg N12 O10 S6 W2 -","1","0.5","","Dewhurst, Rian D; Hill, Anthony F; Willis, Anthony C","A mercury bis(tricarbido) complex: [Hg{C triple bond C-C triple bond W(CO)2Tp}2(dmso)4](dmso)2 (Tp = hydrotrispyrazolylborate).","Chemical communications (Cambridge, England)","2004","","24","2826","2827","10.1039/b412972e","","","0.71073","MoKα","","0.0446","0.0262","","0.0433","0.0288","0.0288","","","","","","1.127","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102755","38.1017","0.0005","38.1017","0.0005","8.1896","0.0001","90","","90","","120","","10296.3","0.2","200","","200","","","","","","","","?","7","R -3 :H","-R 3","148","","","","- C17 H19 B N6 O2 Si W -","- C17 H19 B N6 O2 Si W -","- C306 H342 B18 N108 O36 Si18 W18 -","18","1","","Dewhurst, Rian D; Hill, Anthony F; Willis, Anthony C","A mercury bis(tricarbido) complex: [Hg{C triple bond C-C triple bond W(CO)2Tp}2(dmso)4](dmso)2 (Tp = hydrotrispyrazolylborate).","Chemical communications (Cambridge, England)","2004","","24","2826","2827","10.1039/b412972e","","","0.71073","MoKα","","0.0347","0.0269","","0.0332","0.0282","0.0282","","","","","","1.1247","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102756","3.7343","0.0013","3.7343","0.0013","3.607","0.002","90","","90","","120","","43.56","0.03","150","2","150","2","","","","","","","synthesis as described","3","P 6/m m m","-P 6 2","191","Lithium Cobalt Nitride","","","- Co0.53 Li1.99 N -","- Co0.53 Li1.99 N -","- Co0.53 Li1.99 N -","1","0.0416667","","Gordon, Alexandra G; Smith, Ronald I; Wilson, Claire; Stoeva, Zlatka; Gregory, Duncan H","Crystal growth, defect structure and magnetism of new Li3N-derived lithium nitridocobaltates.","Chemical communications (Cambridge, England)","2004","","24","2812","2813","10.1039/b413022g","","","0.71073","MoKα","","0.0278","0.0278","","","0.0669","0.0669","","","","","","1.239","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102757","11.712","0.002","19.656","0.003","18.528","0.002","90","","97.821","0.01","90","","4225.7","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H63 Li N2 O P2 -","- C44 H63 Li N2 O P2 -","- C176 H252 Li4 N8 O4 P8 -","4","1","","Chivers, Tristram; Copsey, May C; Parvez, Masood","Formation of a chiral NPPN ligand via metallation of acyclic NPNCN systems.","Chemical communications (Cambridge, England)","2004","","24","2818","2819","10.1039/b413137a","","","0.71073","MoKα","","0.0836","0.0493","","","0.1253","0.1452","","","","","","1.011","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102758","9.5496","0.0019","13.51","0.003","29.73","0.006","90","","90","","90","","3835.5","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H53 Al N2 P2 -","- C39 H53 Al N2 P2 -","- C156 H212 Al4 N8 P8 -","4","1","","Chivers, Tristram; Copsey, May C; Parvez, Masood","Formation of a chiral NPPN ligand via metallation of acyclic NPNCN systems.","Chemical communications (Cambridge, England)","2004","","24","2818","2819","10.1039/b413137a","","","0.71073","MoKα","","0.084","0.0515","","","0.117","0.1359","","","","","","1.04","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7110271","22.2752","0.0015","11.5462","0.0008","23.4339","0.0016","90","","98.272","0.001","90","","5964.4","0.7","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Jeff*GeLi(OEt2)diox)2","","","- C64 H88 Ge2 Li2 O5 -","- C64 H88 Ge2 Li2 O5 -","- C256 H352 Ge8 Li8 O20 -","4","0.5","","Richards, Anne F.; Brynda, Marcin; Power, Philip P.","Effects of the alkali metal counter ions on the germanium?germanium double bond length in a heavier group 14 element ethenide salt","Chemical Communications","2004","","14","1592","1593","10.1039/b401507j","","","0.71073","MoKα","","0.0945","0.0491","","","0.1065","0.1212","","","","","","0.957","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110272","31.01","0.02","8.561","0.004","7.546","0.003","90","","100.65","0.05","90","","1968.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N10 O6 Zn -","- C6 H6 N5 O4 Zn0.5 -","- C48 H48 N40 O32 Zn4 -","8","1","","Facchetti, Antonio; Abbotto, Alessandro; Beverina, Luca; Bradamante, Silvia; Mariani, Palma; Stern, Charlotte L.; Marks, Tobin J.; Vacca, Alberto; Pagani, Giorgio A.","Novel coordinating motifs for lanthanide(iii) ions based on 5-(2-pyridyl)tetrazole and 5-(2-pyridyl-1-oxide)tetrazole. Potential new contrast agentsElectronic supplementary information (ESI) available: chelate analytical data, crystal structure of Zn(2?)2, potentiometric titrations, and relaxivity plots. See http://www.rsc.org/suppdata/cc/b4/b401919a/","Chemical Communications","2004","","15","1770","1771","10.1039/b401919a","","","0.71073","MoKα","","0.0711","0.0469","","","0.1108","0.1199","","","","","","1.105","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110273","7.847","0.003","39.783","0.007","9.092","0.003","90","","96.5","0.03","90","","2820.1","1.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Gd N15 O10 -","- C18 H12 Gd N15 O10 -","- C72 H48 Gd4 N60 O40 -","4","1","","Facchetti, Antonio; Abbotto, Alessandro; Beverina, Luca; Bradamante, Silvia; Mariani, Palma; Stern, Charlotte L.; Marks, Tobin J.; Vacca, Alberto; Pagani, Giorgio A.","Novel coordinating motifs for lanthanide(iii) ions based on 5-(2-pyridyl)tetrazole and 5-(2-pyridyl-1-oxide)tetrazole. Potential new contrast agentsElectronic supplementary information (ESI) available: chelate analytical data, crystal structure of Zn(2?)2, potentiometric titrations, and relaxivity plots. See http://www.rsc.org/suppdata/cc/b4/b401919a/","Chemical Communications","2004","","15","1770","1771","10.1039/b401919a","","","0.71073","MoKα","","0.0816","0.0762","","","0.1683","0.1702","","","","","","1.337","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110274","9.0273","0.0009","17.714","0.003","16.748","0.0019","90","","99.819","0.009","90","","2638.9","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Gd N15 O6.5 -","- C18 H22 Gd N15 O6.5 -","- C72 H88 Gd4 N60 O26 -","4","1","","Facchetti, Antonio; Abbotto, Alessandro; Beverina, Luca; Bradamante, Silvia; Mariani, Palma; Stern, Charlotte L.; Marks, Tobin J.; Vacca, Alberto; Pagani, Giorgio A.","Novel coordinating motifs for lanthanide(iii) ions based on 5-(2-pyridyl)tetrazole and 5-(2-pyridyl-1-oxide)tetrazole. Potential new contrast agentsElectronic supplementary information (ESI) available: chelate analytical data, crystal structure of Zn(2?)2, potentiometric titrations, and relaxivity plots. See http://www.rsc.org/suppdata/cc/b4/b401919a/","Chemical Communications","2004","","15","1770","1771","10.1039/b401919a","","","0.71073","MoKα","","0.0351","0.028","","","0.0681","0.0712","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110275","10.5","0.01","11.15","0.02","12.58","0.02","98.96","0.07","93.25","0.06","106.31","0.05","1388","4","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Br F3 N2 O3 S2 -","- C25 H24 Br F3 N2 O3 S2 -","- C50 H48 Br2 F6 N4 O6 S4 -","2","1","","Koyama, Emiko; Ishida, Takao; Tokuhisa, Hideo; Belaissaoui, Abdelhak; Nagawa, Yoshinobu; Kanesato, Masatoshi","STM-based molecular detection of ?catch-and-release? of protons for bipyridine bound to phenylene?ethynylene thiolElectronic supplementary information (ESI) available: cross sectional profiles of the STM images before and after the addition of TfOH. See http://www.rsc.org/suppdata/cc/b4/b402251c/","Chemical Communications","2004","","14","1626","1627","10.1039/b402251c","","","0.7107","MoKα","","","0.077","","","","0.146","","","","","","1.512","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110276","12.986","0.003","13.113","0.003","20.921","0.004","90.11","0.03","94.36","0.03","114.35","0.03","3234.1","1.5","293","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H38 Cl6 F36 Ir2 N3 O13 P6 -","- C29 H38 Cl6 F36 Ir2 N3 O13 P6 -","- C58 H76 Cl12 F72 Ir4 N6 O26 P12 -","2","1","","Veige, Adam S.; Nocera, Daniel G.","Water addition to a two-electron mixed-valence bimetallic center","Chemical Communications","2004","","17","1958","1959","10.1039/b402426e","","","0.71073","MoKα","","0.0886","0.0683","","","0.123","0.1293","","","","","","1.179","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110277","12.3142","0.0006","13.3025","0.0006","38.718","0.0018","89.246","0.001","84.503","0.001","65.721","0.001","5752.4","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H37 Cl F36 Ir2 N4 O13 P6 -","- C27 H35.5 Cl F36 Ir2 N4 O13 P6 -","- C108 H142 Cl4 F144 Ir8 N16 O52 P24 -","4","2","","Veige, Adam S.; Nocera, Daniel G.","Water addition to a two-electron mixed-valence bimetallic center","Chemical Communications","2004","","17","1958","1959","10.1039/b402426e","","","0.71073","MoKα","","0.0449","0.0394","","","0.0941","0.0967","","","","","","0.994","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110278","12.68","0.002","12.68","0.002","12.6287","0.0013","90","","90","","120","","1758.4","0.4","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C18 H48 Cl9 Cu3 N9 -","- C18 H51 Cl9 Cu3 N9 -","- C36 H102 Cl18 Cu6 N18 -","2","0.166667","","Seeber, Georg; K�gerler, Paul; Kariuki, Benson M.; Cronin, Leroy","Supramolecular assembly of ligand-directed triangular {CuII3Cl} clusters with spin frustration and spin-chain behaviourElectronic supplementary information (ESI) available: full synthetic and analytical details. See http://www.rsc.org/suppdata/cc/b4/b402487g/","Chemical Communications","2004","","14","1580","1581","10.1039/b402487g","","","0.71073","MoKα","","0.0838","0.0511","","","0.1104","0.1326","","","","","","1.155","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110279","12.6961","0.0002","12.6961","0.0002","12.6511","0.0002","90","","90","","120","","1766.04","0.05","200","2","200","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C18 H48 Br2 Cl7 Cu3 N9 -","- C18 H51 Br2 Cl7 Cu3 N9 -","- C36 H102 Br4 Cl14 Cu6 N18 -","2","0.166667","","Seeber, Georg; K�gerler, Paul; Kariuki, Benson M.; Cronin, Leroy","Supramolecular assembly of ligand-directed triangular {CuII3Cl} clusters with spin frustration and spin-chain behaviourElectronic supplementary information (ESI) available: full synthetic and analytical details. See http://www.rsc.org/suppdata/cc/b4/b402487g/","Chemical Communications","2004","","14","1580","1581","10.1039/b402487g","","","1.5418","CuKα","","0.062","0.0563","","","0.1805","0.1858","","","","","","1.089","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110280","28.019","0.003","28.019","0.003","28.019","0.003","90","","90","","90","","21997","4","223","2","223","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C84 H66 B3 Cu3 F12 N28 O5 -","- C84.24 H48 B3 Cu3 F12 N28.08 O4.998 -","- C673.92 H384 B24 Cu24 F96 N224.64 O39.984 -","8","0.0833333","","Dybtsev, Danil N.; Chun, Hyungphil; Kim, Kimoon","Three-dimensional metal?organic framework with (3,4)-connected net, synthesized from an ionic liquid mediumElectronic supplementary information (ESI) available: IR, XRD, TGA, details of data collection and structure refinements, as well as additional figures related to the framework. See http://www.rsc.org/suppdata/cc/b4/b403001j/","Chemical Communications","2004","","14","1594","1595","10.1039/b403001j","","","0.71073","MoKα","","0.1082","0.0966","","","0.2772","0.2993","","","","","","1.173","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110281","11.892","0.004","18.244","0.007","11.95","0.003","90","","64.19","0.02","90","","2334","1.4","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 Co N10 O7 -","- C42.02 H52 Co N10 O7 -","- C84.04 H104 Co2 N20 O14 -","2","0.5","","Kanegawa, Shinji; Karasawa, Satoru; Nakano, Motohiro; Koga, Noboru","Magnetic behavior of tetrakis[4-(N-tert-butyl-N-oxylamino)pyridine]bis(isocyanato-N)cobalt(II) in frozen solution","Chemical Communications (Cambridge, United Kingdom)","2004","","15","1750","1751","10.1039/b403524k","","","0.7107","MoKα","","","0.049","","","","0.14","","","","","","0.637","","","","has coordinates","275112","2022-05-06","15:34:43",""
"7110282","7.7348","0.0004","7.8387","0.0005","21.9084","0.0013","90","","90","","90","","1328.32","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","BEDO-TSeF","","","- C10 H8 O4 Se4 -","- C10 H8 O4 Se4 -","- C40 H32 O16 Se16 -","4","1","","Imakubo, Tatsuro; Shirahata, Takashi; Kibune, Megumi","Synthesis, crystal structure and electrochemical properties of bis(ethylenedioxy)tetraselenafulvalene (BEDO-TSeF)","Chemical Communications","2004","","14","1590","1591","10.1039/b403559c","","","0.71073","MoKα","","0.0444","0.0372","","","0.0943","0.0979","","","","","","1.054","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110283","28.678","0.003","20.6184","0.0013","16.8709","0.0016","90","","105.883","0.011","90","","9594.8","1.6","200","2","200","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Tetra(methanol)tetrapotassium (dotrikonta(\3-hydroxy)tetra(\- hydroxy) tetra(\-methoxy)dodecachlorooctakis-(N,N-bis-(2- carboxyethyl)glycinato)-pentaaquohexatrikontacopper(ii)potassium) chloride 16(methanol) solvate","Tetra(methanol)tetrapotassium [dotrikonta(\3-hydroxy)tetra(\-hydroxy) tetra(\-methoxy)dodecachlorooctakis-{N,N-bis-(2-carboxyethyl)glycinato}- pentaaquohexatrikontacopper(II)potassium] chloride 16(methanol) solvate","","- C88 H202 Cl13 Cu36 K5 N8 O113 -","- C84 H116 Cl13 Cu36 K5 N8 O120 -","- C168 H232 Cl26 Cu72 K10 N16 O240 -","2","0.25","","Murugesu, Muralee; Cl�rac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","A new type of oxygen bridged CuII36 aggregate formed around a central {KCl6}5? unitElectronic supplementary information (ESI) available: magnetic data as ? versus T and EPR data. See http://www.rsc.org/suppdata/cc/b4/b403735a/","Chemical Communications","2004","","14","1598","1599","10.1039/b403735a","","","0.71073","MoKα","","0.1862","0.1081","","","0.2612","0.3338","","","","","","1.023","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110284","17.2684","0.0013","17.3396","0.0013","18.421","0.0013","75.531","0.001","70.208","0.001","79.806","0.001","4999.4","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","(dotrikonta(mu3-hydroxy)penta(mu-hydroxy)tri(mu-methoxy) tetrachloro-octakis-(N,N-bis-(2-carboxyethyl)glycinato)-tetraaquo- hexatrikontacopper(ii))(hendecachlorotriaquo pentapotassiumdicopper(i)) 22(methanol) solvate","[dotrikonta(μ3-hydroxy)penta(μ-hydroxy)tri(μ-methoxy) tetrachloro-octakis-{N,N-bis-(2-carboxyethyl)glycinato}- tetraaquo-hexatrikontacopper(II)][hendecachlorotriaquo pentapotassiumdicopper(I)] 22(methanol) solvate","","- C89 H228 Cl15 Cu38 K5 N8 O117 -","- C79 H128 Cl15 Cu38 K5 N8 O118 -","- C79 H128 Cl15 Cu38 K5 N8 O118 -","1","0.5","","Murugesu, Muralee; Cl�rac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","A new type of oxygen bridged CuII36 aggregate formed around a central {KCl6}5? unitElectronic supplementary information (ESI) available: magnetic data as ? versus T and EPR data. See http://www.rsc.org/suppdata/cc/b4/b403735a/","Chemical Communications","2004","","14","1598","1599","10.1039/b403735a","","","0.71073","MoKα","","0.154","0.0639","","","0.1416","0.1622","","","","","","0.982","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110285","21.6325","0.0003","21.6325","0.0003","48.8452","0.0012","90","","90","","120","","19795.5","0.6","150","1","150","1","","","","","","","","10","R -3 :H","-R 3","148","","","","- C230 H180 F6 Ir6 N6 O12 P12 Re6 S2 Te8 -","- C228 H180 Ir6 N6 O6 P12 Re6 Te8 -","- C684 H540 Ir18 N18 O18 P36 Re18 Te24 -","3","0.166667","","Kim, Youngmee; Kim, Sehye; Kim, Sung-Jin; Lee, Myung Ki; Kim, Mieock; Lee, Hyungeui; Chin, Chong Shik","[Re6Te8(CN)6][{Ir(CO)(PPh3)2}6](OTf)2 : a new Re6 cluster-supported iridium(i) compound","Chemical Communications","2004","","15","1692","1693","10.1039/b403995e","","","0.71073","MoKα","","0.0861","0.0591","","","0.1839","0.2042","","","","","","1.371","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110286","10.502","0.0005","11.012","0.0005","25.211","0.0012","90","","90","","90","","2915.6","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H30 Cl2 N4 -","- C34 H30 Cl2 N4 -","- C136 H120 Cl8 N16 -","4","1","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71073","MoKα","","0.054","0.0448","","","0.0901","0.0933","","","","","","1.067","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110287","11.1477","0.0007","20.9731","0.0013","14.006","0.0008","90","","113.242","0.002","90","","3008.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Br2 N4 -","- C34 H30 Br2 N4 -","- C136 H120 Br8 N16 -","4","1","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71073","MoKα","","0.1996","0.0845","","","0.1859","0.2282","","","","","","1.039","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110288","10.506","0.0006","11.5012","0.0007","25.6373","0.0016","80.325","0.001","81.325","0.001","89.425","0.001","3018.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","CLB Macdonald for JAC Clyburne - DD1","","- C37 H34 F N4 -","- C37 H34 F N4 -","- C148 H136 F4 N16 -","4","2","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71073","MoKα","","0.0992","0.077","","","0.1807","0.1929","","","","","","1.069","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110289","9.7936","0.0006","10.0529","0.0007","16.2514","0.001","75.765","0.001","79.711","0.001","64.321","0.001","1392.95","0.16","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 N4 -","- C34 H32 N4 -","- C68 H64 N8 -","2","1","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71073","MoKα","","0.0702","0.0532","","","0.1485","0.1622","","","","","","1.033","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110290","11.049","0.0006","18.8681","0.001","19.8287","0.001","90","","90","","90","","4133.8","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N4 -","- C24 H28 N4 -","- C192 H224 N32 -","8","1","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71069","MoKα","","0.1237","0.06","","","0.1244","0.1495","","","","","","1.006","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110291","9.4223","0.0006","15.6479","0.001","16.088","0.001","79.44","0.001","82.291","0.001","74.594","0.001","2238.9","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H56 N8 -","- C52 H56 N8 -","- C104 H112 N16 -","2","1","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71069","MoKα","","0.1587","0.065","","","0.1357","0.1699","","","","","","0.946","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110292","8.6383","0.0004","10.1038","0.0005","15.5131","0.0007","90","","90","","90","","1353.98","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 N2 S2 -","- C16 H10 N2 S2 -","- C64 H40 N8 S8 -","4","1","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71073","MoKα","","0.0538","0.0482","","","0.0936","0.0974","","","","","","1.211","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110293","15.7843","0.0015","20.861","0.002","17.8375","0.0017","90","","93.678","0.002","90","","5861.4","1","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59.56 H85.57 B La N O4.57 P Si2 -","- C59.552 H85.552 B La N O4.552 P Si2 -","- C238.208 H342.208 B4 La4 N4 O18.208 P4 Si8 -","4","1","","Izod, Keith; Liddle, Stephen T.; Clegg, William","Protonation of a lanthanum phosphide-alkyl occurs at the P?La not the C?La bond: isolation of a cationic lanthanum alkyl complex","Chemical Communications","2004","","15","1748","1749","10.1039/b404188g","","","0.71073","MoKα","","0.1058","0.079","","","0.1694","0.1809","","","","","","1.131","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110294","13.368","0.004","13.368","0.004","9.647","0.006","90","","90","","90","","1724","1.3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","(5,10,15,20-tetraphenyl-2-aza-21-carba- porphyrinato)(water)cobalt(iii)","(5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato)(water)cobalt(III)","","- C44 H30 Co N4 O -","- C44 H36 Co N4 O -","- C88 H72 Co2 N8 O2 -","2","0.125","","Harvey, John D.; Ziegler, Christopher J.","Dianionic and trianionic macrocycles in cobalt N-confused porphyrin complexesElectronic supplementary information (ESI) available: Absorption spectra for 1, 2 and 4. See http://www.rsc.org/suppdata/cc/b4/b404261a/","Chemical Communications","2004","","14","1666","1667","10.1039/b404261a","","","0.71073","MoKα","","0.1554","0.0908","","","0.2302","0.2659","","","","","","0.964","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110295","12.103","0.003","16.031","0.004","16.39","0.004","91.296","0.004","102.294","0.004","109.626","0.004","2911.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(2-aza-21-carba-5,10,15,20- tetraphenylporphyrinato)Cobalt(iii) PPh3","(2-aza-21-carba-5,10,15,20-tetraphenylporphyrinato)Cobalt(III) PPh3","","- C64 H47 Cl4 Co2 N7 O9 P -","- C63 H45 Cl2 Co2 N7 O9 P -","- C126 H90 Cl4 Co4 N14 O18 P2 -","2","1","","Harvey, John D.; Ziegler, Christopher J.","Dianionic and trianionic macrocycles in cobalt N-confused porphyrin complexesElectronic supplementary information (ESI) available: Absorption spectra for 1, 2 and 4. See http://www.rsc.org/suppdata/cc/b4/b404261a/","Chemical Communications","2004","","14","1666","1667","10.1039/b404261a","","","0.71073","MoKα","","0.0727","0.064","","","0.1743","0.1814","","","","","","1.061","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110296","14.5294","0.0019","15.1545","0.0019","15.4","0.002","70.304","0.002","63.161","0.002","73.503","0.002","2813.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(2-aza-21-carba-5,10,15,20- tetraphenylporphyrinato)Cobalt(iii) PPH3","(2-aza-21-carba-5,10,15,20-tetraphenylporphyrinato)Cobalt(III) PPH3","","- C69 H51 Co2 N7 O9 P -","- C69 H51 Co2 N7 O9 P -","- C138 H102 Co4 N14 O18 P2 -","2","1","","Harvey, John D.; Ziegler, Christopher J.","Dianionic and trianionic macrocycles in cobalt N-confused porphyrin complexesElectronic supplementary information (ESI) available: Absorption spectra for 1, 2 and 4. See http://www.rsc.org/suppdata/cc/b4/b404261a/","Chemical Communications","2004","","14","1666","1667","10.1039/b404261a","","","0.71073","MoKα","","0.0972","0.0736","","","0.1883","0.1963","","","","","","1.02","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110297","10.664","0.003","14.584","0.004","16.371","0.005","112.333","0.004","96.324","0.005","91.474","0.005","2334.4","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(5,10,15,20-tetraphenyl-2-aza-21-carba- porphyrinato)(bispyridine)cobalt(iii)","(5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato)(bispyridine)cobalt(III)","","- C54 H38 Co N6 -","- C54 H38 Co N6 -","- C108 H76 Co2 N12 -","2","1","","Harvey, John D.; Ziegler, Christopher J.","Dianionic and trianionic macrocycles in cobalt N-confused porphyrin complexesElectronic supplementary information (ESI) available: Absorption spectra for 1, 2 and 4. See http://www.rsc.org/suppdata/cc/b4/b404261a/","Chemical Communications","2004","","14","1666","1667","10.1039/b404261a","","","0.71073","MoKα","","0.0904","0.0808","","","0.221","0.2295","","","","","","0.958","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110298","21.79","0.003","21.79","0.003","12.02","0.002","90","","90","","120","","4942.5","1.3","298","2","298","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C84 H63 Ag8 N21 O10 -","- C84 H63 Ag8 N21 O10 -","- C168 H126 Ag16 N42 O20 -","2","0.166667","","Yang, Guang; Raptis, Raphael G.","A robust, porous, cationic silver(i) 3,5-diphenyl-1,2,4-triazolate framework with a uninodal 49.66 netElectronic supplementary information (ESI) available: experimental details, XPRD patterns, TGA curves and IR spectra. See http://www.rsc.org/suppdata/cc/b4/b404269g/","Chemical Communications","2004","","18","2058","2059","10.1039/b404269g","","","0.71073","MoKα","","0.1616","0.0655","","","0.1626","0.201","","","","","","0.923","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110299","21.599","0.003","21.599","0.003","12.196","0.002","90","","90","","120","","4927.4","1.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C84 H60 Ag8 B2 F8 N18 -","- C84 H60 Ag8 B F4 N18 -","- C168 H120 Ag16 B2 F8 N36 -","2","0.166667","","Yang, Guang; Raptis, Raphael G.","A robust, porous, cationic silver(i) 3,5-diphenyl-1,2,4-triazolate framework with a uninodal 49.66 netElectronic supplementary information (ESI) available: experimental details, XPRD patterns, TGA curves and IR spectra. See http://www.rsc.org/suppdata/cc/b4/b404269g/","Chemical Communications","2004","","18","2058","2059","10.1039/b404269g","","","0.71073","MoKα","","0.1073","0.0533","","","0.157","0.1841","","","","","","1.016","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110300","21.52","0.02","9.645","0.007","6.643","0.006","90","","90","","90","","1379","2","276","1","276","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C40 H64 N16 O24 -","4","1","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song","Cyclic water pentamer in a tape-like structure","Chemical Communications","2004","","19","2220","2221","10.1039/b404364b","","","0.71073","MoKα","","0.1117","0.0766","","","0.1925","0.2296","","","","","","0.964","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110301","21.519","0.003","9.5841","0.0009","6.5759","0.0005","90","","90","","90","","1356.2","0.3","90","1","90","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C40 H64 N16 O24 -","4","1","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song","Cyclic water pentamer in a tape-like structure","Chemical Communications","2004","","19","2220","2221","10.1039/b404364b","","","0.71073","MoKα","","0.0771","0.055","","","0.123","0.1353","","","","","","0.96","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110302","21.483","0.003","9.5933","0.0014","6.5701","0.001","90","","90","","90","","1354.1","0.3","90","1","90","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H8 D8 N4 O6 -","- C10 H8 D8 N4 O6 -","- C40 H32 D32 N16 O24 -","4","1","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song","Cyclic water pentamer in a tape-like structure","Chemical Communications","2004","","19","2220","2221","10.1039/b404364b","","","0.71073","MoKα","","0.0728","0.0589","","","0.1442","0.1554","","","","","","1.01","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110303","21.386","0.004","21.732","0.004","14.82","0.002","90","","90","","90","","6888","2","100","2","100","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C48 H108 O20 P4 Tc4 Th -","- C48 H108 O20 P4 Tc4 Th -","- C192 H432 O80 P16 Tc16 Th4 -","4","1","","Sarsfield, Mark J.; Sutton, Andrew D.; May, Iain; John, Gordon H.; Sharrad, Clint; Helliwell, Madeleine","Coordination of pertechnetate [TcO4]? to actinides","Chemical Communications","2004","","20","2320","2321","10.1039/b404424j","","","0.71073","MoKα","","0.0741","0.0627","","","0.1507","0.1618","","","","","","1.098","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110304","13.8713","0.0013","15.6591","0.0015","12.994","0.0012","95.128","0.002","111.652","0.001","82.66","0.002","2599.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 O13 P3 Tc2 U -","- C54 H45 O13 P3 Tc2 U -","- C108 H90 O26 P6 Tc4 U2 -","2","1","","Sarsfield, Mark J.; Sutton, Andrew D.; May, Iain; John, Gordon H.; Sharrad, Clint; Helliwell, Madeleine","Coordination of pertechnetate [TcO4]? to actinides","Chemical Communications","2004","","20","2320","2321","10.1039/b404424j","","","0.71073","MoKα","","0.0307","0.0262","","","0.0566","0.0622","","","","","","1.039","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110305","12.05","0.002","21.185","0.003","16.59","0.002","90","","98.3","0.01","90","","4190.7","1.1","293.2","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 Ag2 B2 F8 N6 Ni3 O1.5 S6 -","- C24 H42 Ag2 B2 F8 N6 Ni3 O1.5 S6 -","- C96 H168 Ag8 B8 F32 N24 Ni12 O6 S24 -","4","1","","Konno, Takumi; Usami, Masafumi; Hirotsu, Masakazu; Yoshimura, Takashi; Kawamoto, Tatsuya","Novel aggregation of [Ni(thiolato)2(amine)2]-type square planes assisted by silver(i) ions","Chemical Communications","2004","","20","2296","2297","10.1039/b404512b","","","0.7107","MoKα","","","0.0507","","","","0.1353","","","","","","0.993","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110306","13.438","0.002","20.621","0.005","18.811","0.003","90","","93.03","0.01","90","","5205.3","1.7","296.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Ag2 B2 F8 N8 Ni4 S8 -","- C32 H56 Ag2 B2 F8 N8 Ni4 S8 -","- C128 H224 Ag8 B8 F32 N32 Ni16 S32 -","4","1","","Konno, Takumi; Usami, Masafumi; Hirotsu, Masakazu; Yoshimura, Takashi; Kawamoto, Tatsuya","Novel aggregation of [Ni(thiolato)2(amine)2]-type square planes assisted by silver(i) ions","Chemical Communications","2004","","20","2296","2297","10.1039/b404512b","","","0.7107","MoKα","","","0.045","","","","0.143","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110307","12.5042","0.0013","14.2178","0.0015","14.2393","0.0015","74.479","0.002","85.194","0.002","74.395","0.002","2349.1","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H14 Cl2 Cu F26 N4 Sb -","- C49 H14 Cl2 Cu F26 N4 Sb -","- C98 H28 Cl4 Cu2 F52 N8 Sb2 -","2","1","","Hamilton, Charles W.; Laitar, David S.; Sadighi, Joseph P.","Oxidation-resistant, sterically demanding phenanthrolines as supporting ligands for copper(i) nitrene transfer catalystsElectronic Supplementary Information (ESI) available: Synthesis of 1?4?, with spectroscopic and analytical details; crystallographic data plus additional structures. See http://www.rsc.org/suppdata/cc/b4/b404515g/","Chemical Communications","2004","","14","1628","1629","10.1039/b404515g","","","0.71073","MoKα","","0.0409","0.0355","","","0.0893","0.0924","","","","","","1.044","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110308","12.8498","0.0011","17.2274","0.0014","19.3942","0.0016","88.865","0.002","85.991","0.002","72.624","0.002","4087.3","0.6","194","2","194","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H18 Cl2 Cu F24 N2 Sb -","- C37 H18 Cl2 Cu F24 N2 Sb -","- C148 H72 Cl8 Cu4 F96 N8 Sb4 -","4","2","","Hamilton, Charles W.; Laitar, David S.; Sadighi, Joseph P.","Oxidation-resistant, sterically demanding phenanthrolines as supporting ligands for copper(i) nitrene transfer catalystsElectronic Supplementary Information (ESI) available: Synthesis of 1?4?, with spectroscopic and analytical details; crystallographic data plus additional structures. See http://www.rsc.org/suppdata/cc/b4/b404515g/","Chemical Communications","2004","","14","1628","1629","10.1039/b404515g","","","0.71073","MoKα","","0.0893","0.0687","","","0.1748","0.2015","","","","","","1.124","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110309","10.2878","0.0007","18.41","0.0012","17.6432","0.0011","90","","91.633","0.002","90","","3340.2","0.4","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Iridium allyl carbonyl bis(triphenylphosphine)","","","- C40 H35 Ir O P2 -","- C40 H35 Ir O P2 -","- C160 H140 Ir4 O4 P8 -","4","1","","Godard, Cyril; Duckett, Simon B.; Henry, C�line; Polas, Stacey; Toose, Robert; Whitwood, Adrian C.","New perspectives in hydroformylation : a para-hydrogen studyElectronic supplementary information (ESI) available: X-ray data for compound 1 and NMR data for compounds 1?9. See http://www.rsc.org/suppdata/cc/b4/b404547e/","Chemical Communications","2004","","16","1826","1827","10.1039/b404547e","","","0.71073","MoKα","","0.043","0.0301","","","0.0676","0.0721","","","","","","1.027","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110310","10.297","0.002","11.516","0.002","11.439","0.002","90","","90.408","0.003","90","","1356.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 I N2 O -","- C10 H19 I N2 O -","- C40 H76 I4 N8 O4 -","4","1","","Arnold, Polly L.; Rodden, Mark; Davis, Kate M.; Scarisbrick, Andrew C.; Blake, Alexander J.; Wilson, Claire","Asymmetric lithium(i) and copper(ii) alkoxy-N-heterocyclic carbene complexes; crystallographic characterisation and Lewis acid catalysisElectronic supplementary information (ESI) available: full synthetic and structural details. See http://www.rsc.org/suppdata/cc/b4/b404614e/","Chemical Communications","2004","","14","1612","1613","10.1039/b404614e","","","0.71073","MoKα","","0.0282","0.0214","","","0.0437","0.0444","","","","","","1.076","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110311","10.297","0.002","11.516","0.002","11.439","0.002","90","","90.408","0.003","90","","1356.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 I N2 O -","- C10 H19 I N2 O -","- C40 H76 I4 N8 O4 -","4","1","","Arnold, Polly L.; Rodden, Mark; Davis, Kate M.; Scarisbrick, Andrew C.; Blake, Alexander J.; Wilson, Claire","Asymmetric lithium(i) and copper(ii) alkoxy-N-heterocyclic carbene complexes; crystallographic characterisation and Lewis acid catalysisElectronic supplementary information (ESI) available: full synthetic and structural details. See http://www.rsc.org/suppdata/cc/b4/b404614e/","Chemical Communications","2004","","14","1612","1613","10.1039/b404614e","","","0.71073","MoKα","","0.0278","0.021","","","0.0471","0.0481","","","","","","0.896","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110312","11.2459","0.0006","11.3574","0.0006","14.0301","0.0007","108.942","0.002","91.217","0.002","102.273","0.002","1648.29","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl N2 O -","- C16 H23 Cl N2 O -","- C64 H92 Cl4 N8 O4 -","4","2","","Arnold, Polly L.; Rodden, Mark; Davis, Kate M.; Scarisbrick, Andrew C.; Blake, Alexander J.; Wilson, Claire","Asymmetric lithium(i) and copper(ii) alkoxy-N-heterocyclic carbene complexes; crystallographic characterisation and Lewis acid catalysisElectronic supplementary information (ESI) available: full synthetic and structural details. See http://www.rsc.org/suppdata/cc/b4/b404614e/","Chemical Communications","2004","","14","1612","1613","10.1039/b404614e","","","0.71073","MoKα","","0.0443","0.0386","","","0.1086","0.1124","","","","","","1.069","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110313","15.347","0.003","7.6309","0.0014","9.725","0.002","90","","90","","90","","1138.9","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H15 I N2 O -","- C8 H15 I N2 O -","- C32 H60 I4 N8 O4 -","4","1","","Arnold, Polly L.; Rodden, Mark; Davis, Kate M.; Scarisbrick, Andrew C.; Blake, Alexander J.; Wilson, Claire","Asymmetric lithium(i) and copper(ii) alkoxy-N-heterocyclic carbene complexes; crystallographic characterisation and Lewis acid catalysisElectronic supplementary information (ESI) available: full synthetic and structural details. See http://www.rsc.org/suppdata/cc/b4/b404614e/","Chemical Communications","2004","","14","1612","1613","10.1039/b404614e","","","0.71073","MoKα","","0.0144","0.0141","","","0.0363","0.0365","","","","","","1.024","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110314","12.8799","0.0015","15.655","0.002","19.034","0.002","90","","93.239","0.002","90","","3831.8","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H54 I2 Li4 N4 O4 -","- C28 H54 I2 Li4 N4 O4 -","- C112 H216 I8 Li16 N16 O16 -","4","0.5","","Arnold, Polly L.; Rodden, Mark; Davis, Kate M.; Scarisbrick, Andrew C.; Blake, Alexander J.; Wilson, Claire","Asymmetric lithium(i) and copper(ii) alkoxy-N-heterocyclic carbene complexes; crystallographic characterisation and Lewis acid catalysisElectronic supplementary information (ESI) available: full synthetic and structural details. See http://www.rsc.org/suppdata/cc/b4/b404614e/","Chemical Communications","2004","","14","1612","1613","10.1039/b404614e","","","0.71073","MoKα","","0.0574","0.0362","","","0.0854","0.0975","","","","","","0.922","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7110315","14.763","0.003","14.763","","27.053","0.006","90","","90","","90","","5896.1","1.8","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C48.4 H65.6 Cl4 Cu4 N8 O3.6 -","- C48.4 H68 Cl4 Cu4 N8 O3.6 -","- C193.6 H272 Cl16 Cu16 N32 O14.4 -","4","0.5","","Arnold, Polly L.; Rodden, Mark; Davis, Kate M.; Scarisbrick, Andrew C.; Blake, Alexander J.; Wilson, Claire","Asymmetric lithium(i) and copper(ii) alkoxy-N-heterocyclic carbene complexes; crystallographic characterisation and Lewis acid catalysisElectronic supplementary information (ESI) available: full synthetic and structural details. See http://www.rsc.org/suppdata/cc/b4/b404614e/","Chemical Communications","2004","","14","1612","1613","10.1039/b404614e","","","0.71073","MoKα","","0.165","0.0645","","","0.147","0.214","","","","","","1.054","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7110316","9.2639","0.0014","23.168","0.004","18.26","0.003","90","","92.962","0.003","90","","3913.8","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","03049","","","- C46.5 H42 O2 P2 Pd -","- C46.5 H42 O2 P2 Pd -","- C186 H168 O8 P8 Pd4 -","4","1","","Aboelella, Nermeen W.; York, John T.; Reynolds, Anne M.; Fujita, Koyu; Kinsinger, Christopher R.; Cramer, Christopher J.; Riordan, Charles G.; Tolman, William B.","Mixed metal bis(�-oxo) complexes with [CuM(�-O)2]n+ (M = Ni(iii) or Pd(ii)) coresElectronic supplementary information (ESI) available: experimental and calculation details. See http://www.rsc.org/suppdata/cc/b4/b404640d/","Chemical Communications","2004","","15","1716","1717","10.1039/b404640d","","","0.71073","MoKα","","0.0626","0.0368","","","0.0831","0.0949","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110317","16.54","0.006","16.54","0.006","5.432","0.003","90","","90","","120","","1286.9","1","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H6 N O3 -","- C9 H9 O3.527 -","- C54 H54 O21.162 -","6","0.333333","","Arulsamy, Navamoney; Bohle, D. Scott; Butikofer, Jeffrey L.; Stephens, Peter W.; Yee, Gordon T.","Spatiotemporal defined release of nitric oxide","Chemical Communications","2004","","16","1856","1857","10.1039/b404728a","","","0.71073","MoKα","","0.0382","0.0363","","","0.0945","0.0959","","","","","","1.055","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110318","25.7419","0.0004","7.9982","0.0002","14.0165","0.0003","90","","110.646","0.001","90","","2700.5","0.1","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C120 H120 N8 O32 -","8","2","","Penkett, Clive S.; Sims, Rupert O.; French, Richard; Dray, Lauriane; Roome, Stephen J.; Hitchcock, Peter B.","Palladium catalyzed arylation reactions of meta photocycloadducts","Chemical Communications","2004","","17","1932","1933","10.1039/b404816d","","x-ray","0.71073","MoKα","","0.0462","0.038","","","0.0804","0.0844","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110319","7.9469","0.0003","16.7131","0.0005","10.3861","0.0004","90","","93.298","0.001","90","","1377.17","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Penkett, Clive S.; Sims, Rupert O.; French, Richard; Dray, Lauriane; Roome, Stephen J.; Hitchcock, Peter B.","Palladium catalyzed arylation reactions of meta photocycloadducts","Chemical Communications","2004","","17","1932","1933","10.1039/b404816d","","x-ray","0.71073","MoKα","","0.0472","0.038","","","0.0949","0.1012","","","","","","1.038","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110320","13.8628","0.0019","17.177","0.003","15.58","0.002","90","","96.39","0.011","90","","3686.9","0.9","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H140 B2 Mg O10 -","- C72 H140 B2 Mg O10 -","- C144 H280 B4 Mg2 O20 -","2","0.5","","Braunschweig, Holger; D'Andola, Giovanni; Welton, Tom; White, Andrew J. P.","Novel organocycloborates via Grignard reagentsElectronic supplementary information (ESI) available: experimental details and 1H, 13C and 11B NMR data for 1, 2, 3and 4, single crystal X-ray data and additional figures for 3and 4. See http://www.rsc.org/suppdata/cc/b4/b404864d/","Chemical Communications","2004","","15","1738","1739","10.1039/b404864d","","","1.54178","CuKα","","0.1036","0.0734","","","0.2036","0.224","","","","","","1.055","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7110321","10.953","0.002","14.4213","0.0016","25.584","0.003","90","","93.597","0.015","90","","4033.2","1","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 B Br Mg O6 -","- C37 H72 B Br Mg O6 -","- C148 H288 B4 Br4 Mg4 O24 -","4","1","","Braunschweig, Holger; D'Andola, Giovanni; Welton, Tom; White, Andrew J. P.","Novel organocycloborates via Grignard reagentsElectronic supplementary information (ESI) available: experimental details and 1H, 13C and 11B NMR data for 1, 2, 3and 4, single crystal X-ray data and additional figures for 3and 4. See http://www.rsc.org/suppdata/cc/b4/b404864d/","Chemical Communications","2004","","15","1738","1739","10.1039/b404864d","","","0.71073","MoKα","","0.0899","0.0464","","","0.0951","0.1072","","","","","","0.979","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7110322","11.036","0.0005","21.575","0.001","22.048","0.0013","90","","100.507","0.0016","90","","5161.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H66.5 B2 N1.5 O4 -","- C59 H66.5 B2 N1.5 O4 -","- C236 H266 B8 N6 O16 -","4","1","","Arimori, Susumu; Davidson, Matthew G.; Fyles, Thomas M.; Hibbert, Thomas G.; James, Tony D.; Kociok-K�hn, Gabriele I.","Synthesis and structural characterisation of the first bis(bora)calixarene: a selective, bidentate, fluorescent fluoride sensorElectronic supplementary information (ESI) available: synthetic and spectroscopic details for the preparation of 3; details of the fluorescence titration of 3 with F? including details on the procedure used for calculation of binding constants; and details of the crystal structure refinement. See http://www.rsc.org/suppdata/cc/b4/b404937c/","Chemical Communications","2004","","14","1640","1641","10.1039/b404937c","","","0.7107","MoKα","","0.2036","0.1028","","","0.2723","0.3238","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110323","9.872","0.003","15.312","0.004","18.599","0.004","90","","97.548","0.007","90","","2787.1","1.3","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Hf O8 -","- C22 H40 Hf O8 -","- C88 H160 Hf4 O32 -","4","0.5","","Baunemann, Arne; Thomas, Reji; Becker, Ralf; Winter, Manuela; Fischer, Roland A.; Ehrhart, Peter; Waser, Rainer; Devi, Anjana","Mononuclear precursor for MOCVD of HfO2 thin filmsElectronic supplementary information (ESI) available: TG/DTA, and isothermal studies, RBS and AFM data of HfO2 film. See http://www.rsc.org/suppdata/cc/b4/b405015k/","Chemical Communications","2004","","14","1610","1611","10.1039/b405015k","","","0.71073","MoKα","","0.08","0.0481","","","0.0864","0.0954","","","","","","0.891","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110324","9.869","0.002","16.781","0.003","11.299","0.002","90","","100.02","0.03","90","","1842.7","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 N2 O6 Zn -","- C19 H12 N2 O6 Zn -","- C76 H48 N8 O24 Zn4 -","4","1","","Qin, Chao; Wang, Xinlong; Carlucci, Lucia; Tong, Mingliang; Wang, Enbo; Hu, Changwen; Xu, Lin","From arm-shaped layers to a new type of polythreaded array: a two fold interpenetrated three-dimensional network with a rutile topologyElectronic Supplementary Information (ESI) available: details of the synthesis and solid state emission spectra of 1. See http://www.rsc.org/suppdata/cc/b4/b405016a/","Chemical Communications","2004","","16","1876","1877","10.1039/b405016a","","","0.71073","MoKα","","0.1148","0.0658","","","0.1569","0.1788","","","","","","1.03","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110325","24.2682","0.0006","24.2682","0.0006","29.4699","0.0015","90","","90","","120","","15030.9","0.9","193","2","193","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C213 H171 Cl9 Co13 N62 O84 -","- C213 H159 Cl9 Co13 N62.01 O83.97 -","- C426 H318 Cl18 Co26 N124.02 O167.94 -","2","0.166667","","Milway, Victoria A.; Thompson, Laurence K.; Miller, David O.","Self-assembly by ligand disassembly?–formation of an unusual dodecanuclear [Co(II)~6~Co(III)~6~] cluster","Chemical Communications (Cambridge, United Kingdom)","2004","","16","1790","1791","10.1039/b405131a","","","0.71073","MoKα","","0.1415","0.0937","","","0.2713","0.3347","","","","","","1.111","","","","has coordinates","275111","2022-05-06","15:31:54",""
"7110326","7.691","0.0015","15.635","0.003","15.594","0.003","90","","93.56","0.03","90","","1871.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cr2Mn","","","- C32 H28 Cr2 Mn N12 O6 -","- C32 H28 Cr2 Mn N12 O6 -","- C64 H56 Cr4 Mn2 N24 O12 -","2","0.5","","Zhang, Yuan-Zhu; Gao, Song; Sun, Hao-Ling; Su, Gang; Wang, Zhe-Ming; Zhang, Shi-Wei","Linking cyano-bridged ladders by azide to form a layered metamagnetElectronic supplementary information (ESI) available: crystal structure plots, more magnetic data and plots for 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b405167j/","Chemical Communications","2004","","17","1906","1907","10.1039/b405167j","","","0.71073","MoKα","","0.0498","0.0327","","","0.0804","0.0835","","","","","","0.919","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110327","8.116","0.002","10.432","0.003","13.291","0.005","72.201","0.012","79.818","0.012","74.23","0.02","1025.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","MnCr","","","- C18 H16 Cr Mn N9 O2 -","- C18 H16 Cr Mn N9 O2 -","- C36 H32 Cr2 Mn2 N18 O4 -","2","1","","Zhang, Yuan-Zhu; Gao, Song; Sun, Hao-Ling; Su, Gang; Wang, Zhe-Ming; Zhang, Shi-Wei","Linking cyano-bridged ladders by azide to form a layered metamagnetElectronic supplementary information (ESI) available: crystal structure plots, more magnetic data and plots for 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b405167j/","Chemical Communications","2004","","17","1906","1907","10.1039/b405167j","","","0.71073","MoKα","","0.0743","0.0423","","","0.1163","0.1259","","","","","","0.965","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110328","8.5487","0.0015","31.823","0.006","14.972","0.003","90","","97.703","0.004","90","","4036.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N'-bis(4-((E)-2-(6-(dimethylamino)-1,3-benzothiazol-2-yl) vinyl)phenyl)pyridine-2,6-dicarboxamide dimethylformamide","N,N'-bis(4-{(E)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl] vinyl}phenyl)pyridine-2,6-dicarboxamide dimethylformamide","","- C44 H42 N8 O3 S2 -","- C43.997 H42 N7.999 O2.999 S2 -","- C175.988 H168 N31.996 O11.996 S8 -","4","1","","Kovalchuk, Anton; Bricks, Julia L.; Reck, G�nter; Rurack, Knut; Schulz, Burkhard; Szumna, Agnieszka; Wei�hoff, Hardy","A charge transfer-type fluorescent molecular sensor that ?lights up? in the visible upon hydrogen bond-assisted complexation of anionsElectronic Supplementary Information (ESI) available: details on synthesis, X-ray structure analysis, NMR and competition studies. See http://www.rsc.org/suppdata/cc/b4/b405207b/","Chemical Communications","2004","","17","1946","1947","10.1039/b405207b","","","0.71073","MoKα","","0.1725","0.0536","","","0.1211","0.1463","","","","","","0.823","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7110329","8.5978","0.0016","12.4","0.002","26.453","0.004","99.094","0.014","97.226","0.014","107.448","0.017","2611.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N,N'-bis(4-((E)-2-(6-(dimethylamino)-1,3-benzothiazol-2-yl) vinyl)phenyl)pyridine-2,6-dicarboxamide dimethylsulfoxide tetrahydrofuran?","N,N'-bis(4-{(E)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl] vinyl}phenyl)pyridine-2,6-dicarboxamide dimethylsulfoxide tetrahydrofuran?","","- C53 H61 N7 O5.5 S3 -","- C52.996 H41 N7 O5.498 S2.998 -","- C105.992 H82 N14 O10.996 S5.996 -","2","1","","Kovalchuk, Anton; Bricks, Julia L.; Reck, G�nter; Rurack, Knut; Schulz, Burkhard; Szumna, Agnieszka; Wei�hoff, Hardy","A charge transfer-type fluorescent molecular sensor that ?lights up? in the visible upon hydrogen bond-assisted complexation of anionsElectronic Supplementary Information (ESI) available: details on synthesis, X-ray structure analysis, NMR and competition studies. See http://www.rsc.org/suppdata/cc/b4/b405207b/","Chemical Communications","2004","","17","1946","1947","10.1039/b405207b","","","0.71073","MoKα","","0.2976","0.1123","","","0.2606","0.3387","","","","","","0.952","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111315","9.0002","0.0001","14.1519","0.0003","16.6811","0.0003","90","","90","","90","","2124.67","0.06","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl N O2 -","- C24 H26 Cl N O2 -","- C96 H104 Cl4 N4 O8 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","A novel transformation of a 1 : 1 : 1 racemic complex of 2,2?-dihydroxy-1,1?-binaphthyl, Me4N+ Cl? and MeOH into a conglomerate in the solid state by heating or contact with MeOH vapour","Chemical Communications","2004","","16","1844","1845","10.1039/b404297b","","","0.7107","MoKα","","","0.0434","","","","0.1632","","","","","","2.269","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7111316","6.54","0.007","19.97","0.02","20","0.02","90","","90","","90","","2612","5","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(3-buthoxycarbonyl-1-isopropyl)-2,3:5,6-bis-O- isopropylidene-D-mannose-imine N-oxide","","- C23 H41 N O8 -","- C23 H41 N O8 -","- C92 H164 N4 O32 -","4","1","","Johannesen, Sine A.; Albu, Silvia; Hazell, Rita G.; Skrydstrup, Troels","Radical addition of nitrones to acrylates mediated by SmI2: asymmetric synthesis of ?-amino acids employing carbohydrate-based chiral auxiliariesElectronic Supplementary Information (ESI) available: crystallographic data of 2b and 4a, experimental procedure and spectral data. See http://www.rsc.org/suppdata/cc/b4/b405141f/","Chemical Communications","2004","","17","1962","1963","10.1039/b405141f","","","0.71073","MoKα","","","0.049","","","","0.047","","","","","","1.235","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7111317","5.379","0.001","15.901","0.003","27.782","0.006","90","","90","","90","","2376.2","0.8","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-buthoxycarbonyl-1-cyclohexylpropyl)-2,3-O- isopropylidene-5-deoxy-D-ribose-imine N-oxide","","- C22 H39 N O6 -","- C22 H39 N O6 -","- C88 H156 N4 O24 -","4","1","","Johannesen, Sine A.; Albu, Silvia; Hazell, Rita G.; Skrydstrup, Troels","Radical addition of nitrones to acrylates mediated by SmI2: asymmetric synthesis of ?-amino acids employing carbohydrate-based chiral auxiliariesElectronic Supplementary Information (ESI) available: crystallographic data of 2b and 4a, experimental procedure and spectral data. See http://www.rsc.org/suppdata/cc/b4/b405141f/","Chemical Communications","2004","","17","1962","1963","10.1039/b405141f","","","0.71073","MoKα","","","0.048","","","","0.054","","","","","","1.247","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7111318","13.2114","0.0001","17.1528","0.0002","17.744","0.0002","90","","90","","90","","4021.01","0.07","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H42 Cl2 Co P Pd S -","- C49 H42 Cl2 Co P Pd S -","- C196 H168 Cl8 Co4 P4 Pd4 S4 -","4","1","","G�mez Array�s, Ram�n; Garc�a Manche�o, Olga; Carretero, Juan C.","First planar chiral bidentate ligand based on a (?5-cyclopentadienyl)(?4-cyclobutadiene) cobalt backbone: high efficiency in enantioselective palladium-catalyzed allylic substitutionsElectronic supplementary information (ESI) available: crystal data and experimental details. See http://www.rsc.org/suppdata/cc/b4/b405342g/","Chemical Communications","2004","","14","1654","1655","10.1039/b405342g","","","1.54178","CuKα","","0.0351","0.0315","","","0.0744","0.0765","","","","","","1.032","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111319","41.0772","0.0004","15.8565","0.0002","21.8384","0.0002","90","","117.13","0.001","90","","12659.2","0.3","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C68 H61 Co F6 O2 P Pd S Sb -","- C68 H61 Co F6 O2 P Pd S Sb -","- C544 H488 Co8 F48 O16 P8 Pd8 S8 Sb8 -","8","1","","G�mez Array�s, Ram�n; Garc�a Manche�o, Olga; Carretero, Juan C.","First planar chiral bidentate ligand based on a (?5-cyclopentadienyl)(?4-cyclobutadiene) cobalt backbone: high efficiency in enantioselective palladium-catalyzed allylic substitutionsElectronic supplementary information (ESI) available: crystal data and experimental details. See http://www.rsc.org/suppdata/cc/b4/b405342g/","Chemical Communications","2004","","14","1654","1655","10.1039/b405342g","","","1.54178","CuKα","","0.0473","0.0432","","","0.1168","0.12","","","","","","1.057","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111320","9.2513","0.0018","9.7274","0.0012","13.164","0.003","110.72","0.013","101.703","0.019","100.932","0.011","1039.9","0.4","295","","295","","","","","","","","?","5","P -1","-P 1","2","","","","- C21 H23 Cr N O6 -","- C21 H23 Cr N O6 -","- C42 H46 Cr2 N2 O12 -","2","1","","Chavarot, Murielle; Rivard, Micha�l; Rose-Munch, Fran�oise; Rose, Eric; Py, Sandrine","First asymmetric SmI2-induced cross-coupling of Cr(CO)3 aromatic nitrone complexes with carbonyl compounds","Chemical Communications","2004","","20","2330","2331","10.1039/b405406g","","","0.71073","MoKα","","0.0695","0.0396","","0.0658","0.0453","0.0453","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111321","16.033","0.008","9.904","0.008","10.58","0.01","90","","90","","90","","1680","2","223.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H31 B N2 -","- C15 H31 B N2 -","- C60 H124 B4 N8 -","4","0.5","","Yamaguchi, Yoshitaka; Kashiwabara, Taigo; Ogata, Kenichi; Miura, Yumiko; Nakamura, Yoshiyuki; Kobayashi, Kimiko; Ito, Takashi","Synthesis and reactivity of triethylborane adduct of N-heterocyclic carbene: versatile synthons for synthesis of N-heterocyclic carbene complexes","Chemical Communications","2004","","19","2160","2161","10.1039/b405459h","","","0.7107","MoKα","","","0.0823","","","","0.2122","","","","","","1.653","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111322","16.929","0.01","17.29","0.01","8.511","0.008","90","","90","","90","","2491","3","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C108 H156 B4 N8 -","4","1","","Yamaguchi, Yoshitaka; Kashiwabara, Taigo; Ogata, Kenichi; Miura, Yumiko; Nakamura, Yoshiyuki; Kobayashi, Kimiko; Ito, Takashi","Synthesis and reactivity of triethylborane adduct of N-heterocyclic carbene: versatile synthons for synthesis of N-heterocyclic carbene complexes","Chemical Communications","2004","","19","2160","2161","10.1039/b405459h","","","0.7107","MoKα","","","0.0618","","","","0.1732","","","","","","1.464","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111323","32.541","0.011","17.474","0.004","24.144","0.002","90","","101.257","0.01","90","","13465","6","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52.5 H56.5 Cl10 N12 P4 Pd4 -","- C52.5 H55.5 Cl10 N12 P4 Pd4 -","- C420 H444 Cl80 N96 P32 Pd32 -","8","1","","Angurell, Inma; Mart�nez-Ruiz, Isabel; Rossell, Oriol; Seco, Miquel; G�mez-Sal, Pilar; Mart�n, Avelino","Unprecedented eight-palladium(i) crown-cycle with metal?metal unsupported bonds","Chemical Communications","2004","","15","1712","1713","10.1039/b405532b","","x-ray","0.71073","MoKα","","0.083","0.0504","","","0.1191","0.1408","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111324","20.4393","0.0017","19.5132","0.0018","19.661","0.002","90","","116.526","0.003","90","","7016.1","1.1","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Et4N)3[Ni(NpPepS)2Cu].DMF","","","- C75 H95 Cu N8 Ni2 O5 S4 -","- C75 H95 Cu N8 Ni2 O5 S4 -","- C300 H380 Cu4 N32 Ni8 O20 S16 -","4","1","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Binding of CO to structural models of the bimetallic subunit at the A-cluster of acetyl coenzyme A synthase/CO dehydrogenaseElectronic supplementary information (ESI) available: Experimental details. See http://www.rsc.org/suppdata/cc/b4/b405572c/","Chemical Communications","2004","","15","1744","1745","10.1039/b405572c","","","0.71073","MoKα","","0.1244","0.0523","","","0.1106","0.1419","","","","","","0.99","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111325","17.009","0.003","13.0882","0.0016","37.076","0.004","90","","101.902","0.012","90","","8076","2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Et4N)2[Ni(DMF)2(Ni{NpPepS}2].3DMF","","","- C79 H103 N11 Ni3 O9 S4 -","- C79 H103 N11 Ni3 O9 S4 -","- C316 H412 N44 Ni12 O36 S16 -","4","1","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Binding of CO to structural models of the bimetallic subunit at the A-cluster of acetyl coenzyme A synthase/CO dehydrogenaseElectronic supplementary information (ESI) available: Experimental details. See http://www.rsc.org/suppdata/cc/b4/b405572c/","Chemical Communications","2004","","15","1744","1745","10.1039/b405572c","","","1.54178","CuKα","","0.0724","0.046","","","0.1013","0.1153","","","","","","1.004","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111326","18.6353","0.0015","20.2119","0.0017","17.3241","0.0014","90","","110.887","0.003","90","","6096.4","0.9","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Et4N)2[Ni(NpPepS)Ni(NpPepS)Ni].DMF","","","- C67 H74 N7 Ni3 O5 S4 -","- C67 H74 N7 Ni3 O5 S4 -","- C268 H296 N28 Ni12 O20 S16 -","4","1","","Harrop, Todd C.; Olmstead, Marilyn M.; Mascharak, Pradip K.","Binding of CO to structural models of the bimetallic subunit at the A-cluster of acetyl coenzyme A synthase/CO dehydrogenaseElectronic supplementary information (ESI) available: Experimental details. See http://www.rsc.org/suppdata/cc/b4/b405572c/","Chemical Communications","2004","","15","1744","1745","10.1039/b405572c","","","0.71073","MoKα","","0.1002","0.0499","","","0.1215","0.152","","","","","","1.052","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111327","25.1776","0.0018","11.4829","0.0008","23.2866","0.0015","90","","104.716","0.003","90","","6511.6","0.8","220","2","220","2","","","","","","","Synthesized by the authors. See text","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H35 Br F12 N8 P2 Ru -","- C54 H35 Br F12 N8 P2 Ru -","- C216 H140 Br4 F48 N32 P8 Ru4 -","4","1","","Wang, Jianhua; Hanan, Garry S.; Loiseau, Fr�d�rique; Campagna, Sebastiano","Prolonged luminescence lifetimes of Ru(ii) complexes via the multichromophore approach: the excited-state storage element can be on a ligand not involved in the MLCT emitting stateElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b4/b405619a/","Chemical Communications","2004","","18","2068","2069","10.1039/b405619a","","","1.54178","CuKα","","0.1069","0.055","","","0.0937","0.0992","","","","","","1.011","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111328","7.4397","0.0003","9.2719","0.0003","10.3211","0.0004","106.553","0.0018","101.265","0.002","109.473","0.0018","609.3","0.04","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 N4 Ni O6 -","- C22 H42 N4 Ni O6 -","- C22 H42 N4 Ni O6 -","1","0.5","","Kim, Ju Chang; Cho, Jaeheung; Kim, Hyojin; Lough, Alan J.","Isolation and characterization of the first stable bicarbonato complex in a nickel(ii) system: identification of unusual monodentate coordinationElectronic Supplementary Information (ESI) available: synthetic procedures for L and [Ni(L)]�2ClO4, electronic spectra and X-ray crystallographic data for 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b405695g/","Chemical Communications","2004","","16","1796","1797","10.1039/b405695g","","","0.71073","MoKα","","0.0364","0.0317","","","0.074","0.0771","","","","","","1.06","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111329","9.3483","0.0003","9.9583","0.0003","12.8621","0.0004","90","","102.971","0.0016","90","","1166.82","0.06","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 N4 Ni O6 -","- C22 H42 N4 Ni O6 -","- C44 H84 N8 Ni2 O12 -","2","0.5","","Kim, Ju Chang; Cho, Jaeheung; Kim, Hyojin; Lough, Alan J.","Isolation and characterization of the first stable bicarbonato complex in a nickel(ii) system: identification of unusual monodentate coordinationElectronic Supplementary Information (ESI) available: synthetic procedures for L and [Ni(L)]�2ClO4, electronic spectra and X-ray crystallographic data for 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b405695g/","Chemical Communications","2004","","16","1796","1797","10.1039/b405695g","","","0.71073","MoKα","","0.0475","0.0427","","","0.132","0.136","","","","","","1.07","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111330","27.728","0.004","27.728","0.004","11.005","0.002","90","","90","","90","","8461","2","123.2","","","","","","","","","","","4","I -4","I -4","82","","","","- C46 H38 Cl6 O4 -","- C46 H38 Cl6 O4 -","- C368 H304 Cl48 O32 -","8","1","","Iwashita, Shinichi; Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Ono, Kazunori; Takenaka, Masami; Suzuki, Takanori","First stable 7,7,8,8-tetraaryl-o-quinodimethane: isolation, X-ray structure, electrochromic response of 9,10-bis(dianisylmethylene)-9,10-dihydrophenanthreneElectronic supplementary information (ESI) available: ORTEP drawings of 12+ and 2. See http://www.rsc.org/suppdata/cc/b4/b405837b/","Chemical Communications","2004","","18","2076","2077","10.1039/b405837b","","","0.7107","MoKα","","","0.0519","","","","0.0683","","","","","","1.597","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111331","10.1566","0.0007","18.671","0.001","35.302","0.002","90","","90","","90","","6694.5","0.7","153.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C44 H38 O4 -","- C44 H38 O4 -","- C352 H304 O32 -","8","1","","Iwashita, Shinichi; Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Ono, Kazunori; Takenaka, Masami; Suzuki, Takanori","First stable 7,7,8,8-tetraaryl-o-quinodimethane: isolation, X-ray structure, electrochromic response of 9,10-bis(dianisylmethylene)-9,10-dihydrophenanthreneElectronic supplementary information (ESI) available: ORTEP drawings of 12+ and 2. See http://www.rsc.org/suppdata/cc/b4/b405837b/","Chemical Communications","2004","","18","2076","2077","10.1039/b405837b","","","0.7107","MoKα","","","0.0392","","","","0.0514","","","","","","1.263","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111332","25.375","0.004","20.003","0.003","19.7","0.003","90","","96.261","0.002","90","","9940","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H96 K Mo18 N10 O86 P6 -","- C30 H96 K Mo18 N10 O86 P6 -","- C120 H384 K4 Mo72 N40 O344 P24 -","4","0.5","","Zhang, Xian-Ming; Wu, Hai-Shun; Zhang, Fu-Qiang; Prikhod'ko, Alexander; Kuwata, Shigemasa; Comba, Peter","The three-electron heteropoly blue [P6Mo18O73]11? with a basket-shaped skeletonElectronic supplementary information (ESI) available: UV-vis and EPR spectra, magnetic data, and plot of the arrays of clusters of 1. See http://www.rsc.org/suppdata/cc/b4/b405931j/","Chemical Communications","2004","","18","2046","2047","10.1039/b405931j","","","0.71073","MoKα","","0.041","0.0363","","","0.0851","0.0874","","","","","","1.106","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111333","10.004","0.016","10.686","0.014","12.27","0.02","87.74","0.04","67.16","0.03","64.75","0.05","1081","3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H56 O10 Zr2 -","- C28 H56 O10 Zr2 -","- C28 H56 O10 Zr2 -","1","0.5","","Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Kessler, Vadim G.","Stabilization and destabilization of zirconium propoxide precursors by acetylacetoneElectronic supplementary information (ESI) available: summary of 1H NMR spectra and CIF files for compounds 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b406012a/","Chemical Communications","2004","","16","1874","1875","10.1039/b406012a","","","0.71073","MoKα","","0.1045","0.0469","","","0.1018","0.117","","","","","","0.879","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111334","8.5444","0.0017","30.933","0.006","8.2339","0.0016","90","","90","","90","","2176.3","0.7","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H28 O7 Zr -","- C18 H28 O7 Zr -","- C72 H112 O28 Zr4 -","4","1","","Spijksma, Gerald I.; Bouwmeester, Henny J. M.; Blank, Dave H. A.; Kessler, Vadim G.","Stabilization and destabilization of zirconium propoxide precursors by acetylacetoneElectronic supplementary information (ESI) available: summary of 1H NMR spectra and CIF files for compounds 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b406012a/","Chemical Communications","2004","","16","1874","1875","10.1039/b406012a","","","0.71073","MoKα","","0.1066","0.0681","","","0.1609","0.1755","","","","","","0.947","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111335","12.5576","0.0004","16.0978","0.0007","14.1307","0.0005","90","","105.421","0.002","90","","2753.68","0.18","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 In N2 -","- C29 H41 In N2 -","- C116 H164 In4 N8 -","4","1","","Hill, Michael S.; Hitchcock, Peter B.","A mononuclear indium(i) carbene analogue","Chemical Communications","2004","","16","1818","1819","10.1039/b406017b","","x-ray","0.71073","MoKα","","0.061","0.0381","","","0.0892","0.099","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111336","10.5466","0.0002","10.8779","0.0002","13.4741","0.0003","89.147","0.001","74.072","0.001","80.112","0.001","1463.54","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 N3 Ni O16 U2.5 -","- C19 H14 N3 Ni O16 U2.5 -","- C38 H28 N6 Ni2 O32 U5 -","2","1","","Yu, Zhen-Tao; Liao, Zuo-Lei; Jiang, Yu-Sheng; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng","Construction of a microporous inorganic?organic hybrid compound with uranyl unitsElectronic Supplementary Information (ESI) available: tables of crystal data, figures giving additional views and additional characterization data. See http://www.rsc.org/suppdata/cc/b4/b406019a/","Chemical Communications","2004","","16","1814","1815","10.1039/b406019a","","","0.71073","MoKα","","0.0371","0.0346","","","0.0943","0.0958","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111337","9.6523","0.0019","18.092","0.004","34.297","0.007","90","","90","","90","","5989","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H45 K O7 Si3 -","- C19 H45 K O7 Si3 -","- C152 H360 K8 O56 Si24 -","8","1","","Likhar, Pravin R.; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph","Preparation and structural characterisation of methoxybis(trimethylsilyl)silyl potassium and its condensation product","Chemical Communications","2004","","15","1764","1765","10.1039/b406074a","","","0.71073","MoKα","","0.0888","0.0741","","","0.152","0.1593","","","","","","1.184","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111338","10.835","0.002","17.659","0.004","14.158","0.003","90","","108.94","0.03","90","","2562.3","1","150","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H39 K O Si6 -","- C13 H39 K O Si6 -","- C52 H156 K4 O4 Si24 -","4","1","","Likhar, Pravin R.; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph","Preparation and structural characterisation of methoxybis(trimethylsilyl)silyl potassium and its condensation product","Chemical Communications","2004","","15","1764","1765","10.1039/b406074a","","","0.71073","MoKα","","0.0702","0.0539","","","0.1076","0.1146","","","","","","1.082","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111339","10.1474","0.0006","13.4825","0.0007","15.8374","0.0009","85.401","0.001","88.977","0.001","68.039","0.001","2002.89","0.19","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C71.4 H61.2 Cl8.4 Co2 N16 O13.2 -","- C71.4 H61.2 Cl8.4 Co2 N16 O13.2 -","- C71.4 H61.2 Cl8.4 Co2 N16 O13.2 -","1","0.5","","Su, Cheng-Yong; Goforth, Andrea M.; Smith, Mark D.; zur Loye, Hans-Conrad","Assembly of large simple 1D and rare polycatenated 3D molecular ladders from T-shaped building blocks containing a new, long N,N?-bidentate ligand","Chemical Communications","2004","","19","2158","2159","10.1039/b406126h","","","0.71073","MoKα","","0.0739","0.0588","","","0.1446","0.1558","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111340","15.6034","0.0009","13.5413","0.0008","15.8953","0.001","90","","116.069","0.001","90","","3016.8","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H48 Cd2 N16 O12 -","- C66 H48 Cd2 N16 O12 -","- C132 H96 Cd4 N32 O24 -","2","0.5","","Su, Cheng-Yong; Goforth, Andrea M.; Smith, Mark D.; zur Loye, Hans-Conrad","Assembly of large simple 1D and rare polycatenated 3D molecular ladders from T-shaped building blocks containing a new, long N,N?-bidentate ligand","Chemical Communications","2004","","19","2158","2159","10.1039/b406126h","","","0.71073","MoKα","","0.0556","0.0496","","","0.1113","0.1148","","","","","","1.057","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111341","14.8862","0.0008","12.5444","0.0007","21.0094","0.0012","90","","101.927","0.001","90","","3838.6","0.4","90.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H29 Cl2 N4 O3 Re -","- C48 H29 Cl2 N4 O3 Re -","- C192 H116 Cl8 N16 O12 Re4 -","4","1","","Toganoh, Motoki; Ishizuka, Tomoya; Furuta, Hiroyuki","Synthesis and properties of rhenium tricarbonyl complex bearing N-fused tetraphenylporphyrin ligand","Chemical Communications","2004","","21","2464","2465","10.1039/b406234e","","","0.7107","MoKα","","","0.042","","","","0.043","","","","","","1.155","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111342","13.5462","0.0004","13.5462","0.0004","14.8813","0.0009","90","","90","","120","","2364.87","0.17","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","(2a)","","- C49 H59 Cl2 N9 O3 -","- C48.99 H58.98 Cl1.98 N9 O3 -","- C97.98 H117.96 Cl3.96 N18 O6 -","2","0.333333","","Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank","A C3-symmetric molecular scaffold for the construction of large receptors","Chemical Communications","2004","","18","2044","2045","10.1039/b406335j","","","0.71073","MoKα","","0.1263","0.1258","","","0.253","0.2532","","","","","","1.133","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111343","22.2326","0.0001","22.2326","0.0001","22.2326","0.0001","36.035","0.001","36.035","0.001","36.035","0.001","3401.81","0.1","200","2","200","2","","","","","","","","4","R 3 :R","P 3*","146","2e","","","- C67 H75 N17 O3 -","- C65.4435 H66.0705 N16.0715 O3 -","- C130.887 H132.141 N32.143 O6 -","2","0.666667","","Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank","A C3-symmetric molecular scaffold for the construction of large receptors","Chemical Communications","2004","","18","2044","2045","10.1039/b406335j","","","0.71073","MoKα","","0.0837","0.0642","","","0.1551","0.173","","","","","","1.048","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111344","12.9951","0.0005","12.9951","0.0005","40.694","0.003","90","","90","","120","","5951.4","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","(2e and phloroglucinol)","","- C71 H79 Cl4 N15 O6 -","- C70.98 H78.96 Cl3.96 N15 O6 -","- C212.94 H236.88 Cl11.88 N45 O18 -","3","0.333333","","Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank","A C3-symmetric molecular scaffold for the construction of large receptors","Chemical Communications","2004","","18","2044","2045","10.1039/b406335j","","","0.71073","MoKα","","0.0767","0.0728","","","0.1992","0.204","","","","","","1.095","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111345","8.687","0.002","7.887","0.002","13.353","0.003","90","","90.17","0.03","90","","914.9","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Ti2 -","- C24 H24 Ti2 -","- C48 H48 Ti4 -","2","0.5","","Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe; Parameswaran, Pattiyil; Jemmis, Eluvathingal D.","Reduction of 1,4-dichlorobut-2-yne by titanocene to a 1,2,3-butatriene. Formation of a 1-titanacyclopent-3-yne and a 2,5-dititanabicyclo[2.2.0]hex-1(4)-ene","Chemical Communications","2004","","18","2074","2075","10.1039/b406494a","","","0.71073","MoKα","","0.0437","0.0364","","0.0963","0.0888","","","","1.051","1.108","1.108","","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111346","17.8688","0.0014","5.0625","0.0004","18.6933","0.0015","90","","97.617","0.002","90","","1676.1","0.2","150","1","150","1","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C42 H22 F12 -","- C41.998 H22 F12 -","- C83.996 H44 F24 -","2","0.5","","Wilson, James N.; Smith, Mark D.; Enkelmann, Volker; Bunz, Uwe H. F.","Cruciform ?-systems: effect of aggregation on emissionElectronic supplementary information (ESI) available: X-ray data of 1?4 and electron diffraction (experimental and simulated) of 3. See http://www.rsc.org/suppdata/cc/b4/b406495j/","Chemical Communications","2004","","15","1700","1701","10.1039/b406495j","","","0.71073","MoKα","","0.0662","0.0546","","","0.1344","0.1421","","","","","","1.01","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111347","42.3302","0.0015","5.1937","0.0002","28.8208","0.0011","90","","128.214","0.001","90","","4978.4","0.3","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 F12 N2 -","- C58 H56 F12 N2 -","- C232 H224 F48 N8 -","4","0.5","","Wilson, James N.; Smith, Mark D.; Enkelmann, Volker; Bunz, Uwe H. F.","Cruciform ?-systems: effect of aggregation on emissionElectronic supplementary information (ESI) available: X-ray data of 1?4 and electron diffraction (experimental and simulated) of 3. See http://www.rsc.org/suppdata/cc/b4/b406495j/","Chemical Communications","2004","","15","1700","1701","10.1039/b406495j","","","0.71073","MoKα","","0.0675","0.0541","","","0.1423","0.1497","","","","","","1.056","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111348","13.8368","0.0007","16.9399","0.0008","20.4197","0.001","90","","97.849","0.001","90","","4741.4","0.4","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 F6 N2 -","- C56 H58 F6 N2 -","- C224 H232 F24 N8 -","4","1","","Wilson, James N.; Smith, Mark D.; Enkelmann, Volker; Bunz, Uwe H. F.","Cruciform ?-systems: effect of aggregation on emissionElectronic supplementary information (ESI) available: X-ray data of 1?4 and electron diffraction (experimental and simulated) of 3. See http://www.rsc.org/suppdata/cc/b4/b406495j/","Chemical Communications","2004","","15","1700","1701","10.1039/b406495j","","","0.71073","MoKα","","0.1022","0.0596","","","0.1407","0.1581","","","","","","0.971","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111349","14.7777","0.0007","19.5961","0.0009","16.7434","0.0008","90","","115.634","0.001","90","","4371.4","0.4","200","0.2","200","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 N2 -","- C53.999 H60 N1.997 -","- C215.996 H240 N7.988 -","4","1","","Wilson, James N.; Smith, Mark D.; Enkelmann, Volker; Bunz, Uwe H. F.","Cruciform ?-systems: effect of aggregation on emissionElectronic supplementary information (ESI) available: X-ray data of 1?4 and electron diffraction (experimental and simulated) of 3. See http://www.rsc.org/suppdata/cc/b4/b406495j/","Chemical Communications","2004","","15","1700","1701","10.1039/b406495j","","","0.71073","MoKα","","0.084","0.0541","","","0.14","0.1519","","","","","","0.977","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111350","10.6383","0.0012","12.7094","0.0014","14.6822","0.0016","73.299","0.002","76.055","0.002","70.891","0.002","1772.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H105 N O8 V2 -","- C68 H105 N O8 V2 -","- C68 H105 N O8 V2 -","1","0.5","","Redshaw, Carl; Warford, Lee; Dale, Sophie H.; Elsegood, Mark R. J.","Vanadyl complexes bearing bi- and triphenolate chelate ligands: highly active ethylene polymerisation procatalystsElectronic supplementary information (ESI) available: selected spectroscopic and polymerisation data. See http://www.rsc.org/suppdata/cc/b4/b406783e/","Chemical Communications","2004","","17","1954","1955","10.1039/b406783e","","","0.71073","MoKα","","0.0938","0.0701","","","0.2003","0.2245","","","","","","1.078","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111351","18.2798","0.0004","18.2851","0.0005","22.6903","0.0007","82.991","0.002","73.067","0.002","89.982","0.002","7196.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H101 N O8 V2 -","- C76 H101 N O8 V2 -","- C304 H404 N4 O32 V8 -","4","2","","Redshaw, Carl; Warford, Lee; Dale, Sophie H.; Elsegood, Mark R. J.","Vanadyl complexes bearing bi- and triphenolate chelate ligands: highly active ethylene polymerisation procatalystsElectronic supplementary information (ESI) available: selected spectroscopic and polymerisation data. See http://www.rsc.org/suppdata/cc/b4/b406783e/","Chemical Communications","2004","","17","1954","1955","10.1039/b406783e","","","0.71073","MoKα","","0.1585","0.1097","","","0.2497","0.2733","","","","","","1.127","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111352","9.4522","0.0005","24.2311","0.0013","10.2669","0.0006","90","","92.921","0.002","90","","2348.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 N5 O3 V -","- C23 H30 N5 O3 V -","- C92 H120 N20 O12 V4 -","4","1","","Tomov, Atanas K.; Gibson, Vernon C.; Zaher, Damien; Elsegood, Mark R. J.; Dale, Sophie H.","Bis(benzimidazole)amine vanadium catalysts for olefin polymerisation and co-polymerisation: thermally robust, single-site catalysts activated by simple alkylaluminium reagentsElectronic supplementary information (ESI) available: experimental procedures for 2 and 3 and polymerisation protocols. See http://www.rsc.org/suppdata/cc/b4/b407065h/","Chemical Communications","2004","","17","1956","1957","10.1039/b407065h","","","0.71073","MoKα","","0.0477","0.034","","","0.0842","0.0932","","","","","","1.031","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111353","9.752","0.002","12.068","0.002","14.92","0.003","76.54","0.03","89.08","0.03","69.46","0.03","1594.9","0.7","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H78 N4 O6 P2 Pt -","- C74 H78 N4 O6 P2 Pt -","- C74 H78 N4 O6 P2 Pt -","1","0.5","","Stroh, Christophe; Mayor, Marcel; von H�nisch, Carsten; Turek, Philippe","Intramolecular exchange interaction in twofold spin-labelled platinum complexes","Chemical Communications","2004","","18","2050","2051","10.1039/b407067d","","","0.71073","MoKα","","0.0476","0.0474","","","0.1208","0.1217","","","","","","1.024","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111354","34.963","0.007","9.4928","0.0019","19.323","0.004","90","","119.33","0.03","90","","5591","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 N4 O4 P2 Pt -","- C66 H62 N4 O4 P2 Pt -","- C264 H248 N16 O16 P8 Pt4 -","4","0.5","","Stroh, Christophe; Mayor, Marcel; von H�nisch, Carsten; Turek, Philippe","Intramolecular exchange interaction in twofold spin-labelled platinum complexes","Chemical Communications","2004","","18","2050","2051","10.1039/b407067d","","","0.71073","MoKα","","0.0452","0.0362","","","0.0984","0.1018","","","","","","1.032","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111355","15.485","0.003","9.562","0.002","30.234","0.006","90","","104.052","0.004","90","","4342.7","1.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pd(ii) complex.ether","","","- C100 H88 F16 N6 O10 Pd -","- C100 H88 F16 N6 O10 Pd -","- C200 H176 F32 N12 O20 Pd2 -","2","0.5","","Hori, Akiko; Yamashita, Ken-ichi; Kusukawa, Takahiro; Akasaka, Akihiko; Biradha, Kumar; Fujita, Makoto","A circular tris[2]catenane from molecular ?figure-of-eight?Electronic supplementary information (ESI) available: physical properties of 1 and CSI-MS data for 1, (1)2, and (1)3. See http://www.rsc.org/suppdata/cc/b4/b407108e/","Chemical Communications","2004","","16","1798","1799","10.1039/b407108e","","","0.71073","MoKα","","0.1821","0.0917","","","0.2189","0.27","","","","","","0.96","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111356","15.25","0.0002","17.5684","0.0002","24.0749","0.0003","90","","95.117","0.005","90","","6424.4","0.15","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 F12 N16 O13 Pb2 S4 -","- C49 H42 F12 N16 O13 Pb2 S4 -","- C196 H168 F48 N64 O52 Pb8 S16 -","4","1","","Stadler, Adrian-Mihail; Kyritsakas, Nathalie; Lehn, Jean-Marie","Reversible folding/unfolding of linear molecular strands into helical channel-like complexes upon proton-modulated binding and release of metal ions","Chemical Communications","2004","","18","2024","2025","10.1039/b407168a","","","0.71073","Mo-Kα","","0.126","0.071","","0.254","","0.086","","","1.63","","","1.201","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111357","14.262","0.002","7.965","0.004","20.16","0.003","90","","94.64","0.01","90","","2282.6","1.2","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 S6 -","- C26 H14 S6 -","- C104 H56 S24 -","4","1","","Hara, Kenji; Hasegawa, Masashi; Kuwatani, Yoshiyuki; Enozawa, Hideo; Iyoda, Masahiko","Mono- and bis(tetrathiafulvaleno)hexadehydro[12]annulenesElectronic supplementary information (ESI) available: cyclic voltammograms of the annulenes 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b407200f/","Chemical Communications","2004","","18","2042","2043","10.1039/b407200f","","","0.7107","MoKα","","","0.0377","","","","0.0487","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111358","10.241","0.0002","7.034","0.0001","14.9794","0.0002","90","","111.497","0.001","90","","1003.98","0.03","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H38 Cu F2 N4 O5 -","- C14 H38 Cu F2 N4 O5 -","- C28 H76 Cu2 F4 N8 O10 -","2","1","","Fielden, John; Long, De-Liang; Cronin, Leroy","Secondary coordination sphere controlled reversible geometry reorganisations in copper(ii) complexes","Chemical Communications","2004","","19","2156","2157","10.1039/b407229d","","","0.71073","MoKα","","0.0224","0.021","","","0.0516","0.0525","","","","","","1.048","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111359","7.0993","0.0002","7.1315","0.0002","10.0059","0.0003","108.567","0.001","92.233","0.001","112.912","0.001","434.56","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Cu F2 N4 O4 -","- C12 H32 Cu F2 N4 O4 -","- C12 H32 Cu F2 N4 O4 -","1","0.5","","Fielden, John; Long, De-Liang; Cronin, Leroy","Secondary coordination sphere controlled reversible geometry reorganisations in copper(ii) complexes","Chemical Communications","2004","","19","2156","2157","10.1039/b407229d","","","0.71073","MoKα","","0.0202","0.0197","","","0.0522","0.0524","","","","","","1.067","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111360","27.4346","0.0009","12.8063","0.0009","14.2675","0.0009","90","","90","","90","","5012.7","0.5","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Dichloro((S)-(+)-2,2'-bis(dicyclohexylphosphino)-1,1'- binaphthyl)palladium","","","- C44 H56 Cl2 P2 Pd -","- C44 H56 Cl2 P2 Pd -","- C176 H224 Cl8 P8 Pd4 -","4","1","","Mikami, Koichi; Miyamoto, Takashi; Hatano, Manabu","A highly efficient asymmetric Suzuki?Miyaura coupling reaction catalyzed by cationic chiral palladium(ii) complexes","Chemical Communications","2004","","18","2082","2083","10.1039/b407250b","","","0.71069","MoKα","","0.095","0.0916","","","0.2671","0.272","","","","","","1.187","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111361","7.2305","0.0012","5.8513","0.001","7.7552","0.0013","90","","107.364","0.003","90","","313.15","0.09","203","2","203","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-aminothiphenol","","- C6 H7 N S -","- C6 H7 N S -","- C12 H14 N2 S2 -","2","1","","Jetti, Ram K. R.; Boese, Roland; Thakur, Tejender S.; Vangala, Venu R.; Desiraju, Gautam R.","Proton transfer and N(+)?H?S(?) hydrogen bonds in the crystal structure of 4-aminothiophenol","Chemical Communications","2004","","22","2526","2527","10.1039/b407319c","","","0.71073","MoKα","","0.0283","0.0277","","","0.0757","0.0767","","","","","","1.072","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111362","25.675","0.002","25.675","0.002","19.115","0.002","90","","90","","120","","10912.5","1.7","296","1","296","1","","","","","","","","6","P 63/m","-P 6c","176","","","","- C60 H14 F36 P2 Pt2 S4 -","- C60 H14 F36 P2 Pt2 S4 -","- C360 H84 F216 P12 Pt12 S24 -","6","0.5","","Villanueva, Luis; Arroyo, Maribel; Bern�s, Sylvain; Torrens, Hugo","Conversion of [Pt(SRf)2(PPh2 ? n(C6F5)n + 1)2] ( n = 0 or 1, Rf?C6HF4-4) through carbon?fluorine bond activation to [Pt(SRf)2(1,2-C6F4(SRf)-(PPh2))] and chiral [Pt(SRf)2(1,2-C6F4(SRf)(PPh(C6F5)))]Electronic Supplementary Information (ESI) available: experimental procedures and spectral data for all new compounds and crystallographic data for 5, 8 and 10. http://www.rsc.org/suppdata/cc/b4/b407328b/","Chemical Communications","2004","","17","1942","1943","10.1039/b407328b","","x-ray","0.71073","MoKα","","0.118","0.0542","","","0.1255","0.1528","","","","","","1.006","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111363","11.945","0.003","12.0754","0.0014","13.4898","0.0018","102.108","0.01","102.397","0.017","105.499","0.014","1756","0.6","293","1","293","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H13 F16 P Pt S3 -","- C36 H13 F16 P Pt S3 -","- C72 H26 F32 P2 Pt2 S6 -","2","1","","Villanueva, Luis; Arroyo, Maribel; Bern�s, Sylvain; Torrens, Hugo","Conversion of [Pt(SRf)2(PPh2 ? n(C6F5)n + 1)2] ( n = 0 or 1, Rf?C6HF4-4) through carbon?fluorine bond activation to [Pt(SRf)2(1,2-C6F4(SRf)-(PPh2))] and chiral [Pt(SRf)2(1,2-C6F4(SRf)(PPh(C6F5)))]Electronic Supplementary Information (ESI) available: experimental procedures and spectral data for all new compounds and crystallographic data for 5, 8 and 10. http://www.rsc.org/suppdata/cc/b4/b407328b/","Chemical Communications","2004","","17","1942","1943","10.1039/b407328b","","x-ray","0.71073","MoKα","","0.0713","0.0431","","","0.0807","0.1023","","","","","","1.167","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111364","11.8338","0.001","12.4575","0.0014","14.5848","0.0013","96.898","0.008","107.898","0.007","105.595","0.007","1921.9","0.4","296","1","296","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H8 F21 P Pt S3 -","- C36 H8 F21 P Pt S3 -","- C72 H16 F42 P2 Pt2 S6 -","2","1","","Villanueva, Luis; Arroyo, Maribel; Bern�s, Sylvain; Torrens, Hugo","Conversion of [Pt(SRf)2(PPh2 ? n(C6F5)n + 1)2] ( n = 0 or 1, Rf?C6HF4-4) through carbon?fluorine bond activation to [Pt(SRf)2(1,2-C6F4(SRf)-(PPh2))] and chiral [Pt(SRf)2(1,2-C6F4(SRf)(PPh(C6F5)))]Electronic Supplementary Information (ESI) available: experimental procedures and spectral data for all new compounds and crystallographic data for 5, 8 and 10. http://www.rsc.org/suppdata/cc/b4/b407328b/","Chemical Communications","2004","","17","1942","1943","10.1039/b407328b","","x-ray","0.71073","MoKα","","0.046","0.0348","","","0.0798","0.0849","","","","","","1.042","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111365","10.5609","0.0002","12.7878","0.0002","18.5575","0.0002","80.636","0.001","85.732","0.001","72.991","0.001","2363.69","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Cd2 N4 O15 -","- C48 H45 Cd2 N4 O15 -","- C96 H90 Cd4 N8 O30 -","2","1","","Bi, Wenhua; Cao, Rong; Sun, Daofeng; Yuan, Daqiang; Li, Xing; Wang, Yanqin; Li, Xiaoju; Hong, Maochun","Isomer separation, conformation control of flexible cyclohexanedicarboxylate ligand in cadmium complexes","Chemical Communications (Cambridge, United Kingdom)","2004","","18","2104","2105","10.1039/b407405j","","","0.71073","MoKα","","","0.0591","","","0.1061","0.125","","","","","","1.158","","","","has coordinates,has disorder","275110","2022-05-06","15:26:23",""
"7111366","11.6798","0.0002","13.006","0.0001","14.1926","0.0003","90.833","0.001","113.679","0.001","90.223","0.001","1974.13","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 Cd2 N4 O11.5 -","- C40 H36 Cd2 N4 O11.5 -","- C80 H72 Cd4 N8 O23 -","2","1","","Bi, Wenhua; Cao, Rong; Sun, Daofeng; Yuan, Daqiang; Li, Xing; Wang, Yanqin; Li, Xiaoju; Hong, Maochun","Isomer separation, conformation control of flexible cyclohexanedicarboxylate ligand in cadmium complexes","Chemical Communications (Cambridge, United Kingdom)","2004","","18","2104","2105","10.1039/b407405j","","","0.71073","MoKα","","","0.0552","","","0.1077","0.1289","","","","","","1.047","","","","has coordinates","275110","2022-05-06","15:26:24",""
"7111367","18.247","0.001","19.0596","0.0009","20.7977","0.0011","90.15","0.001","91.85","0.001","108.676","0.001","6848","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H43 B2 Cl2 F9 N8 O9 -","- C21 H41 B1.99975 Cl2.00025 F8.99998 N8 O9.00002 -","- C168 H328 B15.998 Cl16.002 F71.9998 N64 O72.0002 -","8","4","","Zhang, Bing-guang; Cai, Ping; Duan, Chun-ying; Miao, Ren; Zhu, Long-gen; Niitsu, Takashi; Inoue, Hakuai","Imidazolidinium-based robust crypt with unique selectivity for fluoride anion","Chemical Communications","2004","","19","2206","2207","10.1039/b407434c","","","0.71073","MoKα","","0.1923","0.0709","","","0.1177","0.1346","","","","","","0.981","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111368","10.41","0.002","17.524","0.004","18.478","0.004","71.761","0.004","88.852","0.004","88.393","0.004","3200","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H41 Cl3 N8 O13 -","- C21 H39 Cl3 N8 O13 -","- C84 H156 Cl12 N32 O52 -","4","2","","Zhang, Bing-guang; Cai, Ping; Duan, Chun-ying; Miao, Ren; Zhu, Long-gen; Niitsu, Takashi; Inoue, Hakuai","Imidazolidinium-based robust crypt with unique selectivity for fluoride anion","Chemical Communications","2004","","19","2206","2207","10.1039/b407434c","","","0.71073","MoKα","","0.1709","0.073","","","0.1263","0.1444","","","","","","0.983","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111369","5.4647","0.0001","7.9338","0.0002","43.4412","0.001","90","","90","","90","","1883.43","0.07","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","0.5","","Dey, Archan; Desiraju, Gautam R.; Mondal, Raju; Howard, Judith A. K.","Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series","Chemical Communications","2004","","22","2528","2529","10.1039/b407510b","","","0.71073","MoKα","","0.049","0.0417","","","0.1114","0.1168","","","","","","1.046","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111370","5.4523","0.0002","7.9556","0.0002","35.1453","0.0011","90","","90","","90","","1524.47","0.08","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","0.5","","Dey, Archan; Desiraju, Gautam R.; Mondal, Raju; Howard, Judith A. K.","Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series","Chemical Communications","2004","","22","2528","2529","10.1039/b407510b","","","0.71073","MoKα","","0.0456","0.0387","","","0.1069","0.1125","","","","","","1.166","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111371","5.4581","0.0002","7.9851","0.0003","51.7327","0.0016","90","","90","","90","","2254.69","0.14","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","0.5","","Dey, Archan; Desiraju, Gautam R.; Mondal, Raju; Howard, Judith A. K.","Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series","Chemical Communications","2004","","22","2528","2529","10.1039/b407510b","","","0.71073","MoKα","","0.067","0.0511","","","0.1415","0.1528","","","","","","1.106","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111372","16.794","0.003","13.764","0.003","20.044","0.004","90","","90","","90","","4633.2","1.6","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C33 H24 F9 N6 O17 S3 Yb -","- C33 H24 F9 N6 O17 S3 Yb -","- C132 H96 F36 N24 O68 S12 Yb4 -","4","0.5","","Hill, Robert J.; Long, De-Liang; Turvey, Mark S.; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Wilson, Claire; Schr�der, Martin","Unprecedented bilayer topologies in 5- and 6-connected framework polymersElectronic supplementary information (ESI) available: synthesis, characterisation, additional views and crystallographic details. See http://www.rsc.org/suppdata/cc/b4/b407554d/","Chemical Communications","2004","","16","1792","1793","10.1039/b407554d","","x-ray","0.71073","MoKα","","0.14","0.0965","","","0.2217","0.2489","","","","","","1.223","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111373","27.008","0.008","13.389","0.004","13.982","0.003","90","","106.29","0.02","90","","4853","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 La N7 O13 -","- C20 H16 La N7 O13 -","- C160 H128 La8 N56 O104 -","8","1","","Hill, Robert J.; Long, De-Liang; Turvey, Mark S.; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Wilson, Claire; Schr�der, Martin","Unprecedented bilayer topologies in 5- and 6-connected framework polymersElectronic supplementary information (ESI) available: synthesis, characterisation, additional views and crystallographic details. See http://www.rsc.org/suppdata/cc/b4/b407554d/","Chemical Communications","2004","","16","1792","1793","10.1039/b407554d","","","0.71073","MoKα","","0.0357","0.0292","","","0.0592","0.0634","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7111374","43.203","0.008","19.245","0.004","17.168","0.003","90","","90","","90","","14274","5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H43 Er I9 N11 O13 -","- C56 H43 Er I9 N11 O13 -","- C448 H344 Er8 I72 N88 O104 -","8","1","","Hill, Robert J.; Long, De-Liang; Turvey, Mark S.; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Wilson, Claire; Schr�der, Martin","Unprecedented bilayer topologies in 5- and 6-connected framework polymersElectronic supplementary information (ESI) available: synthesis, characterisation, additional views and crystallographic details. See http://www.rsc.org/suppdata/cc/b4/b407554d/","Chemical Communications","2004","","16","1792","1793","10.1039/b407554d","","","0.71073","MoKα","","0.0849","0.0788","","","0.166","0.169","","","","","","1.305","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111375","49.269","0.007","17.698","0.003","18.718","0.003","90","","105.946","0.003","90","","15693","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86.7 H91.8 B2 La N5 O11.7 -","- C86.7 H63 B2 La N5 O11.7 -","- C693.6 H504 B16 La8 N40 O93.6 -","8","1","","Hill, Robert J.; Long, De-Liang; Turvey, Mark S.; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Wilson, Claire; Schr�der, Martin","Unprecedented bilayer topologies in 5- and 6-connected framework polymersElectronic supplementary information (ESI) available: synthesis, characterisation, additional views and crystallographic details. See http://www.rsc.org/suppdata/cc/b4/b407554d/","Chemical Communications","2004","","16","1792","1793","10.1039/b407554d","","","0.71073","MoKα","","0.105","0.068","","","0.181","0.208","","","","","","1.048","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7111376","16.6846","0.0008","19.8749","0.0009","32.669","0.002","90","","100.664","0.002","90","","10646.1","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 Cl4 La N8 O21 -","- C46.875 H30 Cl3.75 La N8 O21 -","- C375 H240 Cl30 La8 N64 O168 -","8","2","","Hill, Robert J.; Long, De-Liang; Turvey, Mark S.; Blake, Alexander J.; Champness, Neil R.; Hubberstey, Peter; Wilson, Claire; Schr�der, Martin","Unprecedented bilayer topologies in 5- and 6-connected framework polymersElectronic supplementary information (ESI) available: synthesis, characterisation, additional views and crystallographic details. See http://www.rsc.org/suppdata/cc/b4/b407554d/","Chemical Communications","2004","","16","1792","1793","10.1039/b407554d","","","0.71073","MoKα","","0.096","0.0585","","","0.175","0.194","","","","","","1.07","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7111377","14.976","0.003","11.164","0.003","18.877","0.003","90","","101.59","0.009","90","","3091.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichlorobis(3,5-bis(p-decyloxyphenyl)pyrazolyl)ethane)zinc(II)","","- C12 H18 Cl2 N4 Zn -","- C12 H18 Cl2 N4 Zn -","- C96 H144 Cl16 N32 Zn8 -","8","2","","Giménez, Raquel; Belén Manrique, Ana; Uriel, Santiago; Barberá, Joaquín; Serrano, José Luis","Mesomorphism of a tetrahedral zinc complexElectronic supplementary information (ESI) available: characterization data for the novel compounds; microphotographs of the mesophase textures of compound [Zn(L2e)Cl2] and absorption and emission spectra for L2e and [Zn(L2e)Cl2].","Chemical Communications","2004","","18","2064","2065","10.1039/b407652d","","","0.71073","MoKα","","0.1112","0.0569","","","0.1269","0.1535","","","","","","1.033","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111378","23.7142","0.0016","23.7142","0.0016","38.246","0.005","90","","90","","120","","18627","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H348 Mn12 N48 O60 -","- C216.036 H186 Mn12 N48 O60.012 -","- C648.108 H558 Mn36 N144 O180.036 -","3","0.166667","","John, Rohith P.; Lee, Kyungjae; Lah, Myoung Soo","Novel 36-membered dodecanuclear manganese metalladiazamacrocycle","Chemical Communications","2004","","23","2660","2661","10.1039/b407668k","","","0.71073","MoKα","","0.1229","0.0591","","","0.149","0.1744","","","","","","0.936","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111379","13.5262","0.0003","19.7791","0.0005","21.9184","0.0006","90","","90","","90","","5864","0.3","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C71 H59 N7 O3 Ru -","- C71 H59 N7 O3 Ru -","- C284 H236 N28 O12 Ru4 -","4","1","","Omura, Kazufumi; Uchida, Tatsuya; Irie, Ryo; Katsuki, Tsutomu","Design of a robust Ru(salen) complex: aziridination with improved turnover number using N-arylsulfonyl azides as precursorsElectronic supplementary information (ESI) available: typical experimental procedures, determination of enantiomeric excess and elementary analysis for complexes 3 and 5. See http://www.rsc.org/suppdata/cc/b4/b407693a/","Chemical Communications","2004","","18","2060","2061","10.1039/b407693a","","","0.7107","MoKα","","","0.0591","","","","0.1598","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111380","24.551","0.002","13.3883","0.0012","13.7187","0.0012","90","","107.204","0.002","90","","4307.5","0.6","186","2","186","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene-N,N-dioxide","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene-N,N-dioxide","","- C28 H23 N2 O1.5 -","- C28 H23 N2 O1.5 -","- C224 H184 N16 O12 -","8","1","","Mei, Xuefeng; Wolf, Christian","A highly congested N,N?-dioxide fluorosensor for enantioselective recognition of chiral hydrogen bond donorsElectronic supplementary information (ESI) available: experimental procedures and analytical data for 1 including Stern?Volmer and Benesi?Hildebrand plots. See http://www.rsc.org/suppdata/cc/b4/b407718k/","Chemical Communications","2004","","18","2078","2079","10.1039/b407718k","","","0.71073","MoKα","","0.0776","0.0568","","","0.1498","0.1576","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111381","9.3392","0.0002","11.9326","0.0002","12.7412","0.0003","90","","90","","90","","1419.89","0.05","200","","200","","","","","","","","?","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B Cl N4 O S2 -","- C9 H16 B Cl N4 O S2 -","- C36 H64 B4 Cl4 N16 O4 S8 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.; Tshabang, Never; Willis, Anthony C.","Caveats for poly(methimazolyl)borate chemistry: the novel inorganic heterocycles [H2C(mt)2BR2]Cl (mt = methimazolyl; BR2 = BH2, BH(mt), 9?BBN)","Chemical Communications","2004","","16","1878","1879","10.1039/b407733d","","","0.71073","MoKα","","0.0299","0.0261","","0.0288","0.0267","0.0267","","","","","","1.1151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111382","22.5917","0.0003","8.065","0.0001","22.617","0.0004","90","","110.782","0.0006","90","","3852.75","0.1","200","","200","","","","","","","","?","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 B Cl N6 O S3 -","- C13 H20 B Cl N6 O S3 -","- C104 H160 B8 Cl8 N48 O8 S24 -","8","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.; Tshabang, Never; Willis, Anthony C.","Caveats for poly(methimazolyl)borate chemistry: the novel inorganic heterocycles [H2C(mt)2BR2]Cl (mt = methimazolyl; BR2 = BH2, BH(mt), 9?BBN)","Chemical Communications","2004","","16","1878","1879","10.1039/b407733d","","","0.71073","MoKα","","","0.0254","","","","0.0271","","","","","","1.0676","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111383","6.906","0.0014","10.705","0.002","16.144","0.003","90","","92.29","0.03","90","","1192.6","0.4","200","2","200","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H34 B Cl N4 O S2 -","- C21 H34 B Cl N4 O S2 -","- C42 H68 B2 Cl2 N8 O2 S4 -","2","0.5","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.; Tshabang, Never; Willis, Anthony C.","Caveats for poly(methimazolyl)borate chemistry: the novel inorganic heterocycles [H2C(mt)2BR2]Cl (mt = methimazolyl; BR2 = BH2, BH(mt), 9?BBN)","Chemical Communications","2004","","16","1878","1879","10.1039/b407733d","","","0.71073","MoKα","","0.0684","0.0537","","","0.1425","0.1518","","","","","","1.035","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111384","32.8976","0.0008","32.8976","0.0008","74.076","0.003","90","","90","","120","","69428","4","188","2","188","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H934 Mo132 N77 O844 Pr7 S30 -","- C20 Mo132 N40.2 O799 Pr4.082 S30 -","- C60 Mo396 N120.6 O2397 Pr12.246 S90 -","3","0.166667","","Müller, Achim; Zhou, Yunshan; Zhang, Lijuan; Bögge, Hartmut; Schmidtmann, Marc; Dressel, Martin; van Slageren, Joris","En route to coordination chemistry under confined conditions in a porous capsule: Pr3+ with different coordination shells","Chemical Communications","2004","","18","2038","2039","10.1039/b407753a","","","0.71073","MoKα","","0.0643","0.046","","","0.1328","0.1537","","","","","","1.115","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111385","7.46","0.0015","8.609","0.0017","18.302","0.004","77.02","0.03","85.05","0.03","89.89","0.03","1140.9","0.4","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N4 O7 -","- C22 H26 N4 O7 -","- C44 H52 N8 O14 -","2","1","","Chiu, Pauline; Leung, Sze Kar","Stoichiometric and catalytic reductive aldol cyclizations of alkynediones induced by Stryker's reagent","Chemical Communications","2004","","20","2308","2309","10.1039/b407842j","","","0.71069","MoKα","","0.0767","0.0556","","","0.1769","0.1912","","","","","","1.047","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111386","7.368","0.0015","9.186","0.0018","10.64","0.002","77.73","0.03","76.61","0.03","89.91","0.03","683.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Chiu, Pauline; Leung, Sze Kar","Stoichiometric and catalytic reductive aldol cyclizations of alkynediones induced by Stryker's reagent","Chemical Communications","2004","","20","2308","2309","10.1039/b407842j","","","0.71073","MoKα","","0.0743","0.0627","","","0.1825","0.1917","","","","","","1.105","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111387","14.2313","0.0011","14.2313","0.0011","19.413","0.002","90","","90","","90","","3931.7","0.6","193","2","193","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C6 H26 Cl12 N6 Na4 Nb6 O13 -","- C6 Cl12 N6 Na4 Nb6 O13 -","- C24 Cl48 N24 Na16 Nb24 O52 -","4","0.125","","Yan, Bangbo; Day, Cynthia S.; Lachgar, Abdessadek","Octahedral metal clusters as building units in a neutral layered honeycomb network, [Zn(en)]2[Nb6Cl12(CN)6]","Chemical Communications","2004","","21","2390","2391","10.1039/b408000a","","","0.71073","MoKα","","0.0702","0.0489","","","0.0936","0.1012","","","","","","1.169","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111388","10.8914","0.001","10.8914","0.001","8.685","0.0017","90","","90","","120","","892.2","0.2","193","2","193","2","","","","","","","","6","P -3","-P 3","147","","","","- C10 H16 Cl12 N10 Nb6 Zn2 -","- C10.02 Cl12 N9.96 Nb6 Zn2 -","- C10.02 Cl12 N9.96 Nb6 Zn2 -","1","0.166667","","Yan, Bangbo; Day, Cynthia S.; Lachgar, Abdessadek","Octahedral metal clusters as building units in a neutral layered honeycomb network, [Zn(en)]2[Nb6Cl12(CN)6]","Chemical Communications","2004","","21","2390","2391","10.1039/b408000a","","x-ray","0.71073","MoKα","","0.0917","0.0568","","","0.1154","0.1307","","","","","","1.076","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111389","8.25","0.002","8.4061","0.0014","9.973","0.0014","95.405","0.016","99.22","0.02","111.029","0.018","628.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","bis-(Di-t-butylphosphido)-bis-(η^2^-ethylene-platinum)","","- C20 H44 P2 Pt2 -","- C20 H44 P2 Pt2 -","- C20 H44 P2 Pt2 -","1","0.5","","Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Passarelli, Vincenzo","Structure and protonation of the bis-ethylene adduct [Pt(�-PBut2)(?2-CH2?CH2)]2. Pt?H?P agostic interaction and proton scrambling","Chemical Communications","2004","","20","2346","2347","10.1039/b408081e","","","0.71073","MoKα","","0.0427","0.0375","","","0.086","0.0886","","","","","","1.095","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111390","15.1464","0.0012","8.7729","0.0007","16.6884","0.0013","90","","105.087","0.001","90","","2141.1","0.3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Ag F3 N2 O3 S3 -","- C19 H16 Ag F3 N2 O3 S3 -","- C76 H64 Ag4 F12 N8 O12 S12 -","4","1","","Oh, Moonhyun; Stern, Charlotte L.; Mirkin, Chad A.","Coordination polymers with macrocyclic cages and pockets within their backbones","Chemical Communications","2004","","23","2684","2685","10.1039/b408084j","","","0.71073","MoKα","","0.0513","0.0363","","","0.0889","0.0974","","","","","","1.043","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111391","7.9335","0.0006","12.9848","0.001","14.946","0.0011","86.78","0.001","80.904","0.001","75.863","0.001","1474.01","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 Ag F3 N3 O3 S4 -","- C28 H24 Ag F3 N3 O3 S4 -","- C56 H48 Ag2 F6 N6 O6 S8 -","2","1","","Oh, Moonhyun; Stern, Charlotte L.; Mirkin, Chad A.","Coordination polymers with macrocyclic cages and pockets within their backbones","Chemical Communications","2004","","23","2684","2685","10.1039/b408084j","","","0.71073","MoKα","","0.0417","0.0328","","","0.0804","0.0858","","","","","","1.031","","","","has coordinates,has disorder","180227","2020-10-21","18:00:00",""
"7111392","27.673","0.003","27.673","0.003","7.458","0.001","90","","90","","120","","4946.1","1","293","2","293","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C54 H66 Br3 Cu3 N6 Na O27 Sr -","- C54 H66 Br3 Cu3 N6 Na O27 Sr -","- C162 H198 Br9 Cu9 N18 Na3 O81 Sr3 -","3","0.333333","","Liu, Wenlong; Song, You; Li, Yizhi; Zou, Yang; Dang, Dongbin; Ni, Chunlin; Meng, Qingjin","Self-assembly of a 1D heterotrimetallic Cu(ii)-Sr(ii)-Na(i) propeller-like chiral coordination polymer with ferromagnetic interactions","Chemical Communications","2004","","20","2348","2349","10.1039/b408205b","","","0.71073","MoKα","","0.0637","0.0493","","","0.1005","0.104","","","","","","1.015","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111393","10.4258","0.0005","10.8203","0.0011","12.1234","0.0005","114.307","0.007","105.416","0.006","94.686","0.008","1172.79","0.17","173","","173","","","","","","","","?","6","P -1","-P 1","2","","","","- Cl14 Co6 H58 N14 O14 Zn4 -","- Cl14 Co6 H58 N14 O14 Zn4 -","- Cl14 Co6 H58 N14 O14 Zn4 -","1","0.5","","Jackson, W. Gregory; McKeon, Josephine A.; Zehnder, Margareta; Neuberger, Markus; Fallab, Silvio","The rediscovery of Alfred Werner's second hexol","Chemical Communications","2004","","20","2322","2323","10.1039/b408277j","","","0.71073","MoKα","","0.0238","0.0219","","0.0275","0.0263","0.0263","","","","","","0.9863","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111394","24.1134","0.0006","19.5324","0.0005","25.0854","0.0006","90","","100.015","0.001","90","","11635","0.5","293","","293","","","","","","","","?","3","P 1 n 1","P -2yac","7","","","","- Mo3 O22.5 P6 -","- Mo3 O22.5 P6 -","- Mo84 O630 P168 -","28","14","","Lister, Sarah E.; Radosavljevic Evans, Ivana; Howard, Judith A. K.; Coelho, Alan; Evans, John S. O.","Mo2P4O15? the most complex oxide structure solved by single crystal methods?","Chemical Communications","2004","","22","2540","2541","10.1039/b408413f","","","0.71073","MoKα","","0.0403","0.0349","","0.0634","0.0599","0.0599","","","","","","0.8626","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111395","5.973","0.006","42.691","0.009","12.856","0.007","90","","100.52","0.07","90","","3223","4","303.2","","303.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 N3 O4 -","- C33 H48 N3 O4 -","- C132 H192 N12 O16 -","4","1","","Fujino, Masahiro; Amano, Takamitsu; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi","Azobenzene derivatives with a long alkyl chain and aminoxyls","Chemical Communications","2004","","20","2310","2311","10.1039/b408432b","","","0.7107","MoKα","","0.0611","0.061","","0.056","","0.056","","","1.957","","","1.96","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111396","6.675","0.0007","11.85","0.002","20.811","0.002","75.756","0.008","81.813","0.003","75.557","0.002","1539.3","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N3 O4 -","- C32 H46 N3 O4 -","- C64 H92 N6 O8 -","2","1","","Fujino, Masahiro; Amano, Takamitsu; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi","Azobenzene derivatives with a long alkyl chain and aminoxyls","Chemical Communications","2004","","20","2310","2311","10.1039/b408432b","","","0.7107","MoKα","","0.298","0.1767","","0.137","","0.0813","","","","","","1.1465","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111397","5.858","0.001","7.629","0.001","28.237","0.003","90","","97.97","0.01","90","","1249.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-13-azabicyclo[12.2.0]tetradecan-14-one","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","F�bi�n, L�szl�; K�lm�n, Alajos; Argay, Gyula; Bern�th, G�bor; Gyarmati, Zsuzsanna Cs.","Two polymorphs of a ?-lactam (trans-13-azabicyclo[10.2.0]tetradecan-14-one). Concomitant crystal polymorphism and isostructurality","Chemical Communications","2004","","18","2114","2115","10.1039/b408505a","","","1.54184","CUkα","","0.071","0.0389","","","0.1121","0.1192","","","","","","1.104","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111398","5.962","0.001","7.267","0.001","28.689","0.001","90","","94.9","0.01","90","","1238.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-13-azabicyclo[12.2.0]tetradecan-14-one","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","F�bi�n, L�szl�; K�lm�n, Alajos; Argay, Gyula; Bern�th, G�bor; Gyarmati, Zsuzsanna Cs.","Two polymorphs of a ?-lactam (trans-13-azabicyclo[10.2.0]tetradecan-14-one). Concomitant crystal polymorphism and isostructurality","Chemical Communications","2004","","18","2114","2115","10.1039/b408505a","","","1.54184","CUkα","","0.1221","0.083","","","0.2765","0.2907","","","","","","1.072","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111399","6.757","0.001","7.544","0.001","7.809","0.001","68.54","0.01","86.53","0.01","69.96","0.01","347.08","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 Cd O6 -","- C4 H6 Cd O6 -","- C8 H12 Cd2 O12 -","2","1","","Michaelides, Adonis; Skoulika, Stavroula; Siskos, Michael G.","Assembly of a photoreactive coordination polymer containing rectangular grids","Chemical Communications","2004","","21","2418","2419","10.1039/b408522a","","","0.71073","MoKα","","0.032","0.0296","","","0.0755","0.0774","","","","","","1.099","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111400","10.7254","0.0006","11.9768","0.0009","24.98","0.002","90","","91.273","0.004","90","","3208","0.4","299","","299","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N2 O3 S -","- C15 H23 N2 O3 S -","- C120 H184 N16 O24 S8 -","8","4","","Risberg, Erik; Fischer, Andreas; Somfai, Peter","Asymmetric radical additions of trialkylboranes to 2H-azirine-3-carboxylates","Chemical Communications","2004","","18","2088","2089","10.1039/b408532a","","","0.71073","MoKα","","0.0851","0.059","","","0.1122","0.1255","","","","","","1.141","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111401","9.833","0.002","11.107","0.002","12.615","0.003","74.884","0.003","89.323","0.004","69.755","0.003","1243.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Na Ni3 O21 S2 -","- C16 H15 Na Ni3 O21 S2 -","- C32 H30 Na2 Ni6 O42 S4 -","2","1","","Kim, Dae Sung; Forster, Paul M.; Le Toquin, Ronan; Cheetham, Anthony K.","A thermally stable nanoporous nickel 5-sulfoisophthalate; crystal structure and adsorption properties","Chemical Communications","2004","","19","2148","2149","10.1039/b408535c","","","0.71073","MoKα","","0.0371","0.0299","","","0.079","0.0811","","","","","","0.991","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111402","15.2312","0.0013","15.2312","0.0013","15.2312","0.0013","90","","90","","90","","3533.5","0.5","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","Li Sr2 C N2 I3","","","- C I3 Li N2 Sr2 -","- C I3 Li N2 Sr2 -","- C16 I48 Li16 N32 Sr32 -","16","0.0833333","","Liao, Wuping; von Appen, J�rg; Dronskowski, Richard","LiSr2(NCN)I3: the first empty tetrahedral strontium(ii) entity coordinated by carbodiimide units but without strontium?strontium bonding","Chemical Communications","2004","","20","2302","2303","10.1039/b408647c","","","0.71073","MoKα","","0.0215","0.0189","","","0.0468","0.0475","","","","","","1.141","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111403","16.2051","0.0001","16.287","0.0001","30.0989","0.0003","90","","90","","90","","7944.08","0.11","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin trihydrate","heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin trihydrate","","- C63 H118 O38 -","- C63 H106 O37.86 -","- C252 H424 O151.44 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Mhlongo, Welcome T.; Dean, Pamela M.","New crystalline forms of permethylated ?-cyclodextrin","Chemical Communications","2004","","19","2216","2217","10.1039/b408660k","","","0.71073","MoKα","","0.082","0.0632","","","0.1621","0.176","","","","","","1.026","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111404","15.9509","0.0001","16.5772","0.0001","28.9413","0.0002","90","","90","","90","","7652.69","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin","heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin","","- C63 H112 O35 -","- C63 H112 O35 -","- C252 H448 O140 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Mhlongo, Welcome T.; Dean, Pamela M.","New crystalline forms of permethylated ?-cyclodextrin","Chemical Communications","2004","","19","2216","2217","10.1039/b408660k","","","0.71073","MoKα","","0.0609","0.0531","","","0.1269","0.1304","","","","","","1.107","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111405","9.2575","0.0002","12.7846","0.0003","14.9507","0.0005","97.761","0.001","95.264","0.001","103.25","0.001","1692.72","0.08","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18,24,27(31), 28-decaene-31,32-diol","","- C44 H40 O6 -","- C44 H40 O6 -","- C88 H80 O12 -","2","1","","Higham, Luke T.; Kreher, Ulf P.; Mulder, Roger J.; Strauss, Christopher R.; Scott, Janet L.","Solvent-mediated self-association of a Horning-crown macrocycle","Chemical Communications","2004","","20","2264","2265","10.1039/b408814j","","","0.71073","MoKα","","0.1008","0.0498","","","0.0942","0.11","","","","","","1.024","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111406","10.7695","0.0002","12.473","0.0002","14.8399","0.0004","82.229","0.001","71.597","0.001","81.08","0.001","1860.66","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3,4:9,10:18,19:24,25-Tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18,24,27(31), 28-decaene-31,32-diol dichloromethane solvate","","- C45 H42 Cl2 O6 -","- C45 H40 Cl2 O6 -","- C90 H80 Cl4 O12 -","2","1","","Higham, Luke T.; Kreher, Ulf P.; Mulder, Roger J.; Strauss, Christopher R.; Scott, Janet L.","Solvent-mediated self-association of a Horning-crown macrocycle","Chemical Communications","2004","","20","2264","2265","10.1039/b408814j","","","0.71073","MoKα","","0.1148","0.0505","","","0.1085","0.126","","","","","","0.978","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111407","15.01","0.0002","15.859","0.0001","16.224","0.0002","106.069","0.0006","92.015","0.0007","94.948","0.0006","3690.26","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H90 O8 P2 Rh2 Si6 -","- C58 H82 O8 P2 Rh2 Si6 -","- C116 H164 O16 P4 Rh4 Si12 -","2","1","","Estevan, Francisco; Lahuerta, Pascual; Lloret, Julio; Sana�, Mercedes; Ubeda, M. Angeles; Vila, Jaume","Enantio- and diastereocontrol in intermolecular cyclopropanation reaction of styrene catalyzed by dirhodium(ii) complexes with bulky ortho-metalated aryl phosphines","Chemical Communications","2004","","21","2408","2409","10.1039/b408856e","","","1.54184","CuKα","","0.1094","0.0951","","","0.254","0.2746","","","","","","1.14","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111408","11.943","0.0019","14.431","0.002","19.402","0.003","89.378","0.003","89.819","0.004","70.374","0.003","3149.5","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H66 O3 Pb2 -","- C78 H54 O3 Pb2 -","- C156 H108 O6 Pb4 -","2","1","","Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Yang, Xiao-Juan; Robinson, Gregory H.","New Pb?Pb bonds: syntheses and molecular structures of hexabiphenyldiplumbane and tri(trisbiphenylplumbyl)plumbate","Chemical Communications","2004","","19","2224","2225","10.1039/b408860n","","","0.71073","MoKα","","0.1101","0.0589","","","0.107","0.1197","","","","","","1.082","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111409","19.222","0.003","19.329","0.003","20.958","0.003","77.52","0.004","85.906","0.004","67.523","0.003","7024.7","1.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H147 Cl3 Mg2 O7 Pb4 -","- C148 H147 Cl3 Mg2 O7 Pb4 -","- C296 H294 Cl6 Mg4 O14 Pb8 -","2","1","","Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Yang, Xiao-Juan; Robinson, Gregory H.","New Pb?Pb bonds: syntheses and molecular structures of hexabiphenyldiplumbane and tri(trisbiphenylplumbyl)plumbate","Chemical Communications","2004","","19","2224","2225","10.1039/b408860n","","","0.71073","MoKα","","0.1273","0.0564","","","0.1231","0.1607","","","","","","1.017","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111410","12.306","0.003","20.59","0.004","21.349","0.004","79.75","0.004","74.872","0.005","85.978","0.005","5137","1.9","125","2","125","2","","","","","","","","5","P 1","P 1","1","calix[4]arene dihydroxyphosphonic acid D-Arginine","","","- C148 H232 N24 O101.7 S16 -","- C148 H119 N24 O101.7 S16 -","- C148 H119 N24 O101.7 S16 -","1","1","","Lazar, Adina; Da Silva, Eric; Navaza, Alda; Barbey, Carole; Coleman, Anthony W.","A new packing motif for para-sulfonatocalix[4]arene: the solid state structure of the para-sulfonatocalix[4]arene d-arginine complex","Chemical Communications","2004","","19","2162","2163","10.1039/b408863h","","","0.71073","MoKα","","0.2224","0.097","","","0.2065","0.2592","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111411","18.4013","0.0008","18.4013","0.0008","9.6305","0.0009","90","","90","","120","","2824.1","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C40 H30 Cu2 N2 O10 -","- C40.3 H30 Cu2 N2 O10.3 -","- C120.9 H90 Cu6 N6 O30.9 -","3","0.5","","Perry, John J.; McManus, Gregory J.; Zaworotko, Michael J.","Sextuplet phenyl embrace in a metal?organic Kagom� lattice","Chemical Communications","2004","","22","2534","2535","10.1039/b408973a","","x-ray","0.71073","MoKα","","0.0546","0.0421","","","0.097","0.1094","","","","","","1.136","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111412","18.291","0.0017","10.0442","0.0005","18.1511","0.0016","90","","117.179","0.01","90","","2966.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N P -","- C32 H42 N P -","- C128 H168 N4 P4 -","4","1","","Boer�, Ren� T.; Cole, Marcus L.; Junk, Peter C.; Masuda, Jason D.; Wolmersh�user, Gotthelf","An N,P-disubstituted-2-aminophosphaalkene and lithium and potassium complexes of the deprotonated ?phosphaamidinate? anion","Chemical Communications","2004","","22","2564","2565","10.1039/b408994d","","","0.71073","MoKα","","0.0954","0.046","","","0.1056","0.1217","","","","","","0.814","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111413","10.9877","0.0003","17.6089","0.0005","21.4172","0.0008","90","","91.279","0.001","90","","4142.8","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Li(N,P-Dipamidine)(THF)3)","","","- C44 H65 Li N O3 P -","- C44 H65 Li N O3 P -","- C176 H260 Li4 N4 O12 P4 -","4","1","","Boer�, Ren� T.; Cole, Marcus L.; Junk, Peter C.; Masuda, Jason D.; Wolmersh�user, Gotthelf","An N,P-disubstituted-2-aminophosphaalkene and lithium and potassium complexes of the deprotonated ?phosphaamidinate? anion","Chemical Communications","2004","","22","2564","2565","10.1039/b408994d","","x-ray","0.71073","MoKα","","0.1945","0.0599","","","0.1098","0.1425","","","","","","0.967","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111414","35.6979","0.0005","12.2579","0.0004","24.118","0.0005","90","","131.306","0.002","90","","7927.8","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","((K(N,P-Dipamidine)(THF))n).nTHF","","","- C40 H57 K N O2 P -","- C40 H57 K N O2 P -","- C320 H456 K8 N8 O16 P8 -","8","1","","Boer�, Ren� T.; Cole, Marcus L.; Junk, Peter C.; Masuda, Jason D.; Wolmersh�user, Gotthelf","An N,P-disubstituted-2-aminophosphaalkene and lithium and potassium complexes of the deprotonated ?phosphaamidinate? anion","Chemical Communications","2004","","22","2564","2565","10.1039/b408994d","","x-ray","0.71073","MoKα","","0.2776","0.0892","","","0.1638","0.2221","","","","","","0.975","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111415","11.84","0.03","7.874","0.007","17.51","0.04","90","","90","","90","","1632","6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Cu3 N6 S3 -","- C12 H9 Cu3 N6 S3 -","- C48 H36 Cu12 N24 S12 -","4","1","","Han, Lei; Hong, Maochun; Wang, Ruihu; Wu, Benlai; Xu, Ying; Lou, Benyong; Lin, Zhengzhong","Red luminescent polymeric cuprous organosulfide generated by solvothermal redox reaction","Chemical Communications","2004","","22","2578","2579","10.1039/b409000d","","","0.71073","MoKα","","0.0759","0.0579","","","0.0962","0.1044","","","","","","1.062","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111416","21.035","0.004","53.449","0.016","12.472","0.003","90","","91.67","0.03","90","","14016","6","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ce2 H63 K10 O144 P3 W32 -","- Ce2 K10 O144 P3 W32 -","- Ce8 K40 O576 P12 W128 -","4","0.5","","Sousa, Filipa L.; Almeida Paz, Filipe A.; Cavaleiro, Ana M. V.; Klinowski, Jacek; Nogueira, Helena I. S.","Novel cerium(iv) heteropolyoxotungstate containing two types of lacunary Keggin anions","Chemical Communications","2004","","23","2656","2657","10.1039/b409034a","","","0.71073","MoKα","","0.089","0.0752","","","0.1669","0.1723","","","","","","1.23","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111417","10.1427","0.0004","11.1134","0.0004","16.1543","0.0006","90","","90","","90","","1820.91","0.12","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl N2 O Ru -","- C19 H23 Cl N2 O Ru -","- C76 H92 Cl4 N8 O4 Ru4 -","4","1","","Munslow, Ian J.; Wade, Andrew R.; Deeth, Robert J.; Scott, Peter","Aminooxazolinate; a chiral amidinate analogue","Chemical Communications","2004","","22","2596","2597","10.1039/b409113b","","","0.71073","MoKα","","0.0598","0.0368","","","0.0608","0.0662","","","","","","0.933","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111418","10.1903","0.0002","17.3251","0.0004","25.7931","0.0004","90","","90","","90","","4553.72","0.16","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 N4 O2 Zr -","- C44 H56 N4 O2 Zr -","- C176 H224 N16 O8 Zr4 -","4","1","","Munslow, Ian J.; Wade, Andrew R.; Deeth, Robert J.; Scott, Peter","Aminooxazolinate; a chiral amidinate analogue","Chemical Communications","2004","","22","2596","2597","10.1039/b409113b","","","0.71073","MoKα","","0.1961","0.0892","","","0.1873","0.239","","","","","","1.087","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111419","10.2335","0.0006","15.6579","0.0009","12.9042","0.0007","90","","100.571","0.001","90","","2032.6","0.2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Cl N2 O Ru -","- C21 H27 Cl N2 O Ru -","- C84 H108 Cl4 N8 O4 Ru4 -","4","1","","Munslow, Ian J.; Wade, Andrew R.; Deeth, Robert J.; Scott, Peter","Aminooxazolinate; a chiral amidinate analogue","Chemical Communications","2004","","22","2596","2597","10.1039/b409113b","","","0.71073","MoKα","","0.1432","0.0942","","","0.1697","0.1947","","","","","","1.131","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111420","7.608","0.002","11.932","0.004","13.936","0.004","102.633","0.005","96.003","0.005","103.18","0.005","1186","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Br2 N O S -","- C26 H27 Br2 N O S -","- C52 H54 Br4 N2 O2 S2 -","2","1","","Clayden, Jonathan; Turnbull, Rachel; Helliwell, Madeleine; Pinto, Ivan","Dearomatising rearrangements of lithiated thiophenecarboxamides","Chemical Communications","2004","","21","2430","2431","10.1039/b409150g","","","0.71073","MoKα","","0.0418","0.0331","","","0.0838","0.0875","","","","","","1.059","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111421","10.321","0.003","3.6475","0.0009","8.393","0.002","90","","119.895","0.005","90","","273.92","0.12","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Hf Mo Sb4 -","- Hf1.002 Mo0.998 Sb4 -","- Hf2.004 Mo1.996 Sb8 -","2","0.25","","Derakhshan, Shahab; Kleinke, Katja M.; Dashjav, Enkhtsetseg; Kleinke, Holger","HfMoSb4, the first nonmetallic early transition metal antimonide","Chemical Communications","2004","","21","2428","2429","10.1039/b409225b","","","0.71073","MoKα","","0.0648","0.0426","","","0.0883","0.0913","","","","","","0.96","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111422","14.5847","0.0008","14.7332","0.0009","14.7698","0.0009","103.271","0.001","99.465","0.001","105.276","0.001","2893.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H45 Cl N7 Ni -","- C27 H45 Cl N7 Ni -","- C108 H180 Cl4 N28 Ni4 -","4","2","","Hu, Xile; Castro-Rodriguez, Ingrid; Meyer, Karsten","Synthesis and characterization of electron-rich nickel tris-carbene complexes","Chemical Communications","2004","","19","2164","2165","10.1039/b409241d","","","0.71073","MoKα","","0.0711","0.0495","","","0.1078","0.1145","","","","","","0.96","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111423","14.0195","0.0003","14.0195","0.0003","14.0195","0.0003","90","","90","","90","","2755.48","0.1","100","2","100","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C27 H45 N7 Ni -","- C27 H45 N7 Ni -","- C108 H180 N28 Ni4 -","4","0.333333","","Hu, Xile; Castro-Rodriguez, Ingrid; Meyer, Karsten","Synthesis and characterization of electron-rich nickel tris-carbene complexes","Chemical Communications","2004","","19","2164","2165","10.1039/b409241d","","","0.71073","MoKα","","0.0229","0.0225","","","0.0555","0.0557","","","","","","1.113","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111424","9.4407","0.0006","13.4608","0.0006","13.6781","0.0008","61.9167","0.0007","84.9358","0.0008","75.068","0.0011","1480.66","0.14","16","2","16","2","","","","","","","","6","P -1","-P 1","2","[Rh2(dimen)4](PF6)2xCH3CN","dirhodium(I) tetrakis-1,8-diisocyano-p-menthane hexafluorophosphate acetonitrile solvate","","- C50 H75 F12 N9 P2 Rh2 -","- C50 H74.992 F12 N9 P2 Rh2 -","- C50 H74.992 F12 N9 P2 Rh2 -","1","0.5","","Coppens, Philip; Gerlits, Oksana; Vorontsov, Ivan I.; Kovalevsky, Andrey Yu.; Chen, Yu-Sheng; Graber, Tim; Gembicky, Milan; Novozhilova, Irina V.","A very large Rh?Rh bond shortening on excitation of the [Rh2(1,8-diisocyano-p-menthane)4]2+ ion by time-resolved synchrotron X-ray diffraction","Chemical Communications","2004","","19","2144","2145","10.1039/b409463h","","","0.49594","synchrotron","","0.0396","0.0357","","","0.092","0.0936","","","","","","1.058","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7111425","29.477","0.003","29.477","0.003","22.178","0.004","90","","90","","120","","16689","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C154 H220 N6 Ni32 O56 Pt24 -","- C153.98 H219.96 N6 Ni32.04 O56 Pt24.002 -","- C461.94 H659.88 N18 Ni96.12 O168 Pt72.006 -","3","0.166667","","Femoni, Cristina; Iapalucci, M. Carmela; Longoni, Giuliano; Svensson, Per H.","New high-nuclearity Ni?Pt carbonyl clusters: synthesis and X-ray structure of the ordered [HNi24Pt17(CO)46]5? and the substitutionally Ni/Pt disordered [Ni32Pt24(CO)56]6? cluster anions","Chemical Communications","2004","","20","2274","2275","10.1039/b409522g","","","0.71073","MoKα","","0.2363","0.0655","","","0.1613","0.2012","","","","","","0.81","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111426","18.2062","0.0012","27.2512","0.0017","18.6529","0.0012","90","","98.417","0.002","90","","9154.8","1","273","2","273","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C126 H180 N5 Ni24 O46 Pt17 -","- C126 H180 N5 Ni24 O46 Pt17 -","- C252 H360 N10 Ni48 O92 Pt34 -","2","1","","Femoni, Cristina; Iapalucci, M. Carmela; Longoni, Giuliano; Svensson, Per H.","New high-nuclearity Ni?Pt carbonyl clusters: synthesis and X-ray structure of the ordered [HNi24Pt17(CO)46]5? and the substitutionally Ni/Pt disordered [Ni32Pt24(CO)56]6? cluster anions","Chemical Communications","2004","","20","2274","2275","10.1039/b409522g","","","0.71073","MoKα","","0.1218","0.0539","","","0.1323","0.1512","","","","","","1.007","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111427","25.283","0.017","25.283","0.017","10.962","0.011","90","","90","","120","","6068","8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23.33 H30 Fe N10.67 S2 -","- C23.3267 H30.04 Fe N10.66 S2 -","- C209.94 H270.36 Fe9 N95.94 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.1016","0.0574","","","0.1323","0.1674","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111428","25.2831","0.0014","25.2831","0.0014","10.9463","0.0013","90","","90","","120","","6059.8","0.9","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H28 Fe N10 S2 -","- C22 H28 Fe N10 S2 -","- C198 H252 Fe9 N90 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.0822","0.0421","","","0.0851","0.1008","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111429","25.3021","0.0014","25.3021","0.0014","10.9672","0.0013","90","","90","","120","","6080.5","0.9","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22.55 H28.82 Fe N10.27 S2 -","- C22.5487 H28.8244 Fe N10.274 S2 -","- C202.938 H259.42 Fe9 N92.466 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.0699","0.0369","","","0.0714","0.0858","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111430","25.39","0.005","25.39","0.005","10.986","0.005","90","0.005","90","0.005","120","0.005","6133","3","375","2","375","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22.8 H29.2 Fe N10.4 S2 -","- C22.8033 H29.2 Fe N10.402 S2 -","- C205.23 H262.8 Fe9 N93.618 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71069","MoKα","","0.1513","0.0695","","","0.1061","0.1358","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111431","25.501","0.002","25.501","0.002","11.0385","0.0018","90","","90","","120","","6216.6","1.2","375","2","375","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22.66 H29 Fe N10.33 S2 -","- C22.664 H28.996 Fe N10.332 S2 -","- C203.976 H260.964 Fe9 N92.988 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.1365","0.0592","","","0.1031","0.138","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111432","25.4548","0.0018","25.4548","0.0018","11.0215","0.0015","90","","90","","120","","6184.6","1","375","2","375","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22.59 H28.88 Fe N10.29 S2 -","- C22.5873 H28.876 Fe N10.294 S2 -","- C203.286 H259.884 Fe9 N92.646 S18 -","9","0.5","","Ganesan, Prasad V.; Kepert, Cameron J.","Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction","Chemical Communications","2004","","19","2168","2169","10.1039/b409543j","","","0.71073","MoKα","","0.1275","0.056","","","0.1006","0.1356","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111433","33.747","0.002","10.2041","0.0005","31.427","0.001","90","","91.242","0.001","90","","10819.6","0.9","298.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 Ge -","- C60 H72 Ge -","- C480 H576 Ge8 -","8","1","","Wong, Wai-Yeung; Poon, Suk-Yue; Lee, Albert W.-M.; Shi, Jian-Xin; Cheah, Kok-Wai","Oligo(fluorenyleneethynylenegermylene)s and their metallopolymers","Chemical Communications","2004","","21","2420","2421","10.1039/b409580d","","","0.7107","MoKα","","","0.086","","","","0.105","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111434","9.1566","0.0007","12.0396","0.0009","26.852","0.002","90","","97.021","0.002","90","","2938","0.4","298","1","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C70 H76 Ge -","- C70 H76 Ge -","- C140 H152 Ge2 -","2","0.5","","Wong, Wai-Yeung; Poon, Suk-Yue; Lee, Albert W.-M.; Shi, Jian-Xin; Cheah, Kok-Wai","Oligo(fluorenyleneethynylenegermylene)s and their metallopolymers","Chemical Communications","2004","","21","2420","2421","10.1039/b409580d","","","0.7107","MoKα","","","0.051","","","","0.053","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111435","12.983","0.0001","14.092","0.0001","14.671","0.0002","115.702","0.0005","100.03","0.0005","102.11","0.0006","2255.13","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","((L)(triphenylphosphine)Silver)(0.5 acetone) (L= hydrotris(3,5-dimethyl-4-(4-pyridyl)pyrazolyl)borate)","[(L)(triphenylphosphine)Silver](0.5 acetone) (L= hydrotris(3,5-dimethyl-4-(4-pyridyl)pyrazolyl)borate)","","- C49.5 H49 Ag B N9 O0.5 P -","- C49.5 H49 Ag B N9 O0.5 P -","- C99 H98 Ag2 B2 N18 O P2 -","2","1","","Youm, Kyoung-Tae; Huh, Seong; Park, Young Jun; Park, Sangwoo; Choi, Moon-Gun; Jun, Moo-Jin","Non-interpenetrating honeycomb-like 2D [6,3] network built by a novel trigonal metalloligand","Chemical Communications","2004","","21","2384","2385","10.1039/b409596k","","","0.71073","MoKα","","0.0547","0.0384","","","0.0925","0.1009","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111436","18.4633","0.0015","36.227","0.003","21.1806","0.0018","90","","107.75","0.002","90","","13492.7","1.9","233","2","233","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H64 Ag B N9 O12 P Rh3 -","- C60 H64 Ag B N9 O12 P Rh3 -","- C240 H256 Ag4 B4 N36 O48 P4 Rh12 -","4","1","","Youm, Kyoung-Tae; Huh, Seong; Park, Young Jun; Park, Sangwoo; Choi, Moon-Gun; Jun, Moo-Jin","Non-interpenetrating honeycomb-like 2D [6,3] network built by a novel trigonal metalloligand","Chemical Communications","2004","","21","2384","2385","10.1039/b409596k","","","0.71073","MoKα","","0.2364","0.0981","","","0.2281","0.2592","","","","","","0.778","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111437","9.115","0.008","15.649","0.008","6.737","0.003","90.84","0.05","109.37","0.05","88.87","0.06","906.4","1","298.2","","298.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F6 P S16 -","- C24 H24 F6 P S16 -","- C24 H24 F6 P S16 -","1","0.5","","Kimura, Shinya; Maejima, Tomoko; Suzuki, Hideaki; Chiba, Ryoma; Mori, Hatsumi; Kawamoto, Tadashi; Mori, Takehiko; Moriyama, Hiroshi; Nishio, Yutaka; Kajita, Koji","A new organic superconductor ?-(meso-DMBEDT-TTF)2PF6","Chemical Communications","2004","","21","2454","2455","10.1039/b409631b","","","0.7107","MoKα","","0.0732","0.073","","0.096","","0.096","","","0.672","","","0.67","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111438","11.5242","0.0005","10.9946","0.0004","21.098","0.0009","90","","90","","90","","2673.2","0.19","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolene","1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolene","","- C10 H20 Cl N2 Sb -","- C10 H20 Cl N2 Sb -","- C80 H160 Cl8 N16 Sb8 -","8","1","","Gudat, Dietrich; Gans-Eichler, Timo; Nieger, Martin","Synthesis and unprecedented oxidation of a cationic Sb-analogue of an Arduengo's carbene","Chemical Communications","2004","","21","2434","2435","10.1039/b409657f","","","0.71073","MoKα","","0.0627","0.0375","","","0.0826","0.0911","","","","","","0.933","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111439","10.1078","0.0001","19.52","0.0002","10.234","0.0001","90","","114.408","0.001","90","","1838.75","0.03","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolenium tetrachloroantmonate","1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolenium tetrachloroantmonate","","- C10 H20 Cl4 N2 Sb2 -","- C10 H20 Cl4 N2 Sb2 -","- C40 H80 Cl16 N8 Sb8 -","4","1","","Gudat, Dietrich; Gans-Eichler, Timo; Nieger, Martin","Synthesis and unprecedented oxidation of a cationic Sb-analogue of an Arduengo's carbene","Chemical Communications","2004","","21","2434","2435","10.1039/b409657f","","","0.71073","MoKα","","0.0192","0.018","","","0.0416","0.0419","","","","","","1.214","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111440","12.0617","0.0001","17.4255","0.0002","19.3913","0.0002","90","","102.081","0.001","90","","3985.42","0.07","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N'-Di-tert.butyl-diazadiene antimopny trichloride, antimony trichloride adduct","N,N'-Di-tert.butyl-diazadiene antimopny trichloride, antimony trichloride adduct","","- C10 H20 Cl6 N2 Sb2 -","- C10 H20 Cl6 N2 Sb2 -","- C80 H160 Cl48 N16 Sb16 -","8","1","","Gudat, Dietrich; Gans-Eichler, Timo; Nieger, Martin","Synthesis and unprecedented oxidation of a cationic Sb-analogue of an Arduengo's carbene","Chemical Communications","2004","","21","2434","2435","10.1039/b409657f","","","0.71073","MoKα","","0.0261","0.0182","","","0.0391","0.0406","","","","","","0.979","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111441","11.0192","0.0001","10.3184","0.0001","18.6936","0.0002","90","","104.138","0.001","90","","2061.09","0.04","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolenium trisfluoromethane sulfonate","1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolenium trisfluoromethane sulfonate","","- C12 H22 Cl2 F3 N2 O3 S Sb -","- C12 H22 Cl2 F3 N2 O3 S Sb -","- C48 H88 Cl8 F12 N8 O12 S4 Sb4 -","4","1","","Gudat, Dietrich; Gans-Eichler, Timo; Nieger, Martin","Synthesis and unprecedented oxidation of a cationic Sb-analogue of an Arduengo's carbene","Chemical Communications","2004","","21","2434","2435","10.1039/b409657f","","","0.71073","MoKα","","0.0259","0.0234","","","0.0595","0.0606","","","","","","1.045","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111442","13.317","0.003","16.389","0.003","23.527","0.005","93.51","0.03","100.28","0.03","109.95","0.03","4708","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 B10 O0.5 P2 Ru -","- C48 H50 B10 O0.5 P2 Ru -","- C192 H200 B40 O2 P8 Ru4 -","4","2","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","An unprecedented intramolecular coupling of o-carboranyl and cyclopentadienyl. Synthesis and structural characterization of a ruthenium complex containing a novel doubly-bridged cyclopentadienyl-carboranyl ligand","Chemical Communications","2004","","22","2588","2589","10.1039/b409772f","","","0.71073","MoKα","","0.0523","0.0475","","","0.1308","0.1358","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111443","11.4675","0.0007","11.8317","0.0007","20.3436","0.0013","83.521","0.001","79.263","0.002","74.801","0.001","2611.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H54 B10 Cl4 P2 Ru -","- C47.5 H54 B10 Cl4 P2 Ru -","- C95 H108 B20 Cl8 P4 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","An unprecedented intramolecular coupling of o-carboranyl and cyclopentadienyl. Synthesis and structural characterization of a ruthenium complex containing a novel doubly-bridged cyclopentadienyl-carboranyl ligand","Chemical Communications","2004","","22","2588","2589","10.1039/b409772f","","","0.71073","MoKα","","0.0934","0.067","","","0.1852","0.205","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111444","13.2413","0.0015","14.9424","0.0015","16.766","0.002","90","","101.462","0.008","90","","3251.1","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 N O Zr -","- C37 H45 N O Zr -","- C148 H180 N4 O4 Zr4 -","4","1","","Oakes, Daniel C. H.; Kimberley, Brian S.; Gibson, Vernon C.; Jones, David J.; White, Andrew J. P.; Williams, David J.","The surprisingly beneficial effect of soft donors on the performance of early transition metal olefin polymerisation catalysts","Chemical Communications","2004","","19","2174","2175","10.1039/b409870f","","","1.54178","CuKα","","0.053","0.0389","","","0.0899","0.0946","","","","","","1.028","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111445","28.1195","0.0008","12.6087","0.0007","18.9179","0.0013","90","","94.379","0.004","90","","6687.8","0.6","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H49 N3 O2 Ti -","- C33.5 H49 N3 O2 Ti -","- C268 H392 N24 O16 Ti8 -","8","1","","Oakes, Daniel C. H.; Kimberley, Brian S.; Gibson, Vernon C.; Jones, David J.; White, Andrew J. P.; Williams, David J.","The surprisingly beneficial effect of soft donors on the performance of early transition metal olefin polymerisation catalysts","Chemical Communications","2004","","19","2174","2175","10.1039/b409870f","","","1.54178","CuKα","","0.0658","0.0465","","0.1226","0.1082","","","","1.039","1.082","1.082","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111446","15.79","0.0007","15.79","0.0007","7.013","0.0003","90","","90","","120","","1514.25","0.11","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","1","0.166667","","Galet, Ana; Mu�oz, M. Carmen; Mart�nez, V�ctor; Real, Jos� Antonio","Supramolecular isomerism in spin crossover networks with aurophilic interactions","Chemical Communications","2004","","20","2268","2269","10.1039/b409974e","","","0.71073","MoKα","","0.1093","0.0727","","","0.2094","0.2513","","","","","","1.109","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111447","15.673","0.0009","15.673","0.0009","6.95","0.0007","90","","90","","120","","1478.49","0.19","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H28 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","- C48 Au6 Fe3 N24 O2 -","1","0.166667","","Galet, Ana; Mu�oz, M. Carmen; Mart�nez, V�ctor; Real, Jos� Antonio","Supramolecular isomerism in spin crossover networks with aurophilic interactions","Chemical Communications","2004","","20","2268","2269","10.1039/b409974e","","","0.71073","MoKα","","0.1841","0.0828","","","0.2033","0.2544","","","","","","1.008","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111448","15.889","0.0005","13.145","0.0004","24.682","0.0007","90","","127.432","0.001","90","","4093.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 Au4 Fe2 N16 -","- C32 H16 Au4 Fe2 N16 -","- C128 H64 Au16 Fe8 N64 -","4","1","","Galet, Ana; Mu�oz, M. Carmen; Mart�nez, V�ctor; Real, Jos� Antonio","Supramolecular isomerism in spin crossover networks with aurophilic interactions","Chemical Communications","2004","","20","2268","2269","10.1039/b409974e","","","0.71073","MoKα","","0.1382","0.0534","","","0.1052","0.1376","","","","","","0.884","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111449","15.719","0.0007","12.761","0.0005","24.238","0.0008","90","","127.152","0.002","90","","3875.1","0.3","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 Au4 Fe2 N16 -","- C32 Au4 Fe2 N16 -","- C128 Au16 Fe8 N64 -","4","1","","Galet, Ana; Mu�oz, M. Carmen; Mart�nez, V�ctor; Real, Jos� Antonio","Supramolecular isomerism in spin crossover networks with aurophilic interactions","Chemical Communications","2004","","20","2268","2269","10.1039/b409974e","","","0.71073","MoKα","","0.1251","0.0762","","","0.1896","0.22","","","","","","1.043","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111450","9.89","0.0008","10.582","0.0011","10.308","0.0009","90","","117.91","0.005","90","","953.31","0.16","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H8 Au2 Fe N8 -","- C16 Au2 Fe N8 -","- C32 Au4 Fe2 N16 -","2","0.5","","Galet, Ana; Muñoz, M. Carmen; Martínez, Víctor; Real, José; Antonio","Supramolecular isomerism in spin crossover networks with aurophilic interactions","Chemical Communications","2004","","20","2268","2269","10.1039/b409974e","","","0.71073","MoKα","","0.0355","0.0292","","","0.0662","0.0718","","","","","","0.921","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111451","12.4552","0.0003","17.2336","0.0006","7.7943","0.0002","90","","90","","90","","1673.03","0.08","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H21 I2 Mo N2 -","- C13 H21 I2 Mo N2 -","- C52 H84 I8 Mo4 N8 -","4","0.5","","Stoffelbach, Fran�ois; Poli, Rinaldo","Al(OPri)3-catalysed halogen exchange processes of relevance to atom transfer radical polymerization: the effect depends on the metal electronic structure","Chemical Communications","2004","","23","2666","2667","10.1039/b409992c","","","0.71073","MoKα","","0.0344","0.0247","","","0.0456","0.0478","","","","","","1.09","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111452","7.2951","0.0001","10.71","0.0002","15.7375","0.0003","82.0772","0.0012","86.8978","0.0012","90.0588","0.001","1216.01","0.04","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C20 H34 Dy N5 O10 -","- C20 H32 Dy N5 O10 -","- C40 H64 Dy2 N10 O20 -","2","1","","Polášek, Miloslav; Rudovský, Jakub; Hermann, Petr; Lukeš, Ivan; Elst, Luce Vander; Muller, Robert N.","Lanthanide(iii) complexes of a pyridine N-oxide analogue of DOTA: exclusive M isomer formation induced by a six-membered chelate ring","Chemical Communications","2004","","22","2602","2603","10.1039/b409996f","","","0.71073","MoKα","","0.0192","0.0181","","","0.046","0.0463","","","","","","1.088","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111453","7.9826","0.0007","15.903","0.001","27.941","0.002","77.877","0.004","89.139","0.004","83.136","0.005","3442.9","0.5","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H43 Cl6 F13 N6 O6 -","- C74 H43 Cl6 F13 N6 O6 -","- C148 H86 Cl12 F26 N12 O12 -","2","1","","Suzuki, Masaaki; Taniguchi, Ryuichiro; Osuka, Atsuhiro","Doubly N-fused meso-aryl substituted hexaphyrins(1.1.1.1.1.1)","Chemical Communications","2004","","23","2682","2683","10.1039/b410011e","","","0.7107","MoKα","","","0.1","","","","0.152","","","","","","1.478","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111454","8.995","0.002","14.081","0.003","17.398","0.003","73.422","0.008","86.768","0.008","85.54","0.009","2104.3","0.7","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H30 F46 N6 O14 -","- C86 H30 F46 N6 O14 -","- C86 H30 F46 N6 O14 -","1","0.5","","Suzuki, Masaaki; Taniguchi, Ryuichiro; Osuka, Atsuhiro","Doubly N-fused meso-aryl substituted hexaphyrins(1.1.1.1.1.1)","Chemical Communications","2004","","23","2682","2683","10.1039/b410011e","","","0.7107","MoKα","","","0.057","","","","0.079","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111455","34.436","0.008","34.436","0.008","17.721","0.005","90","","90","","90","","21014","9","123.1","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C96 H80 F22 N6 O10 -","- C96 H80 F22 N6 O10 -","- C768 H640 F176 N48 O80 -","8","0.5","","Suzuki, Masaaki; Taniguchi, Ryuichiro; Osuka, Atsuhiro","Doubly N-fused meso-aryl substituted hexaphyrins(1.1.1.1.1.1)","Chemical Communications","2004","","23","2682","2683","10.1039/b410011e","","","0.7107","MoKα","","","0.094","","","","0.138","","","","","","1.147","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7111456","13.984","0.0007","13.984","0.0007","36.504","0.003","90","","90","","120","","6182.1","0.7","133","2","133","2","","","","","","","","3","P 61","P 61","169","Hexa-O-benzoyl-myo-inositol","Hexa-O-benzoyl-myo-inositol","","- C48 H36 O12 -","- C48 H36 O12 -","- C288 H216 O72 -","6","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Capturing a metastable chiral polymorph of an achiral molecule?hexa-O-benzoyl-myo-inositol","Chemical Communications","2004","","22","2530","2531","10.1039/b410051d","","","0.71073","MoKα","","0.0977","0.0657","","","0.1132","0.1222","","","","","","1.056","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111457","11.931","0.003","14.463","0.004","14.722","0.004","64.109","0.004","71.642","0.005","67.851","0.006","2082","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Hexa-O-benzoyl-myo-inositol","Hexa-O-benzoyl-myo-inositol","","- C48 H36 O12 -","- C48 H36 O12 -","- C96 H72 O24 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Capturing a metastable chiral polymorph of an achiral molecule?hexa-O-benzoyl-myo-inositol","Chemical Communications","2004","","22","2530","2531","10.1039/b410051d","","","0.71073","MoKα","","0.1159","0.0541","","","0.1211","0.1474","","","","","","0.981","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111458","13.961","0.002","14.214","0.002","15.134","0.002","104.827","0.002","101.516","0.002","117.97","0.002","2377.6","0.6","133","2","133","2","","","","","","","","4","P -1","-P 1","2","Hexa-O-benzoyl-myo-inositol","Hexa-O-benzoyl-myo-inositol","","- C49.75 H40 Cl3.5 O12.25 -","- C49.75 H39.5 Cl3.5 O12.25 -","- C99.5 H79 Cl7 O24.5 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Capturing a metastable chiral polymorph of an achiral molecule?hexa-O-benzoyl-myo-inositol","Chemical Communications","2004","","22","2530","2531","10.1039/b410051d","","","0.71073","MoKα","","0.0828","0.0667","","","0.1866","0.2021","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111459","10.6274","0.0013","19.835","0.003","28.003","0.003","90","","90","","90","","5902.9","1.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H48 Li2 N6 -","- C26 H48 Li2 N6 -","- C208 H384 Li16 N48 -","8","1","","Mungur, Shaheed A.; Liddle, Stephen T.; Wilson, Claire; Sarsfield, Mark J.; Arnold, Polly L.","Bent metal carbene geometries in amido N-heterocyclic carbene complexes","Chemical Communications","2004","","23","2738","2739","10.1039/b410074c","","","0.71073","MoKα","","0.0953","0.0495","","","0.1212","0.1378","","","","","","0.909","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111460","11.4773","0.0008","17.505","0.0013","28.222","0.002","90","","95.341","0.002","90","","5645.5","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H48 Mg N6 -","- C26 H48 Mg N6 -","- C208 H384 Mg8 N48 -","8","1","","Mungur, Shaheed A.; Liddle, Stephen T.; Wilson, Claire; Sarsfield, Mark J.; Arnold, Polly L.","Bent metal carbene geometries in amido N-heterocyclic carbene complexes","Chemical Communications","2004","","23","2738","2739","10.1039/b410074c","","","0.71073","MoKα","","0.0703","0.0455","","","0.1123","0.1252","","","","","","1.027","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111461","11.473","0.005","11.7","0.005","13.665","0.005","66.755","0.005","80.951","0.005","78.183","0.005","1643.7","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H51.5 N6 O2 U -","- C29.5 H48 N6 O2 U -","- C59 H96 N12 O4 U2 -","2","1","","Mungur, Shaheed A.; Liddle, Stephen T.; Wilson, Claire; Sarsfield, Mark J.; Arnold, Polly L.","Bent metal carbene geometries in amido N-heterocyclic carbene complexes","Chemical Communications","2004","","23","2738","2739","10.1039/b410074c","","","0.71069","MoKα","","0.0646","0.0303","","","0.0684","0.0785","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111462","22.899","0.005","10.128","0.005","15.221","0.005","90","","97.608","0.005","90","","3499","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 N6 O2 U -","- C36 H52 N6 O2 U -","- C144 H208 N24 O8 U4 -","4","0.5","","Mungur, Shaheed A.; Liddle, Stephen T.; Wilson, Claire; Sarsfield, Mark J.; Arnold, Polly L.","Bent metal carbene geometries in amido N-heterocyclic carbene complexes","Chemical Communications","2004","","23","2738","2739","10.1039/b410074c","","","0.71069","MoKα","","0.0804","0.0363","","","0.0713","0.0819","","","","","","1.017","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111463","17.3157","0.0019","10.8344","0.0012","17.787","0.002","90","","90","","90","","3336.9","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H26 N P S -","- C17 H26 N P S -","- C136 H208 N8 P8 S8 -","8","1","","Wechsler, Dominik; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Structurally diverse Rh(i) and Mn(i) complexes derived from the new ambidentate indene ligand, (1-{iPr2P(S)}-2-{NMe2})C9H6","Chemical Communications","2004","","21","2446","2447","10.1039/b410328a","","","0.71073","MoKα","","0.0441","0.0338","","","0.0825","0.0887","","","","","","1.064","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111464","10.1379","0.0007","12.4282","0.0008","18.8478","0.0013","90","","93.7628","0.0011","90","","2369.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 N P Rh S -","- C25 H37 N P Rh S -","- C100 H148 N4 P4 Rh4 S4 -","4","1","","Wechsler, Dominik; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Structurally diverse Rh(i) and Mn(i) complexes derived from the new ambidentate indene ligand, (1-{iPr2P(S)}-2-{NMe2})C9H6","Chemical Communications","2004","","21","2446","2447","10.1039/b410328a","","","0.71073","MoKα","","0.0349","0.0281","","","0.0735","0.077","","","","","","1.02","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111465","9.688","0.002","15.57","0.004","13.898","0.003","90","","91.494","0.004","90","","2095.7","0.8","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Mn N O3 P S -","- C20 H25 Mn N O3 P S -","- C80 H100 Mn4 N4 O12 P4 S4 -","4","1","","Wechsler, Dominik; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Structurally diverse Rh(i) and Mn(i) complexes derived from the new ambidentate indene ligand, (1-{iPr2P(S)}-2-{NMe2})C9H6","Chemical Communications","2004","","21","2446","2447","10.1039/b410328a","","","0.71073","MoKα","","0.0295","0.0273","","","0.0745","0.0764","","","","","","1.043","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111466","20.4496","0.0013","6.5736","0.0004","13.0371","0.0007","90","","109.79","0.005","90","","1649.04","0.18","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Au2 N8 -","- C12 H16 Au2 N8 -","- C48 H64 Au8 N32 -","4","0.5","","Paraschiv, Carmen; Ferlay, Sylvie; Hosseini, Mir Wais; Bulach, V�ronique; Planeix, Jean-Marc","Molecular tectonics: design of luminescent H-bonded molecular networks","Chemical Communications","2004","","20","2270","2271","10.1039/b410459p","","","0.71073","MoKα","","0.0256","0.0251","","","0.0677","0.0683","","","","","","1.18","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111467","6.7502","0.0002","7.3697","0.0002","11.2137","0.0004","87.514","0.002","85.612","0.002","67.274","0.002","512.97","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 Au2 N8 -","- C18 H20 Au2 N8 -","- C18 H20 Au2 N8 -","1","0.5","","Paraschiv, Carmen; Ferlay, Sylvie; Hosseini, Mir Wais; Bulach, V�ronique; Planeix, Jean-Marc","Molecular tectonics: design of luminescent H-bonded molecular networks","Chemical Communications","2004","","20","2270","2271","10.1039/b410459p","","","0.71073","MoKα","","0.0256","0.0219","","","0.053","0.0543","","","","","","1.096","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111468","13.2363","0.0015","16.1803","0.0016","16.5673","0.0015","102.397","0.008","93.336","0.008","110.76","0.01","3205.2","0.6","100","","100","","","","","","","","?","6","P -1","-P 1","2","","","","- C59 H67 F12 N3 O18 P2 -","- C59 H67 F12 N3 O18 P2 -","- C118 H134 F24 N6 O36 P4 -","2","1","","Huang, Feihe; Zhou, Liang; Jones, Jason W.; Gibson, Harry W.; Ashraf-Khorassani, Mehdi","Formation of dimers of inclusion cryptand/paraquat complexes driven by dipole?dipole and face-to-face ?-stacking interactions","Chemical Communications","2004","","23","2670","2671","10.1039/b411234b","","","0.71073","MoKα","","0.1335","0.0946","","0.1243","0.1197","0.1197","","","","","","1.0343","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111469","26.2604","0.0012","26.2604","0.0012","27.4733","0.0013","90","0.0018","90","0.0017","90","0.0017","18945.8","1.5","100","2","100","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","","- C164 H128 Cl16 Mn12 O52 S4 -","- C164 H120 Cl16 Mn12 O52 S4 -","- C656 H480 Cl64 Mn48 O208 S16 -","4","0.125","","Pacchioni, Mirko; Cornia, Andrea; Fabretti, Antonio C.; Zobbi, Laura; Bonacchi, Daniele; Caneschi, Andrea; Chastanet, Guillaume; Gatteschi, Dante; Sessoli, Roberta","Site-specific ligation of anthracene-1,8-dicarboxylates to an Mn12 core: a route to the controlled functionalisation of single-molecule magnets","Chemical Communications","2004","","22","2604","2605","10.1039/b411320a","","","0.71073","MoKα","","0.134","0.1136","","","0.3157","0.3464","","","","","","1.172","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111470","40.6082","0.0017","13.5086","0.0006","29.0086","0.0012","90","","106.771","0.001","90","","15236.1","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C207 H109 Cl19 N4 O7 Sn -","- C207 H103 Cl19 N4 O7 Sn -","- C828 H412 Cl76 N16 O28 Sn4 -","4","0.5","","Kim, Hyun Jung; Park, Ki-Min; Ahn, Tae Kyu; Kim, Seong Keun; Kim, Kil Suk; Kim, Dongho; Kim, Hee-Joon","Novel fullerene?porphyrin?fullerene triad linked by metal axial coordination: Synthesis, X-ray crystal structure, and spectroscopic characterizations of trans-bis([60]fullerenoacetato)tin(iv) porphyrin","Chemical Communications","2004","","22","2594","2595","10.1039/b411482e","","","0.71073","MoKα","","0.1906","0.1052","","","0.2785","0.3423","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111471","17.3092","0.0002","30.9285","0.0003","12.1652","0.0001","90","","90.8163","0.0005","90","","6511.95","0.11","298","","","","","","","","","","Lahti research lab, UMass-Amherst","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N2 O3 -","- C21 H33 N2 O3 -","- C252 H396 N24 O36 -","12","3","","Taylor, Patrick; Lahti, Paul M.","Crystallography and magnetism of radicals with hindered hydroxyl groups: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl and 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl","Chemical Communications","2004","","23","2686","2688","10.1039/b411574k","","","0.71073","MoKα","","0.1279","0.0779","","","0.2039","0.2281","","","","","","1.358","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111472","11.8548","0.0001","17.1035","0.0002","30.8698","0.0004","90","","90","","90","","6259.12","0.12","173","2","173","2","","","","","","","Lahti research lab, UMass-Amherst","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N2 O2 -","- C21 H28.6667 N2 O2 -","- C252 H344 N24 O24 -","12","3","","Taylor, Patrick; Lahti, Paul M.","Crystallography and magnetism of radicals with hindered hydroxyl groups: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl and 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl","Chemical Communications","2004","","23","2686","2688","10.1039/b411574k","","","0.71073","MoKα","","0.1122","0.068","","","0.1579","0.1834","","","","","","1.032","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111473","15.511","0.005","12.878","0.004","16.84","0.005","90","","106.376","0.003","90","","3227.3","1.7","173.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H36 F12 N2 O5 P2 Ru -","- C24 H36 F12 N2 O5 P2 Ru -","- C96 H144 F48 N8 O20 P8 Ru4 -","4","1","","Hayashi, Hideki; Ogo, Seiji; Fukuzumi, Shunichi","Aqueous hydrogenation of carbon dioxide catalysed by water-soluble ruthenium aqua complexes under acidic conditions","Chemical Communications","2004","","23","2714","2715","10.1039/b411633j","","","0.7107","MoKα","","","0.05","","","","0.1475","","","","","","1.012","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7111474","18.082","0.002","8.9956","0.0011","32.899","0.004","90","","90","","90","","5351.3","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H26 Cu N4 S2 -","- C32 H26 Cu N4 S2 -","- C256 H208 Cu8 N32 S16 -","8","1","","Do, Loi; Halper, Sara R.; Cohen, Seth M.","Helical coordination polymers and cyclic dimers formed from heteroleptic thioether-dipyrrinato copper(ii) complexes","Chemical Communications","2004","","23","2662","2663","10.1039/b411991f","","","0.71073","MoKα","","0.0421","0.0371","","","0.0878","0.0902","","","","","","1.123","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111475","8.6561","0.0008","16.193","0.0015","33.492","0.003","90","","90","","90","","4694.5","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl2 Cu F6 N2 O2 S -","- C22 H16 Cl2 Cu F6 N2 O2 S -","- C176 H128 Cl16 Cu8 F48 N16 O16 S8 -","8","2","","Do, Loi; Halper, Sara R.; Cohen, Seth M.","Helical coordination polymers and cyclic dimers formed from heteroleptic thioether-dipyrrinato copper(ii) complexes","Chemical Communications","2004","","23","2662","2663","10.1039/b411991f","","","0.71073","MoKα","","0.0518","0.0476","","","0.115","0.1178","","","","","","1.112","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111476","12.8881","0.0011","16.6327","0.0014","19.7978","0.0017","90","","96.523","0.001","90","","4216.5","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Cu F6 N2 O2 S -","- C21 H14 Cu F6 N2 O2 S -","- C168 H112 Cu8 F48 N16 O16 S8 -","8","2","","Do, Loi; Halper, Sara R.; Cohen, Seth M.","Helical coordination polymers and cyclic dimers formed from heteroleptic thioether-dipyrrinato copper(ii) complexes","Chemical Communications","2004","","23","2662","2663","10.1039/b411991f","","","0.71073","MoKα","","0.0478","0.0368","","","0.0907","0.096","","","","","","1.025","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111477","10.8528","0.0008","18.3953","0.0014","10.9941","0.0008","90","","103.42","","90","","2134.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Ge N2 Se3 -","- C12 H32 Ge N2 Se3 -","- C48 H128 Ge4 N8 Se12 -","4","1","","Nath, Manashi; Choudhury, Amitava; Rao, C. N. R.","Chemical routes to GeS2 and GeSe2 nanowires","Chemical Communications","2004","","23","2698","2699","10.1039/b412056f","","","0.71073","MoKα","","0.1124","0.0709","","0.1237","0.1128","","","","1.169","1.283","1.283","","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111478","9.6256","0.0008","10.3665","0.0008","19.7482","0.0016","92.2375","0.0016","98.4811","0.0015","113.47","0.0015","1777.3","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","[Mes*NP(DMAP)2][OTf]","","","- C33 H49 F3 N5 O3 P S -","- C33 H49 F3 N5 O3 P S -","- C66 H98 F6 N10 O6 P2 S2 -","2","1","","Burford, Neil; Spinney, Heather A.; Ferguson, Michael J.; McDonald, Robert","Donor-rich and acceptor-rich pyridine-phosphadiazonium adducts: Diversifying the Lewis acceptor chemistry of phosphorus(iii)","Chemical Communications","2004","","23","2696","2697","10.1039/b412267d","","","0.71073","MoKα","","0.0918","0.058","","","0.1381","0.155","","","","","","1.021","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111479","10.1616","0.0004","16.9451","0.0006","18.9324","0.0007","110.811","0.0007","91.4223","0.0007","90.1012","0.0007","3046.1","0.2","193","2","","","","","","","","","","8","P -1","-P 1","2","","","","- C49.5 H69 Cl3 F6 N4 O6 P2 S2 -","- C49 H68 Cl2 F6 N4 O6 P2 S2 -","- C98 H136 Cl4 F12 N8 O12 P4 S4 -","2","1","","Burford, Neil; Spinney, Heather A.; Ferguson, Michael J.; McDonald, Robert","Donor-rich and acceptor-rich pyridine-phosphadiazonium adducts: Diversifying the Lewis acceptor chemistry of phosphorus(iii)","Chemical Communications","2004","","23","2696","2697","10.1039/b412267d","","","0.71073","MoKα","","0.0544","0.0489","","","0.1364","0.1406","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111480","12.4739","0.0002","8.0449","0.0002","14.3256","0.0003","90","","102.951","0.0011","90","","1401.02","0.05","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H20 N6 O14 -","- C27 H20 N6 O14 -","- C54 H40 N12 O28 -","2","1","","Schwaebisch, Dirk; Tchabanenko, Kirill; Adlington, Robert M.; Cowley, Andrew M.; Baldwin, Jack E.","Biomimetic synthesis of the pyrrolobenzoxazine core of paeciloxazine","Chemical Communications","2004","","22","2552","2553","10.1039/b412300j","","","0.71073","MoKα","","0.0415","0.0326","","0.0419","0.035","0.035","","","","","","1.1631","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113368","9.996","0.005","19.104","0.005","10.29","0.005","90","0.005","113.132","0.005","90","0.005","1807","1.3","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H61 Li O3 P4 -","- C29 H61 Li O3 P4 -","- C58 H122 Li2 O6 P8 -","2","1","","Wolf, Robert; Hey-Hawkins, Evamarie","[Li(thf)3cyclo-(P4tBu4CH)]‒synthesis, molecular structure and dynamic behaviour.","Chemical communications (Cambridge, England)","2004","","22","2626","2627","10.1039/b410617b","","","0.71073","Mokα","","0.0741","0.0628","","","0.1313","0.1353","","","","","","1.17","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113369","10.287","0.002","10.734","0.002","10.614","0.002","90","","107.24","0.01","90","","1119.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 N O11 -","- C18 H27 N O11 -","- C36 H54 N2 O22 -","2","1","","Sommermann, Thomas; Kim, Boo Geun; Peters, Karl; Peters, Eva-Maria; Linker, Torsten","Short and stereoselective synthesis of C-glycosylated glycine derivatives from glycals by radical addition and reduction.","Chemical communications (Cambridge, England)","2004","","22","2624","2625","10.1039/b410120k","","","0.71073","MoKα","","0.0649","0.06","","","0.1381","0.1419","","","","","","1.052","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113370","9.6369","0.001","10.6748","0.001","13.3547","0.001","97.326","0.01","90.017","0.01","91.081","0.01","1362.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Mo N O7 P -","- C31 H26 Mo N O7 P -","- C62 H52 Mo2 N2 O14 P2 -","2","1","","Gharah, Narottam; Chakraborty, Santu; Mukherjee, Alok K.; Bhattacharyya, Ramgopal","Highly efficient epoxidation method of olefins with hydrogen peroxide as terminal oxidant, bicarbonate as a co-catalyst and oxodiperoxo molybdenum(VI) complex as catalyst.","Chemical communications (Cambridge, England)","2004","","22","2630","2632","10.1039/b408946d","","","0.71073","MoKα","","0.0328","0.0312","","","0.0794","0.0805","","","","","","1.04","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113371","11.1946","0.0002","12.9307","0.0003","16.9269","0.0004","90","","90","","90","","2450.24","0.09","150","2","150","2","","","","","","","","6","P c n b","-P 2b 2ac","60","sa0401","","","- C24 H30 Cl Fe2 Ga O4 -","- C24 H30 Cl Fe2 Ga O4 -","- C96 H120 Cl4 Fe8 Ga4 O16 -","4","0.5","","Bunn, Natalie R.; Aldridge, Simon; Coombs, Deborah L.; Rossin, Andrea; Willock, David J.; Jones, Cameron; Ooi, Li-ling","Fe-Ga multiple bonding? Synthesis, spectroscopic and structural characterization of a transition metal complex containing a cationic two-coordinate gallium centre.","Chemical communications (Cambridge, England)","2004","","15","1732","1733","10.1039/b405943c","","","0.71073","MoKα","","0.0678","0.0486","","","0.0981","0.105","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113372","14.442","0.003","15.004","0.003","15.541","0.003","66.25","0.03","71.75","0.03","75.17","0.03","2894.5","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H42 B F24 Fe2 Ga O4 -","- C56 H42 B F24 Fe2 Ga O4 -","- C112 H84 B2 F48 Fe4 Ga2 O8 -","2","1","","Bunn, Natalie R.; Aldridge, Simon; Coombs, Deborah L.; Rossin, Andrea; Willock, David J.; Jones, Cameron; Ooi, Li-ling","Fe-Ga multiple bonding? Synthesis, spectroscopic and structural characterization of a transition metal complex containing a cationic two-coordinate gallium centre.","Chemical communications (Cambridge, England)","2004","","15","1732","1733","10.1039/b405943c","","","0.71073","MoKα","","0.0599","0.0443","","","0.1038","0.1119","","","","","","1.019","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113373","39.587","0.007","12.43","0.002","20.522","0.004","90","","117.306","0.007","90","","8973","3","200","2","200","2","","","","","","","synthesis","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 Cl F9 N3 P2 Ru Sb -","- C48 H32 Cl F9 N3 P2 Ru Sb -","- C384 H256 Cl8 F72 N24 P16 Ru8 Sb8 -","8","1","","Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José","A new class of tethered-arene ruthenium(II) complexes with pendant P and C donor atoms: synthesis of eta6:eta1:eta1 phosphonio-azabutadienyl ruthenabicycles via allenylidene intermediates.","Chemical communications (Cambridge, England)","2004","","16","1820","1821","10.1039/b404971c","","","1.54184","CuKα","","0.1175","0.0603","","","0.1392","0.1652","","","","","","0.968","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113374","16.4727","0.0016","17.1842","0.0017","20.571","0.002","90","","112.879","0.002","90","","5364.9","0.9","233","2","233","2","","","","","","","synthesis","8","P 1 21/a 1","-P 2yab","14","","","","- C54 H44 Cl F10 N2 P2 Ru Sb -","- C54 H44 Cl F10 N2 P2 Ru Sb -","- C216 H176 Cl4 F40 N8 P8 Ru4 Sb4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José","A new class of tethered-arene ruthenium(II) complexes with pendant P and C donor atoms: synthesis of eta6:eta1:eta1 phosphonio-azabutadienyl ruthenabicycles via allenylidene intermediates.","Chemical communications (Cambridge, England)","2004","","16","1820","1821","10.1039/b404971c","","","0.71073","MoKα","","0.1988","0.0728","","","0.1733","0.2328","","","","","","1.014","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113375","8.525","0.0008","18.9082","0.0017","12.7881","0.0013","90","","97.997","0.008","90","","2041.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl2 Cu N4 -","- C18 H34 Cl2 Cu N4 -","- C72 H136 Cl8 Cu4 N16 -","4","1","","May, Caleb M.; Archibald, Stephen J.; Bridgeman, Adam J.; Empson, Christopher J.; Hubin, Timothy J.","Rigidity extremes in coordination chemistry: a fine energetic balance in the isolation of a trapped ligand inversion intermediate.","Chemical communications (Cambridge, England)","2004","","16","1880","1881","10.1039/b405358c","","","0.71073","MoKα","","0.064","0.0354","","","0.0792","0.0856","","","","","","0.853","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113376","27.328","0.006","32.125","0.006","18.424","0.004","90","","90","","90","","16175","6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H32 Cl4 Fe5 N O33 -","- C12 Cl4 Fe5 N O33 -","- C192 Cl64 Fe80 N16 O528 -","16","1","","Armentano, Donatella; De Munno, Giovanni; Mastropietro, Teresa F.; Julve, Miguel; Lloret, Francesc","A novel supramolecular assembly in an iron(iii) compound exhibiting magnetic ordering at 70 KElectronic supplementary information (ESI) available: Thermal dependence of ?MT under an applied field of 50 Oe and of the in-phase and out-phase components of the ac susceptibility of 2 at 100 Hz in zero applied static field and under an oscillating field of 1 Oe (Fig. S1 and S2); hysteresis loop at 2.0 K between �5 T (Fig. S3). See http://www.rsc.org/suppdata/cc/b4/b402055c/","Chemical Communications","2004","","10","1160","","10.1039/b402055c","","","0.71073","MoKα","","0.073","0.0663","","","0.2052","0.212","","","","","","1.083","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113377","10.2812","0.0004","12.5651","0.0005","13.8054","0.0008","90.791","0.001","89.982","0.001","107.375","0.004","1701.89","0.14","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Cl F4 O4 -","- C40 H41 Cl F4 O4 -","- C80 H82 Cl2 F8 O8 -","2","1","","Hirano, Shinya; Toyota, Shinji; Toda, Fumio","Isolation of equatorial conformers of chloro- and bromocyclohexane in a pure state as inclusion complexes with a host compound.","Chemical communications (Cambridge, England)","2004","","20","2354","2355","10.1039/b409905m","","","0.7107","MoKα","","","0.0597","","","","0.2056","","","","","","0.991","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7113378","10.2862","0.0006","12.7217","0.0008","13.8094","0.0008","91.793","0.003","89.989","0.004","106.967","0.002","1727.49","0.18","113.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Br F4 O4 -","- C40 H41 Br F4 O4 -","- C80 H82 Br2 F8 O8 -","2","1","","Hirano, Shinya; Toyota, Shinji; Toda, Fumio","Isolation of equatorial conformers of chloro- and bromocyclohexane in a pure state as inclusion complexes with a host compound.","Chemical communications (Cambridge, England)","2004","","20","2354","2355","10.1039/b409905m","","","0.7107","MoKα","","","0.0523","","","","0.1635","","","","","","1.367","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7113379","10.7489","0.0004","23.9432","0.001","11.5529","0.0005","90","","102.026","0.003","90","","2908","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(mu- (1,2:2 - eta - 1,1-ditertbutyldiphosphene) bis(dicyclopentadienatochlorozirconium))","[μ- (1,2:2 - η - 1,1-ditertbutyldiphosphene) bis(dicyclopentadienatochlorozirconium)]","","- C28 H38 Cl2 P2 Zr2 -","- C28 H38 Cl2 P2 Zr2 -","- C112 H152 Cl8 P8 Zr8 -","4","1","","Pikies, Jerzy; Baum, Elke; Matern, Eberhard; Chojnacki, Jaroslaw; Grubba, Rafal; Robaszkiewicz, Andrzej","A new synthetic entry to phosphinophosphinidene complexes. Synthesis and structural characterisation of the first side-on bonded and the first terminally bonded phosphinophosphinidene zirconium complexes [mu-(1,2:2-eta-tBu2P=P)[Zr(Cl)Cp2]2] and [[Zr(PPhMe2)Cp2](eta1)-P-PtBu2)].","Chemical communications (Cambridge, England)","2004","","21","2478","2479","10.1039/b409673h","","","0.71073","MoKα","","0.0228","0.0206","","","0.053","0.0539","","","","","","1.05","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113380","9.312","0.002","11.574","0.002","25.22","0.005","78.91","0.03","87.11","0.03","85.26","0.03","2656.6","0.9","150","2","150","0.2","","","","","","","","4","P -1","-P 1","2","Dicyclopentapdienylo(phenyldimethylphosphane)(eta$1!-di-tert- butylphosphanylphosphinidene)zirconium","Dicyclopentapdienylo(phenyldimethylphosphane)(η^1^- di-tert-butylphosphanylphosphinidene)zirconium","","- C26 H39 P3 Zr -","- C26 H39 P3 Zr -","- C104 H156 P12 Zr4 -","4","2","","Pikies, Jerzy; Baum, Elke; Matern, Eberhard; Chojnacki, Jaroslaw; Grubba, Rafal; Robaszkiewicz, Andrzej","A new synthetic entry to phosphinophosphinidene complexes. Synthesis and structural characterisation of the first side-on bonded and the first terminally bonded phosphinophosphinidene zirconium complexes [mu-(1,2:2-eta-tBu2P=P)[Zr(Cl)Cp2]2] and [[Zr(PPhMe2)Cp2](eta1)-P-PtBu2)].","Chemical communications (Cambridge, England)","2004","","21","2478","2479","10.1039/b409673h","","","0.71073","MoKα","","0.1659","0.1011","","","0.2533","0.3115","","","","","","1.141","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113381","6.8834","0.0015","8.189","0.0018","23.757","0.005","83.215","0.004","86.122","0.004","67.37","0.004","1227","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Co2 N O13 -","- C22 H15 Co2 N O13 -","- C44 H30 Co4 N2 O26 -","2","1","","Christie, Steven D. R.; Davoile, Ryan J.; Elsegood, Mark R. J.; Fryatt, Ross; Jones, Raymond C. F.; Pritchard, Gareth J.","Novel formation and use of a Nicholas carbocation in the synthesis of highly substituted tetrahydrofurans.","Chemical communications (Cambridge, England)","2004","","21","2474","2475","10.1039/b411367e","","","0.71073","MoKα","","0.1132","0.0769","","","0.1549","0.1681","","","","","","1.101","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113382","10.2664","0.0006","10.9478","0.0007","15.3294","0.0008","97.037","0.003","106.436","0.004","96.617","0.002","1619.62","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H61 Mg N4 Na -","- C28 H61 Mg N4 Na -","- C56 H122 Mg2 N8 Na2 -","2","1","","Hevia, Eva; Gallagher, Daniel J.; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Talmard, Christine","Isolation and characterisation of the mixed-metal alkyl amide [(TMEDA)Na(mu-Bu)(mu-TMP)Mg(TMP)], an unexpected chelate-trapped intermediate in the formation of inverse crowns.","Chemical communications (Cambridge, England)","2004","","21","2422","2423","10.1039/b410293b","","","0.71073","MoKα","","0.0719","0.0601","","","0.1622","0.1734","","","","","","1.102","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113383","22.7801","0.0004","14.7272","0.0003","9.7007","0.0002","90","","90","","90","","3254.46","0.11","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H57 Mg N4 Na -","- C30 H57 Mg N4 Na -","- C120 H228 Mg4 N16 Na4 -","4","0.5","","Hevia, Eva; Gallagher, Daniel J.; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Talmard, Christine","Isolation and characterisation of the mixed-metal alkyl amide [(TMEDA)Na(mu-Bu)(mu-TMP)Mg(TMP)], an unexpected chelate-trapped intermediate in the formation of inverse crowns.","Chemical communications (Cambridge, England)","2004","","21","2422","2423","10.1039/b410293b","","","0.71073","MoKα","","0.0778","0.0467","","","0.1102","0.1244","","","","","","1.028","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113384","14.3934","0.0002","9.6078","0.0002","17.3407","0.0003","90","","100.495","0.001","90","","2357.91","0.07","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","(Ph2P(S)(C(Ncy)(NHcy)))","","","- C25 H33 N2 P S -","- C25 H33 N2 P S -","- C100 H132 N8 P4 S4 -","4","1","","Grundy, Joanna; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Self-organisation in P-substituted guanidines leading to solution-state isomerisation.","Chemical communications (Cambridge, England)","2004","","21","2410","2411","10.1039/b410041g","","x-ray","0.71073","MoKα","","0.0435","0.0352","","","0.0823","0.0865","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113385","8.8687","0.0001","9.6892","0.0001","14.991","0.0002","82.172","0.001","82.934","0.001","69.345","0.001","1190.24","0.03","223","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(SePPh2C(NHC6H11)(NC6H11))","","","- C25 H33 N2 P Se -","- C25 H33 N2 P Se -","- C50 H66 N4 P2 Se2 -","2","1","","Grundy, Joanna; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Self-organisation in P-substituted guanidines leading to solution-state isomerisation.","Chemical communications (Cambridge, England)","2004","","21","2410","2411","10.1039/b410041g","","x-ray","0.71073","MoKα","","0.0298","0.0253","","","0.0564","0.0585","","","","","","1.04","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113386","9.242","0.0004","12.983","0.0005","18.332","0.0007","87.486","0.001","86.543","0.002","86.672","0.002","2190.13","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Compound 1","","","- C31 H79 B11 P2 Pt -","- C31 H79 B11 P2 Pt -","- C62 H158 B22 P4 Pt2 -","2","1","","Ingleson, Michael J.; Mahon, Mary F.; Weller, Andrew S.","[PtMe(iPr3P)2]+: a Pt(II) complex with an agostic interaction that undergoes C-H activation.","Chemical communications (Cambridge, England)","2004","","21","2398","2399","10.1039/b410846a","","","0.71073","MoKα","","0.0537","0.0374","","","0.0832","0.0876","","","","","","1.039","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113387","9.919","0.002","16.766","0.004","25.021","0.005","90","","90","","90","","4161","1.5","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C184 H176 N16 O48 -","8","1","","Wang, Yuanhua; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao","Novel C-C bond formation through addition of ammonium ylides to arylaldehydes: a facile approach to beta-aryl-beta-hydroxy alpha-amino acid frameworks.","Chemical communications (Cambridge, England)","2004","","21","2486","2487","10.1039/b407449a","","","0.71073","MoKα","","0.1298","0.047","","","0.0853","0.0998","","","","","","0.803","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113388","13.0338","0.0017","19.045","0.003","13.3803","0.0017","90","","113.93","0.002","90","","3035.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tryg's Zn Carbene with Benzyl Alchohol","","","- C70 H76 N4 O4 Zn2 -","- C70 H76 N4 O4 Zn2 -","- C140 H152 N8 O8 Zn4 -","2","0.5","","Jensen, Tryg R.; Breyfogle, Laurie E.; Hillmyer, Marc A.; Tolman, William B.","Stereoelective polymerization of D,L-lactide using N-heterocyclic carbene based compounds.","Chemical communications (Cambridge, England)","2004","","21","2504","2505","10.1039/b405362a","","","0.71073","MoKα","","0.0416","0.0337","","","0.0804","0.084","","","","","","1.034","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113389","26.679","0.005","15.22","0.002","21.545","0.004","90","","114.29","0.02","90","","7974","3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H124 N10 O4 P2 Sm2 -","- C70 H108 N10 O4 P2 Sm2 -","- C280 H432 N40 O16 P8 Sm8 -","4","0.5","","Deng, Mingyu; Yao, Yingmin; Zhang, Yong; Shen, Qi","A first oxalamidino complex of samarium via reduction-coupling of carbodiimine: synthesis and molecular structure of [eta4-C2(NR)4][(MeC5H4)2Sm(HMPA)]2.2THF (R = Pr i, Cy).","Chemical communications (Cambridge, England)","2004","","23","2742","2743","10.1039/b410599k","","","0.71073","MoKα","","0.0754","0.0637","","","0.1522","0.1573","","","","","","1.224","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113390","20.324","0.005","20.324","0.005","47.623","0.005","90","0.005","90","0.005","120","0.005","17036","6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Tetrakis(pyridine)copper(ii) 1,3,5-tris(4-sulfophenyl)benzene pyridine solvate","","","- C113 H95 Cu3 N13 O18 S6 -","- C114 H96 Cu3 N12 O18 S6 -","- C684 H576 Cu18 N72 O108 S36 -","6","0.166667","","Mahmoudkhani, Amir H.; Côté, Adrien P; Shimizu, George K. H.","A neutral self-assembled coordination cage organized for inclusion of aromatic guests.","Chemical communications (Cambridge, England)","2004","","23","2678","2679","10.1039/b412325e","","","0.71069","MoKα","","0.1239","0.1096","","","0.3136","0.3288","","","","","","1.17","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113391","10.3645","0.0005","13.117","0.0006","17.6983","0.0009","104.817","0.001","100.72","0.001","106.751","0.001","2137.94","0.18","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H57 F3 Mo N2 O13 S -","- C36 H57 F3 Mo N2 O13 S -","- C72 H114 F6 Mo2 N4 O26 S2 -","2","1","","Rodrigues, Cristina Wippert; Limberg, Christian; Pritzkow, Hans","A (H2O)4/crown ether network spanned between organometallic complex metal fragments.","Chemical communications (Cambridge, England)","2004","","23","2734","2735","10.1039/b407475k","","","0.71073","MoKα","","0.0471","0.0384","","","0.0939","0.1018","","","","","","1.078","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113392","10.9503","0.0004","17.684","0.001","23.9264","0.0012","104.52","0.002","96.031","0.003","91.682","0.003","4453","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C97 H60 Cl5 F18 N5 O15 S2 -","- C96.7 H55.8 Cl5 F17.4 N5 O14.9 S2 -","- C193.4 H111.6 Cl10 F34.8 N10 O29.8 S4 -","2","1","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Gan, Yu","Principles of sequence-recognition in aromatic polyimides.","Chemical communications (Cambridge, England)","2004","","23","2650","2652","10.1039/b412801j","","","0.71073","MoKα","","0.171","0.1393","","","0.3912","0.4179","","","","","","1.695","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113393","13.444","0.002","18.759","0.003","18.827","0.003","118.064","0.006","92.078","0.006","91.734","0.006","4181","1.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H104 Au N O P6 Pt2 -","- C90 H102 Au N O P6 Pt2 -","- C180 H204 Au2 N2 O2 P12 Pt4 -","2","1","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M; Jones, Peter G.","Synthesis and X-ray crystal structure of an anionic heteronuclear metallamacrocyclic triangle.","Chemical communications (Cambridge, England)","2004","","23","2658","2659","10.1039/b409921d","","","0.71073","MoKα","","0.0868","0.0452","","","0.0911","0.1094","","","","","","0.956","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113394","10.884","0.011","30.69","0.06","13.706","0.004","90","","104.55","0.03","90","","4431","10","293","2","293","2","","","","","","","synthesis","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 F6 Fe N O P2 Ru Sb -","- C47 H42 F6 Fe N O P2 Ru Sb -","- C188 H168 F24 Fe4 N4 O4 P8 Ru4 Sb4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Garrido, Sergio E; Gimeno, José","[Ru(eta3-2-C3H4Me)(CO)(dppf)][SbF6]: a mononuclear 16e - ruthenium(II) catalyst for propargylic substitution and isomerization of HC[triple bond]CCPh2(OH).","Chemical communications (Cambridge, England)","2004","","23","2716","2717","10.1039/b410812d","","","0.71073","MoKα","","0.1775","0.0617","","","0.1326","0.1712","","","","","","1.029","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113395","10.898","0.006","11.791","0.008","12.96","0.008","96.74","0.02","111.63","0.02","95.51","0.02","1519.8","1.6","213","","213","","","","","","","","","8","P -1","-P 1","2","compound 3a BF4","","","- C32 H34 B F4 Ir N3 P Pd -","- C32 H34 B F4 Ir N3 P Pd -","- C64 H68 B2 F8 Ir2 N6 P2 Pd2 -","2","1","","Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Selective synthesis of isomeric heterodinuclear complexes with switched metal arrangements via proton-induced reversible metal migration.","Chemical communications (Cambridge, England)","2004","","23","2760","2761","10.1039/b409514f","","","0.71075","MoKα","","0.0862","0.0732","","","0.2532","0.2569","","","","","","1.635","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113396","13.877","0.009","14.786","0.013","16.189","0.014","83.74","0.04","79.66","0.03","88.57","0.03","3248","5","213","","213","","","","","","","","","9","P -1","-P 1","2","compound 4a BF4","","","- C32.5 H35 B Cl F4 Ir N3 P Pd -","- C32.5 H35 B Cl F4 Ir N3 P Pd -","- C130 H140 B4 Cl4 F16 Ir4 N12 P4 Pd4 -","4","2","","Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Selective synthesis of isomeric heterodinuclear complexes with switched metal arrangements via proton-induced reversible metal migration.","Chemical communications (Cambridge, England)","2004","","23","2760","2761","10.1039/b409514f","","","0.71075","MoKα","","0.2412","0.0633","","","0.1307","0.2056","","","","","","0.662","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113397","9.341","0.005","9.958","0.005","13.571","0.009","92.45","0.05","102.39","0.04","98.18","0.02","1216.9","1.2","213","","213","","","","","","","","","5","P -1","-P 1","2","compound 5","","","- C29 H29 Ir N3 P -","- C29 H29 Ir N3 P -","- C58 H58 Ir2 N6 P2 -","2","1","","Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Selective synthesis of isomeric heterodinuclear complexes with switched metal arrangements via proton-induced reversible metal migration.","Chemical communications (Cambridge, England)","2004","","23","2760","2761","10.1039/b409514f","","","0.71075","MoKα","","0.0799","0.0584","","","0.1363","0.1468","","","","","","0.99","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113398","11.13","0.018","14.56","0.02","18.75","0.02","78.51","0.06","85.37","0.06","71.38","0.06","2821","7","213","","213","","","","","","","","","6","P -1","-P 1","2","compound 8","","","- C60 H62 Cl4 Ir2 N6 P2 -","- C60 H62 Cl4 Ir2 N6 P2 -","- C120 H124 Cl8 Ir4 N12 P4 -","2","1","","Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Selective synthesis of isomeric heterodinuclear complexes with switched metal arrangements via proton-induced reversible metal migration.","Chemical communications (Cambridge, England)","2004","","23","2760","2761","10.1039/b409514f","","","0.71075","MoKα","","0.2282","0.0727","","","0.1586","0.2076","","","","","","0.694","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7113399","7.806","0.002","9.205","0.003","28.156","0.008","90","","94.228","0.006","90","","2017.6","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3","Chloro(cyclohexyl)bis[N-(dimethylamino)trifluoroacetimidato-N,O]silicon(IV)","","- C14 H23 Cl F6 N4 O2 Si -","- C14 H23 Cl F6 N4 O2 Si -","- C56 H92 Cl4 F24 N16 O8 Si4 -","4","1","","Gostevskii, Boris; Adear, Keren; Sivaramakrishna, Akella; Silbert, Gilad; Stalke, Dietmar; Kocher, Nikolaus; Kalikhman, Inna; Kost, Daniel","Neutral and ionic dissociation patterns in hexacoordinate silicon chelates: a model nucleophilic substitution at pentacoordinate silicon.","Chemical communications (Cambridge, England)","2004","","14","1644","1645","10.1039/b404157g","","","0.71073","MoKα","","0.0317","0.03","","","0.0766","0.0776","","","","","","1.054","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113400","13.717","0.001","12.833","0.001","15.272","0.002","90","","114.15","0.01","90","","2453","0.5","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23.5 Au F6 N2.5 P -","- C22 H15 Au F6 N2.5 P -","- C88 H60 Au4 F24 N10 P4 -","4","1","","Cinellu, Maria A.; Minghetti, Giovanni; Stoccoro, Sergio; Zucca, Antonio; Manassero, Mario","Reaction of gold(III) oxo complexes with alkenes. Synthesis of unprecedented gold alkene complexes, [Au(N,N)(alkene)][PF6]. Crystal structure of [Au(bipy(ip))(eta2-CH2=CHPh)][PF6] (bipy(ip) = 6-isopropyl-2,2'-bipyridine).","Chemical communications (Cambridge, England)","2004","","14","1618","1619","10.1039/b404890c","","","0.7107","Mo-Kα","","0.054","0.054","","","0.09","","","","1.391","1.391","1.391","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113401","33.739","0.016","9.704","0.003","8.672","0.002","90","","95.92","0.04","90","","2824.1","1.7","273","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H56 Ag N5 O7 -","- C72 H56 Ag N5 O7 -","- C144 H112 Ag2 N10 O14 -","2","0.5","","Wu, Chuan-De; Ngo, Helen L.; Lin, Wenbin","Luminescent homochiral silver(I) lamellar coordination networks built from helical chains.","Chemical communications (Cambridge, England)","2004","","14","1588","1589","10.1039/b403609c","","","0.71073","MoKα","","","0.0262","","","0.0596","0.0608","","","","","","1.043","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113402","34.6314","0.0009","10.2182","0.0002","8.3801","0.0002","90","","91.78","0.002","90","","2964.04","0.12","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H56 Ag Cl N4 O8 -","- C72 H56 Ag Cl N4 O8 -","- C144 H112 Ag2 Cl2 N8 O16 -","2","0.5","","Wu, Chuan-De; Ngo, Helen L.; Lin, Wenbin","Luminescent homochiral silver(I) lamellar coordination networks built from helical chains.","Chemical communications (Cambridge, England)","2004","","14","1588","1589","10.1039/b403609c","","","0.71073","MoKα","","","0.0466","","","0.1068","0.1117","","","","","","1.031","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113403","8.931","0.002","9.599","0.001","28.08","0.009","90","","90","","90","","2407.3","1","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Martinelli, Marisa; Molins, Elies; Bosch, Joan","Enantioselective formal synthesis of uleine alkaloids from phenylglycinol-derived bicyclic lactams.","Chemical communications (Cambridge, England)","2004","","14","1602","1603","10.1039/b400987h","","x-ray","0.71073","MoKα","","0.0981","0.0458","","","0.1321","0.1451","","","","","","0.968","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113404","48.415","0.001","48.415","0.001","10.6278","0.0002","90","","90","","120","","21574.2","0.7","120","1","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H47 Gd N8 O9 -","- C45 H44 Gd N8 O9 -","- C810 H792 Gd18 N144 O162 -","18","1","","Sénéchal, Katell; Toupet, Loïc; Ledoux, Isabelle; Zyss, Joseph; Le Bozec, Hubert; Maury, Olivier","First lanthanide dipolar complexes for second-order nonlinear optics.","Chemical communications (Cambridge, England)","2004","","19","2180","2181","10.1039/b407073a","","","0.71069","MoKα","","0.183","0.0944","","","0.2424","0.3029","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7113405","9.913","0.003","14.436","0.004","19.885","0.004","90","","90","","90","","2845.6","1.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","3·CH3NO2","","","- C29 H32 I N O2 P Rh -","- C29 H32 I N O2 P Rh -","- C116 H128 I4 N4 O8 P4 Rh4 -","4","1","","Doppiu, Angelino; Englert, Ulli; Salzer, Albrecht","Isolation and structural characterization of an optically active intermediate in the oxidative addition of methyl iodide on a rhodium(I) centre.","Chemical communications (Cambridge, England)","2004","","19","2166","2167","10.1039/b409134e","","","0.71073","MoKα","","0.0427","0.036","","","0.077","0.0799","","","","","","1.051","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113406","13.9644","0.0007","14.402","0.0008","15.3266","0.0008","64.046","0.001","68.612","0.001","72.159","0.001","2540.7","0.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C107 H102 Cl2 N4 Na4 O13 P8 -","- C107.003 H102 Cl2.003 N4 Na4 O13 P8 -","- C107.003 H102 Cl2.003 N4 Na4 O13 P8 -","1","1","","Román-Bravo, Perla; López-Cardoso, Marcela; y García, Patricia García; Höpfl, Herbert; Cea-Olivares, Raymundo","Template-assisted self assembly of two lipophilic polyion aggregates derived from sodium tetraphenyl imidodiphosphinate-complexes containing sodium ions in four different coordination environments.","Chemical communications (Cambridge, England)","2004","","17","1940","1941","10.1039/b406817c","","","0.71073","MoKα","","0.0661","0.0627","","","0.1614","0.1648","","","","","","0.993","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113407","15.8021","0.0009","13.9991","0.0008","23.2013","0.0013","90","","92.411","0.001","90","","5127.9","0.5","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C110 H102 N4 Na4 O14 P8 -","- C110 H102 N4 Na4 O14 P8 -","- C220 H204 N8 Na8 O28 P16 -","2","1","","Román-Bravo, Perla; López-Cardoso, Marcela; y García, Patricia García; Höpfl, Herbert; Cea-Olivares, Raymundo","Template-assisted self assembly of two lipophilic polyion aggregates derived from sodium tetraphenyl imidodiphosphinate-complexes containing sodium ions in four different coordination environments.","Chemical communications (Cambridge, England)","2004","","17","1940","1941","10.1039/b406817c","","","0.71073","MoKα","","0.0822","0.0556","","","0.0934","0.1025","","","","","","0.854","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113408","11.2239","0.0005","14.802","0.0007","18.6314","0.0008","90","","90","","90","","3095.3","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 Fe N4 O7 -","- C26 H36 Fe N4 O7 -","- C104 H144 Fe4 N16 O28 -","4","1","","Barisić, Lidija; Dropucić, Maja; Rapić, Vladimir; Pritzkow, Hans; Kirin, Srećko I; Metzler-Nolte, Nils","The first oligopeptide derivative of 1'-aminoferrocene-1-carboxylic acid shows helical chirality with antiparallel strands.","Chemical communications (Cambridge, England)","2004","","17","2004","2005","10.1039/b407771g","","","0.71073","MoKα","","0.0661","0.046","","","0.1069","0.1174","","","","","","1.067","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7117910","6.5966","","4.8723","","8.4922","","90","","111.92","","90","","253.212","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- As Cs F4 -","- As Cs F4 -","- As2 Cs2 F8 -","2","1","","Klampfer, P.; Benkic, P.; Lesar, A.; Volavsek, B.; Ponikvar, M.; Jesih, A.","New alkalimetal and tetramethylammonium tetrafluoroarsenates(III), their vibrational spectra and crystal structure of cesium tetrafluoroarsenate(III)","Collection of Czechoslovak Chemical Communication","2004","69","","339","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7125582","12.305","0.0008","19.623","0.0013","15.65","0.001","90","","99.364","0.008","90","","3728.5","0.4","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 N2 P2 Si2 Sm -","- C39 H47 N2 P2 Si2 Sm -","- C156 H188 N8 P8 Si8 Sm4 -","4","1","","Zulys, Agustino; Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","A samarium cyclooctatetraene complex as catalyst for hydroamination/cyclisation catalysis.","Chemical communications (Cambridge, England)","2004","","22","2584","2585","10.1039/b410918j","","","0.56087","AgKα","","0.0719","0.0585","","","0.1662","0.1811","","","","","","0.986","","","","has coordinates","244062","2020-10-21","18:00:00",""
"7150313","10.455","0.003","10.733","0.003","12.049","0.004","81.24","0.02","83.93","0.02","73.22","0.02","1276.7","0.7","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br4 Cl3 N2 -","- C24 H15 Br4 Cl3 N2 -","- C48 H30 Br8 Cl6 N4 -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.051","","","","0.084","","","","","","1.73","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150314","13.179","0.005","13.971","0.007","20.762","0.009","78.6","0.03","79.29","0.03","80.08","0.03","3645","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Br12 Cl2 N6 -","- C78 H46 Br12 Cl2 N6 -","- C156 H92 Br24 Cl4 N12 -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.047","","","","0.054","","","","","","1.58","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150315","13.144","0.007","13.939","0.006","20.671","0.009","79.67","0.03","81.27","0.02","80.1","0.02","3642","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H52 Br12 N6 O0.5 -","- C81 H51 Br12 N6 O0.5 -","- C162 H102 Br24 N12 O -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.049","","","","0.053","","","","","","1.51","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150316","7.792","0.001","10.213","0.002","11.809","0.003","105.66","0.02","94.91","0.03","102.04","0.02","874.9","0.3","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C7 H7 Cl N4 O -","- C7 H7 Cl N4 O -","- C28 H28 Cl4 N16 O4 -","4","2","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.1401","0.0438","","","0.0944","0.1235","","","","","","0.979","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150317","11.185","0.002","8.1266","0.0004","12.711","0.003","90","","107.343","0.009","90","","1102.9","0.3","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H17 N3 O -","- C10 H17 N3 O -","- C40 H68 N12 O4 -","4","1","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.0581","0.0414","","","0.1066","0.1191","","","","","","1.065","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150318","10.9884","0.0009","11.953","0.001","12.2879","0.0008","65.573","0.006","79.7","0.006","63.521","0.006","1315.3","0.2","296","2","296","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C25 H38 N6 -","- C25 H38 N6 -","- C50 H76 N12 -","2","1","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.0987","0.0577","","","0.1555","0.1826","","","","","","1.024","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7150319","5.8851","0.0013","10.029","0.002","12.416","0.003","112.711","0.004","91.376","0.004","97.897","0.004","667.2","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H35 N O6 -","- C29 H35 N O6 -","- C29 H35 N O6 -","1","1","","Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.","Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.","Organic & biomolecular chemistry","2004","2","4","542","553","10.1039/b311322a","","","0.71073","MoKα","","0.1821","0.0891","","","0.1994","0.2349","","","","","","0.879","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150320","12.425","0.003","18.223","0.005","11.601","0.002","90","","103.042","0.017","90","","2559","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl3 N O4 -","- C24 H26 Cl3 N O4 -","- C96 H104 Cl12 N4 O16 -","4","1","","Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.","Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.","Organic & biomolecular chemistry","2004","2","4","542","553","10.1039/b311322a","","","0.71073","MoKα","","0.0975","0.0726","","","0.1946","0.2173","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150321","9.947","0.001","11.658","0.002","12.796","0.001","67.062","0.009","82.79","0.01","70.76","0.01","1306.7","1.1","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","4,4'-methylenebis(N-salicylidene-2,6-diimethylaniline)","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C62 H60 N4 O4 -","2","1","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71069","MoKα","","0.1687","0.0647","","","0.191","0.2723","","","","","","1.013","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7150322","36.7","0.004","8.747","0.004","10.687","0.004","90","","92.62","0.02","90","","3427","2","296","2","296","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)","","- C39 H46 N2 O2 -","- C39 H46 N2 O2 -","- C156 H184 N8 O8 -","4","0.5","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71073","MoKα","","","0.054","","","","0.065","","","","","","1.002","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150323","18.991","0.004","6.01","0.004","31.619","0.004","90","","103.22","0.01","90","","3513","2","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)","","- C39 H46 N2 O2 -","- C39 H46 N2 O2 -","- C156 H184 N8 O8 -","4","1","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71073","MoKα","","","0.077","","","","0.105","","","","","","1.189","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150324","17.709","0.003","7.553","0.002","19.656","0.002","90","","100.926","0.008","90","","2581.5","0.9","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity.","Organic & biomolecular chemistry","2004","2","4","625","635","10.1039/b312682j","","","1.5418","CuKα","","","0.0585","","","","0.1703","","","","","","1.491","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150325","7.357","0.002","9.914","0.002","40.665","0.001","90","","94.22","0.01","90","","2958","1","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br N2 O4 -","- C15 H11 Br N2 O4 -","- C120 H88 Br8 N16 O32 -","8","2","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity.","Organic & biomolecular chemistry","2004","2","4","625","635","10.1039/b312682j","","","1.5418","CuKα","","","0.0513","","","","0.146","","","","","","1.776","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150326","7.2055","0.0006","7.8564","0.0007","9.9993","0.0008","101.554","0.006","92.508","0.006","103.229","0.003","537.48","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C22 H22 N6 O4 -","2","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1164","0.0787","","","0.2195","0.2499","","","","","","1.066","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150327","7.3056","0.0004","13.9174","0.0009","12.4289","0.0008","90","","106.53","0.003","90","","1211.48","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1502","0.0874","","","0.2058","0.2397","","","","","","1.073","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150328","11.8517","0.0004","7.48","0.0002","15.7266","0.0006","90","","96.839","0.001","90","","1384.25","0.08","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O2 -","- C13 H18 N4 O2 -","- C52 H72 N16 O8 -","4","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.0765","0.0606","","","0.1483","0.1589","","","","","","1.064","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150329","10.7972","0.0007","11.4319","0.0008","11.7065","0.0008","105.934","0.002","112.814","0.003","101.936","0.003","1198.09","0.15","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","2","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1476","0.1003","","","0.2571","0.2837","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150330","8.9586","0.0005","16.1012","0.0009","18.1413","0.001","90","","97.258","0.002","90","","2595.8","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C104 H112 N32 O16 -","8","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1272","0.1086","","","0.3476","0.3693","","","","","","1.575","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150331","6.9777","0.0008","8.3569","0.001","9.3808","0.0011","82.847","0.002","71.23","0.002","77.901","0.002","505.45","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 F2 O5 -","- C8 H14 F2 O5 -","- C16 H28 F4 O10 -","2","1","","Audouard, Christophe; Fawcett, John; Griffiths, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.","Synthesis of 4,4-difluoroglycosides using ring-closing metathesis.","Organic & biomolecular chemistry","2004","2","4","528","541","10.1039/b313731g","","","0.71073","MoKα","","0.0359","0.0334","","","0.0892","0.0907","","","","","","1.111","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150332","30.941","0.01","23.839","0.007","10.252","0.004","90","","90","","90","","7562","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","complex of (R)(+)2,2'-Dihydroxy-1,1'-binaphthyl with (R)(+)N- (3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium Chloride","","","- C78 H87 Cl6 N3 O9 -","- C78 H87 Cl6 N3 O9 -","- C312 H348 Cl24 N12 O36 -","4","1","","Toda, Fumio; Yoshizawa, Kazuhiro; Hyoda, Shunji; Toyota, Shinji; Chatziefthimiou, Spyros; Mavridis, Irene M.","Efficient resolution of 2,2'-dihydroxy-1,1'-binaphthyl by inclusion complexation with chiral N-(3-chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride.","Organic & biomolecular chemistry","2004","2","4","449","451","10.1039/b314040g","","","1.5418","CuKα","","0.0702","0.0446","","","0.1043","0.1202","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150333","7.578","0.0003","9.7836","0.0004","12.0885","0.0005","90","","92.028","0.002","90","","895.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O2 S -","- C9 H14 O2 S -","- C36 H56 O8 S4 -","4","1","","Grainger, Richard S.; Tisselli, Patrizia; Steed, Jonathan W.","Diastereotopic group selective intramolecular cycloadditions of sulfenic acids to 1,4-dienes.","Organic & biomolecular chemistry","2004","2","2","151","153","10.1039/b314176d","","","0.71073","MoKα","","0.056","0.0361","","","0.0779","0.0839","","","","","","1.069","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150334","7.1304","0.0003","10.9979","0.0004","13.4699","0.0006","109.079","0.002","92.054","0.001","100.681","0.002","975.68","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","pt062a","","","- C9 H15 O2.5 S -","- C9 H15 O2.5 S -","- C36 H60 O10 S4 -","4","2","","Grainger, Richard S.; Tisselli, Patrizia; Steed, Jonathan W.","Diastereotopic group selective intramolecular cycloadditions of sulfenic acids to 1,4-dienes.","Organic & biomolecular chemistry","2004","2","2","151","153","10.1039/b314176d","","","0.71073","MoKα","","0.0475","0.0347","","","0.0832","0.0892","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150335","16.3285","0.0016","11.9385","0.0011","17.5557","0.0013","90","","116.7","0.04","90","","3057.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 F2 N O5 -","- C14 H19 F2 N O5 -","- C112 H152 F16 N8 O40 -","8","2","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.1446","0.0595","","","0.125","0.1588","","","","","","0.939","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150336","6.951","0.004","8.869","0.005","13.399","0.007","98.346","0.01","96.497","0.009","91.913","0.01","811","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F2 N O5 -","- C15 H21 F2 N O5 -","- C30 H42 F4 N2 O10 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.178","0.0718","","","0.1506","0.1912","","","","","","0.887","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150337","7.8012","0.0005","8.9989","0.0005","14.119","0.0009","96.881","0.003","102.152","0.003","108.9","0.003","897.6","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 F2 N O5 -","- C16 H23 F2 N O5 -","- C32 H46 F4 N2 O10 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","1.54178","CuKα","","0.0638","0.0563","","","0.1632","0.1693","","","","","","1.08","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150338","7.3657","0.0007","7.5078","0.0007","10.1384","0.0009","77.063","0.002","78.383","0.002","89.452","0.002","534.86","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 F2 O6 -","- C10 H10 F2 O6 -","- C20 H20 F4 O12 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.0354","0.0316","","","0.0851","0.0871","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150339","9.7681","0.0013","11.809","0.0015","10.5162","0.0015","90","","114.677","0.009","90","","1102.3","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H14 F2 O3 -","- C11 H14 F2 O3 -","- C44 H56 F8 O12 -","4","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71069","MoKα","","0.0604","0.0563","","","0.1948","0.2013","","","","","","1.083","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150340","9.8294","0.0012","8.3435","0.0013","13.9113","0.0016","90","","98.998","0.01","90","","1126.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 F2 O3 -","- C11 H16 F2 O3 -","- C44 H64 F8 O12 -","4","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71069","MoKα","","0.086","0.0646","","","0.1743","0.2216","","","","","","1.011","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150341","7.6474","0.0007","21.062","0.005","3.6345","0.0002","90","","90","","90","","585.41","0.15","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","5-pyrimidylboronic acid hemihydrate","","- C4 H6 B N2 O2.5 -","- C4 H6 B N2 O2.5 -","- C16 H24 B4 N8 O10 -","4","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.038","0.0318","","","0.0797","0.0835","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150342","9.1245","0.0011","3.7622","0.0007","20.595","0.006","90","","95.806","0.004","90","","703.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-bis(2-methoxy-3-pyridyl)pyrimidine","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.0547","0.0403","","","0.0965","0.104","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150343","9.6878","0.0016","5.3021","0.0006","15.229","0.003","90","","107.292","0.005","90","","746.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C6 H12 F N O2 -","- C6 H11 F N O2 -","- C24 H44 F4 N4 O8 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.0804","0.0669","","","0.1735","0.1826","","","","","","1.102","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150344","9.005","0.002","16.541","0.005","16.841","0.004","90","","90","","90","","2508.5","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","","0.71073","MoKα","","0.1789","0.0672","","","0.1267","0.1668","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150345","9.637","0.004","5.314","0.003","14.574","0.007","90","","93.1","0.03","90","","745.3","0.6","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C6 H12 F N O2 -","- C6 H8.76 F N O2 -","- C24 H35.04 F4 N4 O8 -","4","2","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.2149","0.1075","","","0.2256","0.2851","","","","","","1.035","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150346","7.356","0.002","19.87","0.005","15.136","0.004","90","","91.37","0.01","90","","2211.7","1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-Butylphenyl)-5-[4-(3,3-diethoxy-propyn-1-yl)- phenyl]-1,3,4-oxadiazole","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0677","0.043","","","0.0958","0.1052","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150347","14.835","0.005","6.161","0.001","25.549","0.003","90","","91.14","0.01","90","","2334.7","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-Butylphenyl)-5-[4-(5,5-diethoxy-1,3-pentadiyn-1-yl)- phenyl]-1,3,4-oxadiazole","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C108 H112 N8 O12 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0838","0.0561","","","0.1371","0.152","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150348","11.945","0.002","6.183","0.001","23.46","0.005","90","","97.94","0.01","90","","1716","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{3-[5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl]-phenyl}- propynal","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0737","0.0525","","","0.1459","0.1606","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150349","10.878","0.001","11","0.001","12.705","0.001","114.866","0.01","105.881","0.01","97.048","0.01","1276.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(3-{4-[5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl]-phenyl}- prop-2-ynylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester","","- C28 H24 N2 O5 S2 -","- C28 H24 N2 O5 S2 -","- C56 H48 N4 O10 S4 -","2","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0406","0.0351","","","0.0904","0.0952","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150350","13.365","0.004","11.036","0.004","19.88","0.003","90","","94.05","0.02","90","","2924.9","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C59 H71 N5 O6 Si3 -","- C59 H66 N5 O6 Si3 -","- C118 H132 N10 O12 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7093","","","0.0995","0.0525","","","0.1492","0.1792","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150351","20.698","0.002","28.908","0.003","11.465","0.0018","90","","90","","90","","6859.9","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C66 H83 N5 O9 Si3 -","- C66 H67 N5 O9 Si3 -","- C264 H268 N20 O36 Si12 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54178","CuKα","","0.0891","0.0807","","","0.1978","0.2047","","","","","","1.157","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150352","9.808","0.0005","10.901","0.0004","21.496","0.0008","90","","95.211","0.002","90","","2288.79","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(triisopropylsilyl)-guanosine","2',3',5'-O-tris(triisopropylsilyl)-guanosine","","- C37 H73 N5 O5 Si3 -","- C37 H73 N5 O5 Si3 -","- C74 H146 N10 O10 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.1122","0.1089","","","0.372","0.3936","","","","","","1.981","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150353","31.591","0.0006","10.875","0.0002","17.005","0.0002","90","","101.092","0.001","90","","5732.97","0.17","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C176 H328 N40 O32 Si16 -","8","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0776","0.0768","","","0.2123","0.2138","","","","","","1.034","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150354","17.326","0.0004","11.369","0.0003","17.395","0.0004","90","","116.838","0.002","90","","3057.38","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C24 H45 N5 O7 Si2 -","- C24 H45 N5 O7 Si2 -","- C96 H180 N20 O28 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0534","0.0533","","","0.1414","0.1415","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150355","10.168","0.0008","8.024","0.0006","22.947","0.0019","90","","90","0.004","90","","1872.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","","- C28 H55 N5 O4 Si3 -","- C28 H55 N5 O4 Si3 -","- C56 H110 N10 O8 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0858","0.0809","","","0.1898","0.1964","","","","","","1.086","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150356","16.428","0.004","7.794","0.006","23.465","0.005","90","","104.988","0.016","90","","2902","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C88 H164 N20 O16 Si8 -","4","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7107","MoKα","","0.1288","0.0454","","","0.1035","0.1288","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150357","7.5","0.0001","8.329","0.0001","43.319","0.0004","90","","90","","90","","2706.03","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","","- C22 H41 N5 O3 Si2 -","- C22 H41 N5 O3 Si2 -","- C88 H164 N20 O12 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.5418","CuKα","","0.0422","0.0416","","","0.1226","0.1256","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150358","7.955","0.0002","12.398","0.0004","18.035","0.0004","98.98","0.002","99.526","0.002","101.012","0.002","1689.22","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","2',3'-O-bis(triisopropylsilyl)-guanosine","2',3'-O-bis(triisopropylsilyl)-guanosine","","- C28 H53 N5 O5 Si2 -","- C28 H53 N5 O5 Si2 -","- C56 H106 N10 O10 Si4 -","2","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0883","0.0857","","","0.2408","0.2496","","","","","","1.056","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150359","8.124","0.004","16.606","0.01","7.179","0.003","90","","113.24","0.02","90","","889.9","0.8","150","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,5-diazido-4-methyl(1,5-b)tetrazolopridazine","3,5-diazido-4-methyl[1,5-b]tetrazolopridazine","","- C5 H3 N11 -","- C5 H3 N11 -","- C20 H12 N44 -","4","1","","Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter","Studies on pyridazine azide cyclisation reactions.","Organic & biomolecular chemistry","2004","2","12","1782","1788","10.1039/b316190k","","","0.56356","synchrotron","","0.2443","0.2088","","","0.5283","0.5585","","","","","","2.339","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150360","5.7327","0.0008","7.6069","0.0006","10.45","0.002","96.967","0.013","104.847","0.014","109.68","0.008","403.83","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C5 H5 N9 -","- C5 H5 N9 -","- C10 H10 N18 -","2","1","","Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter","Studies on pyridazine azide cyclisation reactions.","Organic & biomolecular chemistry","2004","2","12","1782","1788","10.1039/b316190k","","","1.54178","CuKα","","0.0773","0.0536","","","0.1246","0.1315","","","","","","1.284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150361","19.275","0.004","8.415","0.003","23.953","0.005","90","","111.9","0.01","90","","3604.8","1.7","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","C36 H34 B2 F8 N6 O1 Pt1","","","- C36 H34 B2 F8 N6 O Pt -","- C36 H34 B2 F8 N6 O Pt -","- C144 H136 B8 F32 N24 O4 Pt4 -","4","1","","Sielemann, Dirk; Winter, Andreas; Flörke, Ulrich; Risch, Nikolaus","Selective synthesis of U-shaped terpyridines. Versatile ligands for the preparation of platinum complexes.","Organic & biomolecular chemistry","2004","2","6","863","868","10.1039/b316633c","","","0.71073","MoKα","","0.0902","0.0537","","","0.1207","0.1367","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150362","6.8956","0.0002","8.0263","0.0002","25.0635","0.0007","90","","90","","90","","1387.17","0.07","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F O3 -","- C15 H17 F O3 -","- C60 H68 F4 O12 -","4","1","","Buffet, Marianne F.; Dixon, Darren J.; Ley, Steven V.; Reynolds, Dominic J.; Storer, R. Ian","Anomeric oxygen to carbon rearrangements of alkynyl tributylstannane derivatives of furanyl (gamma)- and pyranyl (delta)-lactols.","Organic & biomolecular chemistry","2004","2","8","1145","1154","10.1039/b316858a","","","0.71073","MoKα","","0.0892","0.0625","","","0.1631","0.1868","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150363","9.642","0.007","10.277","0.007","10.081","0.007","90","","91.89","0.03","90","","998.4","1.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","5,6-Bis(trifluoromethyl)-2-methoxy-1H-1,3-diazepine","5,6-Bis(trifluoromethyl)-2-methoxy-1H-1,3-diazepine","","- C8 H6 F6 N2 O -","- C8 H6 F6 N2 O -","- C32 H24 F24 N8 O4 -","4","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0653","0.0494","","","0.149","0.1637","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150364","13.243","0.003","5.6585","0.0005","13.304","0.003","90","","116.61","0.01","90","","891.3","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","6,7-Bis(trifluoromethyl)-2,4-diazabicyclo(3.2.0)heptan-3-one","6,7-Bis(trifluoromethyl)-2,4-diazabicyclo[3.2.0]heptan-3-one","","- C7 H6 F6 N2 O -","- C7 H6 F6 N2 O -","- C28 H24 F24 N8 O4 -","4","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0909","0.0423","","","0.101","0.1223","","","","","","1.013","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150365","7.607","0.002","8.04","0.002","8.369","0.001","96.79","0.02","98.36","0.03","104.7","0.02","483.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","4-Diethylamino-1,5-dihydro-(1,3)diazepin-2-one","4-Diethylamino-1,5-dihydro-[1,3]diazepin-2-one","","- C9 H15 N3 O -","- C9 H15 N3 O -","- C18 H30 N6 O2 -","2","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0727","0.0434","","","0.1088","0.1244","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150366","5.8002","0.0001","14.4736","0.0003","15.751","0.0003","90","","91.141","0.001","90","","1322.03","0.04","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol","","- C38 H26 O2 -","- C38 H26 O2 -","- C76 H52 O4 -","2","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0541","0.043","","","0.1123","0.1198","","","","","","1.008","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150367","10.2961","0.0001","14.9893","0.0002","17.8825","0.0003","108.255","0.001","91.524","0.001","109.284","0.001","2447.71","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N- dimethylacetamide) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N-dimethylacetamide) clathrate","","- C54 H62 N4 O6 -","- C54 H26 N4 O6 -","- C108 H52 N8 O12 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.1611","0.0894","","","0.2508","0.299","","","","","","1.071","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150368","7.9629","0.0003","9.0266","0.0004","13.5092","0.0007","77.015","0.002","83.033","0.002","84.212","0.002","936.47","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N- dimethylacetamide) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N-dimethylacetamide) clathrate","","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","1","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.1197","0.0695","","","0.1722","0.2029","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150369","13.1096","0.0003","12.8883","0.0002","12.0038","0.0002","90","","92.247","0.001","90","","2026.61","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate","","- C50 H50 O8 -","- C50 H50 O8 -","- C100 H100 O16 -","2","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0729","0.0468","","","0.1071","0.1191","","","","","","1.024","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150370","7.7993","0.0001","21.9845","0.0004","21.0296","0.0004","90","","94.552","0.001","90","","3594.44","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate","","- C46 H42 O4 -","- C46 H42 O4 -","- C184 H168 O16 -","4","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0582","0.044","","","0.1027","0.1106","","","","","","1.022","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150371","7.319","0.001","21.573","0.001","8.799","0.001","90","","108.02","0.01","90","","1321.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C44 H76 N4 O24 -","4","1","","Griesbeck, Axel G.; Bondock, Samir; Lex, Johann","Stereoselective generation of vicinal stereogenic quaternary centers by photocycloaddition of 5-methoxy oxazoles to alpha-keto esters: synthesis of erythro beta-hydroxy dimethyl aspartates.","Organic & biomolecular chemistry","2004","2","8","1113","1115","10.1039/b401990c","","","0.71073","MoKα","","0.1965","0.0562","","","0.1017","0.139","","","","","","0.956","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150372","25.75","0.01","11.464","0.002","20.37","0.007","90","","125.61","0.02","90","","4889","3","296","2","296","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Br N O5 -","- C23.992 H31.972 Br N O5 -","- C191.936 H255.776 Br8 N8 O40 -","8","1","","Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.","Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.","Organic & biomolecular chemistry","2004","2","6","806","807","10.1039/b402200a","","x-ray","0.71073","MoKα","","0.1682","0.0529","","","0.1241","0.1662","","","","","","0.998","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150373","7.2889","0.0008","12.26","0.001","16.917","0.004","99.24","0.01","97.78","0.02","90.4","0.01","1477.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C32 H39 N O8 -","- C32 H39 N O8 -","- C64 H78 N2 O16 -","2","1","","Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.","Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.","Organic & biomolecular chemistry","2004","2","6","806","807","10.1039/b402200a","","x-ray","0.71073","MoKα","","0.2611","0.0776","","","0.1871","0.2736","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150374","8.827","0.002","21.647","0.004","11.075","0.002","90","","100.493","0.003","90","","2080.8","0.7","293","1","293","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 S2 -","- C27 H20 S2 -","- C108 H80 S8 -","4","1","","van Delden, Richard A.; ter Wiel, Matthijs K. J.; de Jong, Harmen; Meetsma, Auke; Feringa, Ben L.","Exploring the boundaries of a light-driven molecular motor design: new sterically overcrowded alkenes with preferred direction of rotation.","Organic & biomolecular chemistry","2004","2","10","1531","1541","10.1039/b402222j","","","0.71073","MoKα","","0.0834","0.0498","","","0.1179","0.1342","","","","","","1.022","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150375","15.582","0.0009","9.9509","0.0006","7.9189","0.0005","90","","97.128","0.003","90","","1218.37","0.13","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","1","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.033","0.0309","","","0.0718","0.0735","","","","","","1.098","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150376","5.8416","0.0001","6.9482","0.0002","31.7123","0.0012","86.981","0.001","89.733","0.001","68.635","0.001","1196.89","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","2","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.0836","0.0603","","","0.1211","0.1306","","","","","","1.145","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150377","12.61","0.003","12.464","0.003","16.763","0.003","90","","107.01","0.03","90","","2519.4","1","240","","240","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C104 H136 N24 O8 -","8","2","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.1194","0.0477","","0.0581","0.0443","0.0443","","","","","","1.1747","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150378","7.575","0.005","13.478","0.006","10.641","0.006","90","","109.04","0.05","90","","1027","1","295","","295","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C16 H33 N O5 Si -","- C16 H33 N O5 Si -","- C32 H66 N2 O10 Si2 -","2","1","","Li, Hongqing; Blériot, Yves; Chantereau, Caroline; Mallet, Jean-Maurice; Sollogoub, Matthieu; Zhang, Yongmin; Rodríguez-García, Eliazar; Vogel, Pierre; Jiménez-Barbero, Jesús; Sinaÿ, Pierre","The first synthesis of substituted azepanes mimicking monosaccharides: a new class of potent glycosidase inhibitors.","Organic & biomolecular chemistry","2004","2","10","1492","1499","10.1039/b402542c","","","0.71073","MoKα","","0.0799","0.0577","","0.0929","0.068","0.068","","","","","","1.0005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150379","11.431","0.01","14.985","0.015","10.19","0.03","92.1","0.2","104.7","0.17","70.09","0.09","1585","5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38.6 N2 O10.3 -","- C32 H38 N2 O10.3 -","- C64 H76 N4 O20.6 -","2","1","","Pasini, Dario; Righetti, Pier Paolo; Zema, Michele","C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.","Organic & biomolecular chemistry","2004","2","12","1764","1769","10.1039/b403494e","","","0.71073","MoKα","","0.1944","0.0854","","","0.1767","0.2221","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150380","8.186","0.005","18.852","0.016","6.057","0.015","96.7","0.2","106.03","0.11","80.81","0.08","884","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O12 -","- C36 H46 N2 O12 -","- C36 H46 N2 O12 -","1","0.5","","Pasini, Dario; Righetti, Pier Paolo; Zema, Michele","C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.","Organic & biomolecular chemistry","2004","2","12","1764","1769","10.1039/b403494e","","","0.71073","MoKα","","0.3122","0.1514","","","0.3324","0.4208","","","","","","1.048","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150381","6.9162","0.0012","21.895","0.004","20.761","0.003","90","","91.611","0.004","90","","3142.6","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 I2 Se6 -","- C8 H4 I2 Se6 -","- C64 H32 I16 Se48 -","8","2","","Shirahata, Takashi; Imakubo, Tatsuro","Synthesis of novel selenium-containing donors as selenium analogues of diiodo(ethylenedithio)diselenadithiafulvalene (DIETS).","Organic & biomolecular chemistry","2004","2","12","1685","1687","10.1039/b406092j","","","0.71073","MoKα","","0.0706","0.0537","","","0.1321","0.1422","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150382","6.4271","0.0003","7.7669","0.0004","14.1095","0.0008","95.29","0.002","94.206","0.002","111.866","0.002","646.44","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C28 H28 F6 N2 O4 -","2","1","","Hoffmann-Röder, Anja; Seiler, Paul; Diederich, François","Nucleophilic trifluoromethylation of cyclic imides using (trifluoromethyl)trimethylsilane CF3SiMe3.","Organic & biomolecular chemistry","2004","2","16","2267","2269","10.1039/b407555b","","","0.7107","MoKα","","0.0723","0.0467","","","0.127","0.1507","","","","","","0.931","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150383","5.473","0.0002","11.0206","0.0004","12.9676","0.0005","90","","100.877","0.002","90","","768.1","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 O8 S -","- C14 H16 O8 S -","- C28 H32 O16 S2 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Palomero, Maria A.; Polara, Alessandra; Rodriguez, Felix; Sheppard, Tom D.","Studies on the generation of enolate anions from butane-2,3-diacetal protected glycolic acid derivatives and subsequent highly diastereoselective coupling reactions with aldehydes and acid chlorides.","Organic & biomolecular chemistry","2004","2","24","3618","3627","10.1039/b412790k","","","0.71069","MoKα","","0.0475","0.0385","","","0.0883","0.0935","","","","","","1.125","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151552","12.5942","0.0011","18.0596","0.0017","22.178","0.002","97.231","0.002","97.264","0.002","104.726","0.002","4773.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H70 O5 -","- C51 H70 O5 -","- C204 H280 O20 -","4","2","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.13","0.073","","0.093","","0.088","","","1.344","","","1.479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151553","19.111","0.002","19.764","0.002","18.122","0.002","90","","90","","90","","6844.9","1.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H91 N O35 Ru3 S4 -","- C62 H81 N O35 Ru3 S4 -","- C248 H324 N4 O140 Ru12 S16 -","4","0.5","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.103","0.053","","0.087","","0.055","","","1.24","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151554","11.187","0.002","12.038","0.002","12.244","0.002","61.561","0.002","69.877","0.002","74.679","0.002","1351.3","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl3 N O4 -","- C29 H30 Cl3 N O4 -","- C58 H60 Cl6 N2 O8 -","2","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.059","0.042","","0.052","","0.047","","","0.943","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151555","12.307","0.001","31.192","0.003","12.43","0.001","90","","112.518","0.001","90","","4407.8","0.7","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 O4 -","- C50 H60 O4 -","- C200 H240 O16 -","4","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.071","0.046","","0.058","","0.052","","","1.127","","","1.215","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151556","26.365","0.001","12.614","0.001","12.585","0.003","90","","90","","90","","4185.4","1.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46.5 H59.75 N1.25 O4 -","- C46.486 H59.729 N1.243 O4 -","- C185.944 H238.916 N4.972 O16 -","4","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.089","0.073","","0.08","","0.078","","","1.133","","","1.204","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151557","21.163","0.002","21.401","0.002","25.508","0.002","107.194","0.001","108.912","0.001","90.083","0.002","10380.1","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C55.5 H76 O8 -","- C55.5 H72 O8 -","- C444 H576 O64 -","8","4","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.201","0.107","","0.133","","0.12","","","1.5","","","1.85","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151558","12.439","0.003","13.78","0.003","14.061","0.003","78.082","0.004","88.428","0.004","76.002","0.004","2287.6","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H70 O5 -","- C51 H70 O5 -","- C102 H140 O10 -","2","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.142","0.075","","0.088","","0.081","","","1.224","","","1.244","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151575","14.2716","0.0002","17.0905","0.0003","17.5293","0.0002","76.145","0.001","74.066","0.001","80.183","0.001","3966.45","0.1","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[C60F15{C(CO2Et)3}3].2(CDCl3)","","","- C92 H45 Cl6 D2 F15 O18 -","- C92 H47 Cl6 F15 O18 -","- C184 H94 Cl12 F30 O36 -","2","1","","Burley, Glenn A.; Avent, Anthony G.; Gol'dt, Ilya V.; Hitchcock, Peter B.; Al-Matar, Hamad; Paolucci, Demis; Paolucci, Francesco; Fowler, Patrick W.; Soncini, Alessandro; Street, Joan M.; Taylor, Roger","Design and synthesis of multi-component 18 pi annulenic fluorofullerene ensembles suitable for donor-acceptor applications.","Organic & biomolecular chemistry","2004","2","3","319","329","10.1039/b309959h","","x-ray","0.71073","MoKα","","0.1172","0.0902","","","0.2301","0.2518","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151576","10.12","0.001","7.299","0.001","10.965","0.001","90","","98.76","0.01","90","","800.49","0.16","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 F O4 -","- C7 H9 F O4 -","- C28 H36 F4 O16 -","4","1","","Rosen, Thomas C.; De Clercq, Erik; Balzarini, Jan; Haufe, Günter","Synthesis and antiviral activity of monofluorinated cyclopropanoid nucleosides.","Organic & biomolecular chemistry","2004","2","2","229","237","10.1039/b310059f","","","1.54178","CuKα","","0.0544","0.0532","","","0.1559","0.1582","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151577","6.9444","0.0011","6.4862","0.001","9.16","0.002","90","","99.437","0.014","90","","407.01","0.13","","","110","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo(5,4-c)-pyridine- 5-carboxylic acid ((S)-(-)-5-HPCA)","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]- pyridine-5-carboxylic acid [(S)-(-)-5-HPCA]","","- C7 H10 N2 O5 -","- C7 H10 N2 O5 -","- C14 H20 N4 O10 -","2","1","","Vogensen, Stine B.; Greenwood, Jeremy R.; Varming, Annemarie R.; Brehm, Lotte; Pickering, Darryl S.; Nielsen, Birgitte; Liljefors, Tommy; Clausen, Rasmus P.; Johansen, Tommy N.; Krogsgaard-Larsen, Povl","A stereochemical anomaly: the cyclised (R)-AMPA analogue (R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid [(R)-5-HPCA] resembles (S)-AMPA at glutamate receptors.","Organic & biomolecular chemistry","2004","2","2","206","213","10.1039/b310450h","","","1.5418","CuKα","","0.0219","0.0207","","0.0305","0.0287","0.0287","","","","","","1.0663","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151589","7.621","0.001","8.543","0.001","14.83","0.002","90","","90","","90","","965.5","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H7 Cl F N -","- C2 H7 Cl F N -","- C16 H56 Cl8 F8 N8 -","8","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.0344","0.0265","","","0.0651","0.0688","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151590","6.821","0.007","10.177","0.009","12.07","0.02","110.74","0.13","90.8","0.2","103.32","0.09","758.3","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl F N -","- C16 H19 Cl F N -","- C32 H38 Cl2 F2 N2 -","2","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.1876","0.0887","","","0.2026","0.2708","","","","","","0.935","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151591","7.34","0.002","9.302","0.003","12.025","0.004","90","","92.072","0.005","90","","820.5","0.4","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H13 Cl F N O -","- C6 H13 Cl F N O -","- C24 H52 Cl4 F4 N4 O4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.0419","0.0391","","","0.1017","0.1052","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151592","7.335","0.002","6.9524","0.0019","13.17","0.004","90","","93.567","0.005","90","","670.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl F2 N -","- C4 H10 Cl F2 N -","- C16 H40 Cl4 F8 N4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.1038","0.0645","","","0.1541","0.1776","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151593","9.21","0.03","12.66","0.04","14.89","0.05","90","","90","","90","","1736","10","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl F N -","- C19 H23 Cl F N -","- C76 H92 Cl4 F4 N4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.129","0.0475","","","0.0793","0.1007","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151594","4.8021","0.001","11.86","0.002","21.79","0.004","90","","95.098","0.004","90","","1236.1","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl I N4 O -","- C10 H10 Cl I N4 O -","- C40 H40 Cl4 I4 N16 O4 -","4","1","","Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.","Organic & biomolecular chemistry","2004","2","5","665","670","10.1039/b312629c","","","0.71073","MoKα","","0.0329","0.0279","","","0.0624","0.0645","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151595","7.172","0.002","16.732","0.005","7.577","0.002","90","","115.863","0.004","90","","818.2","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cl I N4 O -","- C5 H4 Cl I N4 O -","- C20 H16 Cl4 I4 N16 O4 -","4","1","","Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.","Organic & biomolecular chemistry","2004","2","5","665","670","10.1039/b312629c","","","0.71073","MoKα","","0.0347","0.0302","","","0.0727","0.0753","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151596","10.841","0.002","11.998","0.003","12.157","0.003","103.14","0.02","97.91","0.02","103.65","0.02","1465.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Br N O2 -","- C15 H19 Br N O2 -","- C60 H76 Br4 N4 O8 -","4","2","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.1402","0.0754","","","0.1702","0.2017","","","","","","1.11","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151597","6.521","0.001","8.187","0.001","17.336","0.002","90","","92.72","0.01","90","","924.5","0.2","293","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O3 -","- C17 H27 Cl2 N O3 -","- C34 H54 Cl4 N2 O6 -","2","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0337","0.031","","","0.0863","0.0888","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151598","7.2507","0.0011","12.939","0.002","15.788","0.002","90","","90","","90","","1481.2","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O2 -","- C15 H20 Cl N O2 -","- C60 H80 Cl4 N4 O8 -","4","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0651","0.0453","","","0.0962","0.1151","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151599","18.525","0.003","10.4917","0.0015","15.695","0.002","90","","95.085","0.002","90","","3038.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 Cl4 O2 Sn4 -","- C20 H40 Cl4 O2 Sn4 -","- C80 H160 Cl16 O8 Sn16 -","4","0.5","","Cunningham, Anthony; Mokal-Parekh, Vijaya; Wilson, Claire; Woodward, Simon","On the use of mixtures of organotin species for catalytic enantioselective ketone allylation‒a detective story.","Organic & biomolecular chemistry","2004","2","5","741","748","10.1039/b313384b","","","0.71073","MoKα","","0.0443","0.0332","","","0.0847","0.0888","","","","","","1.031","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151600","18.064","0.001","13.961","0.001","9.143","0.001","90","","90","","90","","2305.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O4 -","- C25 H31 N O4 -","- C100 H124 N4 O16 -","4","1","","Urones, Julio G.; Garrido, Narciso M.; Díez, David; El Hammoumi, Mohamed M.; Dominguez, Sara H.; Antonio Casaseca, J.; Davies, Stephen G.; Smith, Andrew D.","Asymmetric synthesis of the stereoisomers of 2-amino-5-carboxymethyl-cyclopentane-1-carboxylate.","Organic & biomolecular chemistry","2004","2","3","364","372","10.1039/b313386a","","","1.5418","CuKα","","0.0483","0.0457","","0.1272","0.121","","","","1.047","1.041","1.041","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151601","18.1633","0.0008","11.0249","0.0005","14.0928","0.0008","90","","97.171","0.002","90","","2800","0.2","","","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2'-dihydroxyl-1,1'-binaphthyl diquinoline","2,2'-dihydroxyl-1,1'-binaphthyl diquinoline","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C152 H112 N8 O8 -","4","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.1264","0.0531","","","0.1001","0.1235","","","","","","1.017","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151602","14.8402","0.0003","10.5377","0.0002","9.7304","0.0002","90","","99.443","0.001","90","","1501.04","0.05","","","203","2","","","","","","","","4","C 1 2 1","C 2y","5","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","","- C40 H32 N2 O2 -","- C40 H32 N2 O2 -","- C80 H64 N4 O4 -","2","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.063","0.0378","","","0.081","0.0894","","","","","","1.037","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151603","8.8396","0.0001","9.4695","0.0001","21.6106","0.0003","94.652","0.001","98.068","0.001","103.822","0.001","1726.77","0.04","","","203","2","","","","","","","","4","P -1","-P 1","2","2,2'-dihydroxyl-1,1'-binaphthyl 6-methylquinoline clathrate","2,2'-dihydroxyl-1,1'-binaphthyl 6-methylquinoline clathrate","","- C45 H36.5 N2.5 O2 -","- C45 H32 N2.5 O2 -","- C90 H64 N5 O4 -","2","1","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.118","0.0745","","","0.2028","0.2283","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151604","14.4495","0.0003","11.0481","0.0003","19.6571","0.0006","90","","105.1","0.001","90","","3029.7","0.14","","","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2-dihydroxyl-1,1'-binaphthyl di-8-methylquinoline","2,2-dihydroxyl-1,1'-binaphthyl di-8-methylquinoline","","- C40 H32 N2 O2 -","- C40 H32 N2 O2 -","- C160 H128 N8 O8 -","4","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.111","0.0534","","","0.1265","0.152","","","","","","1.018","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151605","8.9072","0.0013","18.141","0.003","12.9956","0.0019","90","","94.949","0.003","90","","2092.1","0.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O5 S -","- C20 H24 N2 O5 S -","- C80 H96 N8 O20 S4 -","4","1","","Scanlan, Eoin M.; Slawin, Alexandra M. Z.; Walton, John C.","Preparation of beta- and gamma-lactams from carbamoyl radicals derived from oxime oxalate amides.","Organic & biomolecular chemistry","2004","2","5","716","724","10.1039/b315223e","","","0.71073","MoKα","","0.0405","0.0341","","","0.0831","0.0868","","","","","","1.041","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151606","12.626","0.001","14.332","0.002","20.971","0.002","90","","95.257","0.002","90","","3778.9","0.7","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(Di-tert-butyl-hydroxy-silanyloxy)-2-methyl-5-oxo-2,5-dihydro-furan- -2-carboxylic acid ethyl ester","","- C16 H28 O6 Si -","- C16 H28 O6 Si -","- C128 H224 O48 Si8 -","8","4","","Gathergood, Nicholas; Juhl, Karsten; Poulsen, Thomas B.; Thordrup, Karl; Jørgensen, Karl Anker","Direct catalytic asymmetric aldol reactions of pyruvates: scope and mechanism.","Organic & biomolecular chemistry","2004","2","7","1077","1085","10.1039/b316092k","","","0.71073","MoKα","","","0.055","","","","0.065","","","","","","1.45","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151607","6.4668","0.0005","10.4584","0.0004","19.4553","0.0012","90","","90","","90","","1315.81","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C44 H76 N4 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","x-ray","0.71073","MoKα","","0.0441","0.0397","","","0.1023","0.1052","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151608","9.811","0.007","13.067","0.006","11.121","0.005","90","","104.99","0.04","90","","1377.2","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 F N O4 Si -","- C27 H36 F N O4 Si -","- C54 H72 F2 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","","1.5418","CuKα","","0.0744","0.0635","","0.1749","0.1634","","","","1.061","1.083","1.083","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151609","5.2672","0.0014","12.0311","0.0014","17.196","0.002","104.049","0.009","98.288","0.015","99.018","0.015","1025","0.3","290","2","290","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H25 N O2 Se -","- C22 H25 N O2 Se -","- C44 H50 N2 O4 Se2 -","2","2","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0362","0.0325","","","0.0712","0.0735","","","","","","1.097","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151610","9.055","0.0009","4.8997","0.0006","18.0554","0.0019","90","","100.842","0.003","90","","786.76","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 Se -","- C19 H19 N O2 Se -","- C38 H38 N2 O4 Se2 -","2","1","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0319","0.0319","","","0.0914","0.0914","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151611","10.2869","0.0016","6.7635","0.0011","11.4718","0.0018","90","","111.162","0.003","90","","744.3","0.2","289","2","289","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(E)-4-(11-azuleno(2,1-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[2,1-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C40 H28 O2 S2 -","2","0.5","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative.","Organic & biomolecular chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.0529","0.0413","","","0.11","0.1173","","","","","","1.027","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151612","18.905","0.003","4.7718","0.0007","33.799","0.005","90","","90","","90","","3049","0.8","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(E)-4-(11-azuleno(1,2-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[1,2-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C160 H112 O8 S8 -","8","2","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative","Organic & Biomolecular Chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.1765","0.0827","","","0.1934","0.2379","","","","","","0.917","","","","has coordinates","275176","2022-05-07","00:55:58",""
"7151613","9.767","0.005","13.052","0.004","11.178","0.004","90","","105.26","0.03","90","","1374.7","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 D3 N O4 Si -","- C27 H37 N O4 Si -","- C54 H74 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3R)-[3',3',3'-2H3]-valine and (2S,3S)-4-fluorovaline.","Organic & biomolecular chemistry","2004","2","9","1310","1314","10.1039/b401646g","","","1.5418","CuKα","","0.0595","0.0479","","0.1277","0.1173","","","","1.047","1.058","1.058","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151614","7.673","0.001","11.394","0.002","11.894","0.002","97.22","0.01","106.92","0.01","90.85","0.01","985.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F2 N3 O2 -","- C23 H19 F2 N3 O2 -","- C46 H38 F4 N6 O4 -","2","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","1.5418","CuKα","","0.0533","0.0449","","","0.1256","0.1343","","","","","","1.08","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151615","9.4926","0.0002","10.3004","0.0003","10.9831","0.0003","93.68","0.001","94.13","0.001","115.22","0.001","963.64","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F2 N3 O2 -","- C23 H19 F2 N3 O2 -","- C46 H38 F4 N6 O4 -","2","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0583","0.0437","","","0.1161","0.1293","","","","","","1.048","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151616","3.7369","0.0002","6.2036","0.0003","28.8526","0.0018","90","","90","","90","","668.87","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H3 F2 N O -","- C8 H3 F2 N O -","- C32 H12 F8 N4 O4 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0405","0.0327","","","0.0677","0.0722","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151617","11.636","0.0006","6.9444","0.0004","26.6949","0.0016","90","","98.983","0.002","90","","2130.6","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl F3 N3 O3 -","- C23 H21 Cl F3 N3 O3 -","- C92 H84 Cl4 F12 N12 O12 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0782","0.0664","","","0.1639","0.1709","","","","","","1.169","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151618","4.889","0.0007","20.18","0.002","19.844","0.002","90","","96.211","0.005","90","","1946.3","0.4","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 F3 N3 O2 -","- C23 H18 F3 N3 O2 -","- C92 H72 F12 N12 O8 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.1434","0.1252","","","0.3214","0.3317","","","","","","1.161","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151619","8.3987","0.0006","5.7449","0.0004","15.9653","0.0012","90","","90.774","0.001","90","","770.25","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Yamamoto, Yoshihiko; Kinpara, Keisuke; Saigoku, Tomoaki; Nishiyama, Hisao; Itoh, Kenji","Synthesis of benzo-fused lactams and lactones via Ru(II)-catalyzed cycloaddition of amide- and ester-tethered alpha,omega-diynes with terminal alkynes: electronic directing effect of internal conjugated carbonyl group.","Organic & biomolecular chemistry","2004","2","9","1287","1294","10.1039/b402649g","","","0.71073","MoKα","","0.0506","0.0493","","","0.1318","0.1349","","","","","","0.719","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151620","19.184","0.003","19.184","0.003","10.165","0.004","90","","90","","90","","3741","1.7","180","2","180","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H26 F2 O8 -","- C16 H26 F2 O8 -","- C128 H208 F16 O64 -","8","1","","Frederickson, Martyn; Roszak, Aleksander W.; Coggins, John R.; Lapthorn, Adrian J.; Abell, Chris","(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.","Organic & biomolecular chemistry","2004","2","11","1592","1596","10.1039/b404535a","","","0.71069","MoKα","","0.0738","0.0473","","0.1077","0.096","","","","1.024","1.07","1.07","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151621","9.2885","0.0004","9.7175","0.0004","10.1841","0.0005","67.61","0.002","83.86","0.002","66.887","0.002","780.73","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Ethyl-5-acetyl-8-methoxy-3a,4,5,9b-tetrahydro-3H- cyclopenta(c)quinoline -4-carboxylate","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew","Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.","Organic & biomolecular chemistry","2004","2","17","2451","2460","10.1039/b407293f","","","0.71073","MoKα","","0.0735","0.049","","","0.1329","0.1433","","","","","","1.034","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151622","7.959","0.014","16.44","0.014","12.342","0.013","90","","90.01","0.01","90","","1615","4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew","Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.","Organic & biomolecular chemistry","2004","2","17","2451","2460","10.1039/b407293f","","x-ray","1.54178","CuKα","","0.0867","0.0559","","","0.1366","0.1564","","","","","","1.012","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151623","7.22","0.0008","8.7222","0.0013","11.6617","0.0014","90","","98.271","0.011","90","","726.75","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 I N6 O2 -","- C10 H15 I N6 O2 -","- C20 H30 I2 N12 O4 -","2","0.5","","Krüger, Thomas; Bruhn, Clemens; Steinborn, Dirk","Synthesis of [(MeCyt)2H]I-structure and stability of a dimeric threefold hydrogen-bonded 1-methylcytosinium 1-methylcytosine cation.","Organic & biomolecular chemistry","2004","2","17","2513","2516","10.1039/b407542k","","","0.71073","MoKα","","0.0418","0.0286","","","0.0557","0.062","","","","","","1.096","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151624","9.287","0.0002","9.393","0.0002","10.735","0.0003","81.726","0.001","72.983","0.001","71.805","0.002","849.25","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","9-[4-(N,N-Dimethylamino)phenyl]ethynyl-acridine","","","- C23 H18 N2 -","- C23 H18 N2 -","- C46 H36 N4 -","2","1","","Elangovan, Arumugasamy; Chiu, Hsing-Hua; Yang, Shu-Wen; Ho, Tong-Ing","Arylethynylacridines: electrochemiluminescence and photophysical properties.","Organic & biomolecular chemistry","2004","2","21","3113","3118","10.1039/b410829a","","","0.71073","MoKα","","0.0671","0.0483","","0.1449","0.1278","","","","1.023","1.067","1.067","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151625","14.668","0.002","5.7076","0.0008","18.373","0.003","90","","95.266","0.003","90","","1531.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Cren, Sylvaine; Gurcha, Sudagar S.; Blake, Alexander J.; Besra, Gurdyal S.; Thomas, Neil R.","Synthesis and biological evaluation of new inhibitors of UDP-Galf transferase‒a key enzyme in M. tuberculosis cell wall biosynthesis.","Organic & biomolecular chemistry","2004","2","17","2418","2420","10.1039/b411554f","","","0.71073","MoKα","","0.0486","0.0396","","","0.107","0.113","","","","","","1.07","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7153515","14.9171","0.0002","12.9531","0.0002","19.9159","0.0003","90","","107.734","0.0008","90","","3665.33","0.09","172","","","","","","","","","","Diederich Group","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","2","","Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois","New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.","Organic & Biomolecular Chemistry","2004","2","14","1962","1964","10.1039/b404311a","","","0.71073","MoKα","","0.0671","0.0485","","","0.1391","0.1541","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153516","7.6166","0.0003","16.8616","0.0008","17.8082","0.0007","88.088","0.003","81.177","0.003","77.664","0.002","2207.83","0.16","100","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H52 Cl1.5 N12 O4 -","- C42.5 H52 Cl1.5 N12 O4 -","- C85 H104 Cl3 N24 O8 -","2","1","","Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois","New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.","Organic & Biomolecular Chemistry","2004","2","14","1962","1964","10.1039/b404311a","","","0.71073","MoKα","","0.1056","0.0843","","","0.2208","0.2353","","","","","","1.622","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153517","5.804","0.001","11.033","0.001","15.991","0.001","90","","90","","90","","1024","0.2","100","","100","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N2 O5 -","- C8 H16 N2 O5 -","- C32 H64 N8 O20 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","0.71073","MoKα","","0.041","0.0389","","0.0311","0.0309","0.0309","","","","","","1.1139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153518","8.2499","0.0009","13.392","0.003","18.48","0.002","90","","90","","90","","2041.7","0.6","298","","","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 I N O4 -","- C19 H26 I N O4 -","- C76 H104 I4 N4 O16 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","1.54175","CuKα","","","0.036","","","0.04","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153519","9.0094","0.0005","13.0282","0.0007","15.5661","0.0012","90","","90","","90","","1827.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N3 O6 Tc -","- C16 H16 N3 O6 Tc -","- C64 H64 N12 O24 Tc4 -","4","1","","van Staveren, Dave R.; Mundwiler, Stefan; Hoffmanns, Ulrich; Pak, Jae Kyoung; Spingler, Bernhard; Metzler-Nolte, Nils; Alberto, Roger","Conjugation of a novel histidine derivative to biomolecules and labelling with [99mTc(OH2)3(CO)3]+Electronic supplementary information (ESI) available: complete 1H and 13C NMR spectra of 14, 15, 16 and 19. See http://www.rsc.org/suppdata/ob/b4/b405575f/","Organic & Biomolecular Chemistry","2004","2","18","2593","2603","10.1039/b405575f","","","0.71073","MoKα","","0.0501","0.0386","","","0.0874","0.0915","","","","","","0.981","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153520","9.685","0.008","8.592","0.006","23.185","0.013","90","","92.13","0.03","90","","1928","2","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","2","","Kino, Rie; Daikai, Kazuhiro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji","Remarkable effect of tris(4-fluorophenyl)phosphine oxide on the stabilization of chiral lanthanum complex catalysts. A new and practical protocol for the highly enantioselective epoxidation of conjugated enonesElectronic supplementary information (ESI) available: HPLC analysis of 2, 1H NMR data for 3 and 4, and crystal data for 5. See http://www.rsc.org/suppdata/ob/b4/b405882h/","Organic & Biomolecular Chemistry","2004","2","13","1822","1824","10.1039/b405882h","","","0.71075","MoKα","","0.1613","0.1203","","","0.2872","0.3124","","","","","","1.067","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153521","21.0458","0.0009","5.9725","0.0002","13.3797","0.0007","90","","110.221","0.002","90","","1578.12","0.12","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0836","0.0571","","","0.1339","0.1506","","","","","","1.123","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153522","19.5297","0.0006","5.7494","0.0002","13.7124","0.0006","90","","105.224","0.002","90","","1485.65","0.1","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0708","0.0475","","","0.1099","0.1201","","","","","","1.021","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153523","12.342","0.017","28.44","0.04","13.777","0.019","90","","107.291","0.018","90","","4617","11","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H19.5 Cl1.5 N3 O6 -","- C19.5 H18.5 Cl1.5 N3 O6 -","- C156 H148 Cl12 N24 O48 -","8","2","","Pearson, Russell J.; Kassianidis, Eleftherios; Slawin, Alexandra M. Z.; Philp, Douglas","Self-replication vs. reactive binary complexes?manipulating recognition-mediated cycloadditions by simple structural modifications","Organic & Biomolecular Chemistry","2004","2","23","3434","3441","10.1039/b406862a","","","0.71073","MoKα","","0.6464","0.162","","","0.2765","0.5156","","","","","","0.818","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153524","31.0859","0.0007","31.0859","0.0007","4.6544","0.0001","90","","90","","120","","3895.12","0.15","150","2","173","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","hexakis(2-pyridylmethyl)cyclotriveratrylene hydrate","","","- C57 H51 N6 O10.5 -","- C57 H48 N6 O10.5 -","- C171 H144 N18 O31.5 -","3","0.166667","","Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.","Building blocks for cyclotriveratrylene-based coordination networks","Organic & Biomolecular Chemistry","2004","2","20","2958","2964","10.1039/b407165d","","","0.71073","MoKα","","0.0884","0.0831","","","0.2232","0.2296","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153525","12.036","0.002","12.09","0.002","18.469","0.004","104.18","0.03","98.27","0.03","109.89","0.03","2372.9","1.1","150","2","293","2","","","","","","","","4","P -1","-P 1","2","tris(8-quinolinylmethyl)cyclotriguaiacylene) aceonitrile solvate","","","- C58 H51 N5 O6 -","- C58 H51 N5 O6 -","- C116 H102 N10 O12 -","2","1","","Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.","Building blocks for cyclotriveratrylene-based coordination networks","Organic & Biomolecular Chemistry","2004","2","20","2958","2964","10.1039/b407165d","","","0.71073","MoKα","","0.0799","0.0627","","","0.1623","0.178","","","","","","1.056","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153526","16.912","0.006","21.522","0.008","31.46","0.012","90.638","0.007","102.614","0.007","105.37","0.008","10746","7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74.5 B3 F12 N2 O8.25 P -","- C45 H74 B3 F12 N2 O8.25 P -","- C360 H592 B24 F96 N16 O66 P8 -","8","4","","Georges, Norma; Loeb, Stephen J.; Tiburcio, Jorge; Wisner, James A.","[2]Rotaxanes containing pyridinium?phosphonium axles and 24-crown-8 ether wheels","Organic & Biomolecular Chemistry","2004","2","19","2751","2756","10.1039/b407653b","","","0.71073","MoKα","","0.2402","0.1061","","","0.2777","0.3365","","","","","","0.975","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153527","22.881","0.003","6.314","0.001","28.86","0.004","90","","109.86","0.01","90","","3921.4","1","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(4-tert-butylphenyl)-5-(4-(2-pyrazylethynyl)phenyl)-1,3,4- oxadiazole","2-(4-tert-butylphenyl)-5-{4-(2-pyrazylethynyl)phenyl}- 1,3,4-oxadiazole","","- C24 H20 N4 O -","- C24 H20 N4 O -","- C192 H160 N32 O8 -","8","2","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0823","0.0497","","","0.1328","0.1537","","","","","","0.971","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153528","6.1665","0.0005","6.9748","0.0005","22.943","0.003","83.55","0.01","84.09","0.01","83.67","0.01","970.45","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-tert-butylphenyl)-5-{4-(3-thienylethynyl)phenyl}- 1,3,4-oxadiazole","","- C24 H20 N2 O S -","- C24 H20 N2 O S -","- C48 H40 N4 O2 S2 -","2","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.041","0.037","","","0.104","0.1081","","","","","","1.02","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153529","6.345","0.002","6.985","0.002","23.672","0.008","94.24","0.01","91.96","0.01","91.93","0.01","1045","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-tert-butylphenyl)-5-{4-(5-ethynyl-2-thienylethynyl)phenyl}- 1,3,4-oxadiazole","","- C26 H20 N2 O S -","- C26 H19.95 N2 O S -","- C52 H39.9 N4 O2 S2 -","2","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0725","0.0451","","","0.1147","0.1366","","","","","","1.072","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153530","6.1798","0.0004","26.851","0.008","13.65","0.001","90","","92.26","0.01","90","","2263.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-butylphenyl)-5-{5-(2-pyrazyl-ethynyl)-2-thienyl}- 1,3,4-oxadiazole, chloroform monosolvate","","- C23 H19 Cl3 N4 O S -","- C23 H19 Cl3 N4 O S -","- C92 H76 Cl12 N16 O4 S4 -","4","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0647","0.035","","","0.0718","0.0809","","","","","","0.93","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153531","8.23","0.01","9.09","0.02","22.57","0.04","90","","90","","90","","1688","5","82","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Wang, Libo; Nakamura, Shuichi; Toru, Takeshi","Highly enantioselective reaction of lithiated N-Boc-thiazolidine: a new chiral formyl anion equivalent","Organic & Biomolecular Chemistry","2004","2","15","2168","2169","10.1039/b408509d","","","1.5419","CuKα","","","0.066","","","","0.068","","","","","","4.581","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153532","9.1902","0.0005","14.444","0.0007","15.8727","0.001","90","","94.398","0.002","90","","2100.8","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Cyclohexyl-2-cyclohexylimino-2-phenylacetimidic acid isopropyl ester","","- C23 H34 N2 O -","- C23 H34 N2 O -","- C92 H136 N8 O4 -","4","2","","Whitby, Richard J.; Gustaf Saluste, C.; Furber, Mark","Synthesis of ?-iminoimidates by palladium catalysed double isonitrile insertion","Organic & Biomolecular Chemistry","2004","2","14","1974","1976","10.1039/b408673m","","","0.71073","MoKα","","0.0683","0.0439","","","0.0905","0.0986","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153533","11.1668","0.0003","11.7777","0.0003","20.32","0.0006","90","","90","","90","","2672.47","0.13","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N4 O3 -","- C30 H36 N4 O3 -","- C120 H144 N16 O12 -","4","1","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1061","0.0765","","","0.1793","0.1945","","","","","","1.036","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153534","13.788","0.002","17.251","0.003","9.9242","0.001","90","","107.786","0.009","90","","2247.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 N3 O3 -","- C23 H35 N3 O3 -","- C92 H140 N12 O12 -","4","1","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1753","0.1281","","","0.2857","0.3148","","","","","","1.065","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153535","13.0112","0.0009","17.31","0.003","17.729","0.004","88.46","0.014","81.647","0.01","88.021","0.01","3947.3","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.17 H40.5 N4.17 O2.33 -","- C25.1667 H40.5 N4.16667 O2.33333 -","- C151 H243 N25 O14 -","6","3","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1121","0.0904","","","0.2491","0.2694","","","","","","1.112","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153536","7.476","0.0001","14.31","0.0002","26.388","0.0004","90","","90","","90","","2823.03","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N3 O5 S2 -","- C28 H41 N3 O5 S2 -","- C112 H164 N12 O20 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71073","MoKα","","0.0619","0.0419","","","0.0854","0.0931","","","","","","0.999","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153537","10.752","0.004","11.183","0.005","21.829","0.01","90","","90","","90","","2624.7","1.9","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 N3 O4 S2 -","- C24 H37 N3 O4 S2 -","- C96 H148 N12 O16 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71069","MoKα","","0.0887","0.0448","","","0.1024","0.1162","","","","","","1.055","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153538","14.1926","0.0007","14.1055","0.0009","18.319","0.0011","90","","90","","90","","3667.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","7-NEt2,4'-OH","","- C19 H20 B F4 N O2 -","- C19 H20 B F4 N O2 -","- C152 H160 B8 F32 N8 O16 -","8","1","","Moncada, Margarida C.; Fern�ndez, Dami�n; Lima, Jo�o C.; Parola, A. Jorge; Lodeiro, Carlos; Folgosa, Filipe; Melo, M. Jo�o; Pina, Fernando","Multistate properties of 7-(N,N-diethylamino)-4?-hydroxyflavylium. An example of an unidirectional reaction cycle driven by pH","Organic & Biomolecular Chemistry","2004","2","19","2802","2808","10.1039/b409260k","","","1.5418","CuKα","","0.0886","0.0607","","","0.1549","0.1975","","","","","","0.998","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153539","10.259","0.001","16.12","0.002","8.654","0.002","104.45","0.01","105.78","0.01","96.235","0.008","1309.5","0.4","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N O4 -","- C31 H31 N O4 -","- C62 H62 N2 O8 -","2","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka","Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors","Organic & Biomolecular Chemistry","2004","2","23","3427","3431","10.1039/b411286e","","","1.5418","CuKα","","","0.0587","","","","0.1827","","","","","","1.358","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153540","7.309","0.001","15.546","0.001","13.8909","0.0009","90","","104.34","0.008","90","","1529.2","0.3","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka","Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors","Organic & Biomolecular Chemistry","2004","2","23","3427","3431","10.1039/b411286e","","","1.5418","CuKα","","","0.0659","","","","0.213","","","","","","1.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153541","10.818","0.011","11.701","0.013","12.827","0.013","105.1","0.1","101.25","0.1","115.44","0.1","1325","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H70 F12 N8 O12 P2 -","- C44 H70 F12 N8 O12 P2 -","- C44 H70 F12 N8 O12 P2 -","1","0.5","","Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor","Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor","Organic & Biomolecular Chemistry","2004","2","20","2911","2918","10.1039/b412059k","","","0.71073","MoKα","","0.1278","0.1101","","","0.2736","0.2874","","","","","","1.055","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153542","8.04","0.01","28.57","0.029","13.42","0.015","90","","93.41","0.1","90","","3077","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 F12 N8 O12 P2 -","- C56 H78 F12 N8 O12 P2 -","- C112 H156 F24 N16 O24 P4 -","2","0.5","","Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor","Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor","Organic & Biomolecular Chemistry","2004","2","20","2911","2918","10.1039/b412059k","","","0.71073","MoKα","","0.1522","0.0956","","","0.1806","0.2043","","","","","","1.077","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153543","10.785","0.002","14.2","0.003","17.438","0.004","94.857","0.004","102.039","0.005","90.567","0.004","2601.4","0.9","203.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C68 H62 N4 -","- C68 H62 N4 -","- C136 H124 N8 -","2","1","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","","0.07","","","","0.199","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153544","30.864","0.008","11.647","0.002","18.709","0.005","90","","117.893","0.005","90","","5944","2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H60 N4 O2 Zn -","- C76 H52 N4 Zn -","- C304 H208 N16 Zn4 -","4","0.5","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","0.1429","0.1022","","","0.295","0.3209","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153545","12.6459","0.0005","15.6657","0.0008","16.2904","0.001","92.816","0.009","111.014","0.01","109.678","0.008","2783.2","0.4","203.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H42 Cl3 N5 Zn -","- C74 H42 Cl3 N5 Zn -","- C148 H84 Cl6 N10 Zn2 -","2","1","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","","0.059","","","","0.18","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153546","7.7959","0.0009","20.639","0.003","11.0953","0.0014","90","","90","","90","","1785.2","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Pathak, Rakhi; Vandayar, Kantharuby; van Otterlo, Willem A. L.; Michael, Joseph P.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of angularly fused polyaromatic compounds by using a light-assisted, base-mediated cyclization reaction","Organic & Biomolecular Chemistry","2004","2","23","3504","3509","10.1039/b412932f","","","0.71073","MoKα","","0.0756","0.0464","","","0.1268","0.1415","","","","","","1.031","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7204689","18.4262","0.0011","20.7941","0.0012","21.1986","0.0012","90","","90","","90","","8122.4","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H71 Hf N O4 Si4 -","- C28 H71 Hf N O4 Si4 -","- C224 H568 Hf8 N8 O32 Si32 -","8","1","","Roberts, John L.; Marshall, Paul A.; Jones, Anthony C.; Chalker, Paul R.; Bickley, Jamie F.; Williams, Paul A.; Taylor, Stephen; Smith, Lesley M.; Critchlow, Gary W.; Schumacher, Marcus; Lindner, Johannes","Deposition of hafnium silicate films by liquid injection MOCVD using a single source or dual source approach","Journal of Materials Chemistry","2004","14","3","391","","10.1039/b305665c","","","0.71073","MoKα","","0.0475","0.0272","","","0.0586","0.0644","","","","","","1.02","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204694","9.814","0.003","11.804","0.003","12.086","0.003","69.327","0.004","85.781","0.004","70.693","0.004","1234.8","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H37 Co O8 Ta -","- C17 H27 Co O8 Ta -","- C34 H54 Co2 O16 Ta2 -","2","1","","Werndrup, Pia; Verdenelli, Martine; Chassagneux, Fernand; Parola, Stephane; Kessler, Vadim G.","Powders and dense thin films of late transition metal oxide nanocomposites from structurally characterized single-source precursorsElectronic supplementary information (ESI) available: further figures and crystallographic details. See http://www.rsc.org/suppdata/jm/b3/b306282a/","Journal of Materials Chemistry","2004","14","3","344","","10.1039/b306282a","","","0.71073","MoKα","","0.0818","0.0605","","","0.1312","0.1351","","","","","","0.868","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204695","8.47","0.002","14.687","0.004","14.815","0.004","90","","90.047","0.005","90","","1843","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 O6 Ta -","- C13 H27 O6 Ta -","- C52 H108 O24 Ta4 -","4","1","","Werndrup, Pia; Verdenelli, Martine; Chassagneux, Fernand; Parola, Stephane; Kessler, Vadim G.","Powders and dense thin films of late transition metal oxide nanocomposites from structurally characterized single-source precursorsElectronic supplementary information (ESI) available: further figures and crystallographic details. See http://www.rsc.org/suppdata/jm/b3/b306282a/","Journal of Materials Chemistry","2004","14","3","344","","10.1039/b306282a","","","0.71073","MoKα","","0.1078","0.0514","","","0.1177","0.1323","","","","","","0.941","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204724","5.521","0.0008","11.8274","0.0017","5.525","0.0008","90","","107.257","0.002","90","","344.54","0.09","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Lanthanum antimony oxide","","- La O9 Sb3 -","- La O9 Sb3 -","- La2 O18 Sb6 -","2","0.5","","Ok, Kang Min; Gittens, Alex; Zhang, Lei; Halasyamani, P. Shiv","Synthesis, structure and characterization of two new antimony oxides?LaSb3O9 and LaSb5O12: Formation of LaSb5O12 from the reaction of LaSb3O9 with Sb2O3Electronic supplementary information (ESI) available: Powder X-ray diffraction patterns (calculated and experimental). See http://www.rsc.org/suppdata/jm/b3/b307496j/","Journal of Materials Chemistry","2004","14","1","116","","10.1039/b307496j","","","0.71073","MoKα","","0.0484","0.0475","","","0.135","0.1357","","","","","","1.304","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204725","7.2707","0.0007","7.2707","0.0007","16.4673","0.0012","90","","90","","120","","753.89","0.12","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lanthanum antimony oxide","","- La O12 Sb5 -","- La O12 Sb5 -","- La3 O36 Sb15 -","3","0.0833333","","Ok, Kang Min; Gittens, Alex; Zhang, Lei; Halasyamani, P. Shiv","Synthesis, structure and characterization of two new antimony oxides?LaSb3O9 and LaSb5O12: Formation of LaSb5O12 from the reaction of LaSb3O9 with Sb2O3Electronic supplementary information (ESI) available: Powder X-ray diffraction patterns (calculated and experimental). See http://www.rsc.org/suppdata/jm/b3/b307496j/","Journal of Materials Chemistry","2004","14","1","116","","10.1039/b307496j","","","0.71073","MoKα","","0.023","0.023","","","0.0596","0.0596","","","","","","1.481","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204736","15.013","0.001","9.462","0.001","13.355","0.001","90","","109.64","0.01","90","","1786.7","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AcOPM-BTTF","4-(4-acetoxyphenyl)-5-methyl-4',5'benzotetrathiafulvalene","","- C19 H14 O2 S4 -","- C19 H14 O2 S4 -","- C76 H56 O8 S16 -","4","1","","Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc","Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/","Journal of Materials Chemistry","2004","14","3","351","","10.1039/b308514g","","","0.71073","MoKα","","0.0545","0.0503","","","0.1332","0.138","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204737","6.641","0.002","23.033","0.005","13.83","0.003","90","","101.19","0.02","90","","2075.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AcOPM-PDSTTF","4-(4-acetoxyphenyl)-5-methyl-4',5'propylenediselenotetrathiafulvalene","","- C18 H16 O2 S4 Se2 -","- C18 H16 O2 S4 Se2 -","- C72 H64 O8 S16 Se8 -","4","1","","Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc","Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/","Journal of Materials Chemistry","2004","14","3","351","","10.1039/b308514g","","","0.71069","MoKα","","0.1229","0.0325","","","0.0995","0.1262","","","","","","0.964","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204738","10.453","0.001","17.267","0.002","11.518","0.001","90","","112.1","0.01","90","","1926.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AcOPM-EDSTTF","4-(4-acetoxyphenyl)-5-methyl-4',5'ethylenediselenotetrathiafulvalene","","- C17 H14 O2 S4 Se2 -","- C17 H14 O2 S4 Se2 -","- C68 H56 O8 S16 Se8 -","4","1","","Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc","Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/","Journal of Materials Chemistry","2004","14","3","351","","10.1039/b308514g","","","0.71073","MoKα","","0.047","0.0357","","","0.095","0.0998","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204739","30.154","0.008","4.052","0.004","39.317","0.009","90","","91.4","0.03","90","","4802","5","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","(AcOPM-EDSTTF)2-TCNQ","","","- C23 H16 N2 O2 S4 Se2 -","- C23 H16 N2 O2 S4 Se2 -","- C184 H128 N16 O16 S32 Se16 -","8","1","","Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc","Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/","Journal of Materials Chemistry","2004","14","3","351","","10.1039/b308514g","","","0.71073","MoKα","","0.1119","0.0484","","","0.1073","0.1309","","","","","","1.028","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204744","8.0797","0.0018","14.555","0.003","28.575","0.007","90","","90","","90","","3360.4","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Zinc phosphate","","","- C3 H14 N2 O11 P2 Zn -","- C3 H14 N2 O11 P2 Zn -","- C24 H112 N16 O88 P16 Zn8 -","8","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.1858","0.1024","","","0.2678","0.331","","","","","","1.003","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204745","20.7603","0.0012","5.2207","0.0003","17.9147","0.001","90","","90","","90","","1941.65","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Zinc Phosphate","","","- C4 H16 N2 O17 P4 Zn5 -","- C4 H15 N2 O17 P4 Zn5 -","- C16 H60 N8 O68 P16 Zn20 -","4","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.039","0.0353","","","0.0818","0.0832","","","","","","1.017","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204746","5.04","0.0009","9.584","0.003","13.117","0.002","101.094","0.019","100.931","0.019","103.598","0.018","585.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zinc Phosphate","","","- H2 N0.5 O13 P3 Zn4 -","- N0.5 O13 P3 Zn4 -","- N O26 P6 Zn8 -","2","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.0495","0.0456","","","0.1204","0.1228","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204747","11.939","0.002","13.803","0.003","7.9473","0.0015","90","","91.514","0.003","90","","1309.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cobalt Phosphate","","","- C3 H9 Co0.5 N O4 P -","- C3 H9 Co0.5 N O4 P -","- C24 H72 Co4 N8 O32 P8 -","8","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.0384","0.0343","","","0.1059","0.1078","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204748","7.2743","0.0018","23.03","0.006","9.873","0.002","90","","93.131","0.004","90","","1651.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cobalt Phosphate","","","- C6 H21 Co2 N3 O13 P3 -","- C6 H21 Co2 N3 O13 P3 -","- C24 H84 Co8 N12 O52 P12 -","4","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.0727","0.0501","","","0.1348","0.1464","","","","","","1.03","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204749","9.422","0.0009","9.5705","0.0009","9.931","0.001","90","","90","","90","","895.51","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Al2 H10 N2 O10 P2 -","- Al2 H6 N O11 P2 -","- Al8 H24 N4 O44 P8 -","4","1","","M. Eloísa Medina; M. Iglesias; E. Gutiérrez-Puebla; M. Angeles Monge","Solvothermal synthesis and structural relations among three anionic aluminophosphates; catalytic behaviour","J. Mater. Chem.","2004","14","5","845","850","10.1039/b311618b","","","0.71073","MoKα","","0.0395","0.0351","","","0.0842","0.0852","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204750","13.261","0.003","10.255","0.002","8.8627","0.0019","90","","111.407","0.004","90","","1122.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Al2 H12 N3 O12 P3 -","- Al2 H12 N3 O12 P3 -","- Al8 H48 N12 O48 P12 -","4","0.5","","M. Eloísa Medina; M. Iglesias; E. Gutiérrez-Puebla; M. Angeles Monge","Solvothermal synthesis and structural relations among three anionic aluminophosphates; catalytic behaviour","J. Mater. Chem.","2004","14","5","845","850","10.1039/b311618b","","","0.71073","MoKα","","0.1375","0.0722","","","0.1237","0.1433","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204751","8.9998","0.0009","9.979","0.001","11.1099","0.0011","90","","90.645","0.002","90","","997.71","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al H12 N3 O8 P2 -","- Al H12 N3 O8 P2 -","- Al4 H48 N12 O32 P8 -","4","1","","M. Eloísa Medina; M. Iglesias; E. Gutiérrez-Puebla; M. Angeles Monge","Solvothermal synthesis and structural relations among three anionic aluminophosphates; catalytic behaviour","J. Mater. Chem.","2004","14","5","845","850","10.1039/b311618b","","","0.71073","MoKα","","0.0889","0.0579","","","0.1333","0.1406","","","","","","0.892","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204753","14.0717","0.0011","14.7803","0.0008","17.3186","0.0012","114.918","0.004","92.242","0.006","115.042","0.005","2854.1","0.4","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H84 Ag3 N3 P6 Se6 -","- C36 H84 Ag3 N3 P6 Se6 -","- C72 H168 Ag6 N6 P12 Se12 -","2","1","","Afzaal, Mohammad; Crouch, David J.; O'Brien, Paul; Raftery, James; Skabara, Peter J.; White, Andrew J. P.; Williams, David J.","The synthesis, X-ray structures and CVD studies of some group 11 complexes of iminobis(diisopropylphosphine selenides) and their use in the deposition of I/III/VI photovoltaic materials","Journal of Materials Chemistry","2004","14","2","233","","10.1039/b311743j","","","0.71073","MoKα","","0.061","0.0382","","0.0922","0.0763","","","","1.009","1.061","1.061","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204754","13.178","0.008","30.108","0.017","14.691","0.009","90","","109.423","0.012","90","","5497","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H84 Cu3 N3 P6 Se6 -","- C36 H84 Cu3 N3 P6 Se6 -","- C144 H336 Cu12 N12 P24 Se24 -","4","1","","Afzaal, Mohammad; Crouch, David J.; O'Brien, Paul; Raftery, James; Skabara, Peter J.; White, Andrew J. P.; Williams, David J.","The synthesis, X-ray structures and CVD studies of some group 11 complexes of iminobis(diisopropylphosphine selenides) and their use in the deposition of I/III/VI photovoltaic materials","Journal of Materials Chemistry","2004","14","2","233","","10.1039/b311743j","","","0.71073","MoKα","","0.1082","0.0531","","","0.1016","0.1134","","","","","","0.74","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204755","18.2135","0.0011","19.0174","0.0011","22.9457","0.0013","67.153","0.001","67.873","0.001","62.286","0.001","6293.9","0.6","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C77 H133 Cd11 N10 O2 Te19 Zn5 -","- C77 Cd11 N10 O2 Te19 Zn5 -","- C154 Cd22 N20 O4 Te38 Zn10 -","2","1","","DeGroot, Marty W.; Taylor, Nicholas J.; Corrigan, John F.","Molecular nanocluster analogues of CdSe/ZnSe and CdTe/ZnTe core/shell nanoparticles","Journal of Materials Chemistry","2004","14","4","654","","10.1039/b312297b","","","0.71073","MoKα","","0.1304","0.0685","","","0.1199","0.1336","","","","","","1.13","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204756","17.3933","0.0014","36.592","0.003","46.151","0.004","90","","90","","90","","29373","4","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C86 H150 Cd11 N10 O5 Se19 Zn5 -","- C86 Cd11 N10 O5 Se19 Zn5 -","- C688 Cd88 N80 O40 Se152 Zn40 -","8","1","","DeGroot, Marty W.; Taylor, Nicholas J.; Corrigan, John F.","Molecular nanocluster analogues of CdSe/ZnSe and CdTe/ZnTe core/shell nanoparticles","Journal of Materials Chemistry","2004","14","4","654","","10.1039/b312297b","","","0.71073","MoKα","","0.1625","0.0927","","","0.2018","0.2183","","","","","","1.176","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204757","8.0312","0.0016","12.13","0.002","20.777","0.004","102.29","0.03","99.88","0.03","100.13","0.03","1900.3","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(EDT-TTF-I2)2, PbI3, H20","Bis(3,4-diiodo-3',4'-ethylenedithiotetrathiafulvalene), triiodolead(II), water","","- C8 H4 I3.5 O0.5 Pb0.5 S6 -","- C8 H4 I3.5 O0.5 Pb0.5 S6 -","- C32 H16 I14 O2 Pb2 S24 -","4","2","","Devic, Thomas; Canadell, Enric; Auban-Senzier, Pascale; Batail, Patrick","(EDT-TTF-I2)2PbI3�H2O: an ambient pressure metal with a ?? donor slab topologyElectronic supplementary information (ESI) available: indexed X-ray powder diagram and chemical analysis results for [(C2H5)4N]PbI3. See http://www.rsc.org/suppdata/jm/b3/b312493b/","Journal of Materials Chemistry","2004","14","2","135","","10.1039/b312493b","","","0.71073","MoKα","","0.0496","0.0332","","","0.0765","0.0807","","","","","","0.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204758","20.796","0.002","9.7845","0.0011","25.62","0.003","90","","102.013","0.013","90","","5099","1","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H84 N4 Nb2 O12 Sr -","- C34 H84 N4 Nb2 O12 Sr -","- C136 H336 N16 Nb8 O48 Sr4 -","4","1","","Jones, Anthony C.; Tobin, Neil L.; Marshall, Paul A.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Davies, Hywel O.; Smith, Lesley M.; Critchlow, Gary W.","Synthesis and characterisation of four new heterometal alkoxides: potential precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2004","14","5","887","","10.1039/b312697h","","","0.71073","MoKα","","0.1507","0.0594","","","0.1213","0.1356","","","","","","0.847","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204759","14.997","0.0019","16.743","0.003","19.587","0.002","90","","90","","90","","4918.2","1.2","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H82 N2 Nb2 O14 Sr -","- C32 H82 N2 Nb2 O14 Sr -","- C128 H328 N8 Nb8 O56 Sr4 -","4","0.5","","Jones, Anthony C.; Tobin, Neil L.; Marshall, Paul A.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Davies, Hywel O.; Smith, Lesley M.; Critchlow, Gary W.","Synthesis and characterisation of four new heterometal alkoxides: potential precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2004","14","5","887","","10.1039/b312697h","","","0.71073","MoKα","","0.119","0.0503","","","0.1088","0.1276","","","","","","0.743","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204760","11.7669","0.0012","15.9611","0.0015","16.197","0.0016","61.296","0.002","81.524","0.002","78.748","0.002","2611.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H90 N2 O12 Sr Ta2 -","- C38 H90 N2 O12 Sr Ta2 -","- C76 H180 N4 O24 Sr2 Ta4 -","2","1","","Jones, Anthony C.; Tobin, Neil L.; Marshall, Paul A.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Davies, Hywel O.; Smith, Lesley M.; Critchlow, Gary W.","Synthesis and characterisation of four new heterometal alkoxides: potential precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2004","14","5","887","","10.1039/b312697h","","","0.71073","MoKα","","0.0507","0.047","","","0.1278","0.133","","","","","","1.026","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204761","19.764","0.009","8.877","0.004","15.763","0.007","90","","117.617","0.007","90","","2450.5","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Wang, Zhong-Xia; Qin, Hua-Li","Solventless syntheses of pyrazole derivativesElectronic supplementary information (ESI) available: analytical and spectroscopic data. See http://www.rsc.org/suppdata/gc/b3/b312833d/","Green Chemistry","2004","6","2","90","","10.1039/b312833d","","","0.71073","MoKα","","0.0844","0.0518","","","0.1276","0.1482","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204762","14.973","0.002","9.9024","0.0016","20.581","0.003","90","","109.379","0.002","90","","2878.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N2 Pb S4 -","- C26 H44 N2 Pb S4 -","- C104 H176 N8 Pb4 S16 -","4","1","","Afzaal, Mohammad; Ellwood, Katie; Pickett, Nigel L.; O'Brien, Paul; Raftery, Jim; Waters, John","Growth of lead chalcogenide thin films using single-source precursors","Journal of Materials Chemistry","2004","14","8","1310","","10.1039/b313063k","","","0.71073","MoKα","","0.0264","0.0243","","","0.0558","0.0569","","","","","","1.055","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204763","15.4819","0.0014","9.9772","0.0009","36.422","0.003","90","","97.51","0.002","90","","5577.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 N4 Pb2 S8 -","- C44 H88 N4 Pb2 S8 -","- C176 H352 N16 Pb8 S32 -","4","1","","Afzaal, Mohammad; Ellwood, Katie; Pickett, Nigel L.; O'Brien, Paul; Raftery, Jim; Waters, John","Growth of lead chalcogenide thin films using single-source precursors","Journal of Materials Chemistry","2004","14","8","1310","","10.1039/b313063k","","","0.71073","MoKα","","0.0902","0.066","","","0.1448","0.1545","","","","","","1.121","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204764","12.667","0.006","4.874","0.005","22.85","0.01","90","","103.26","0.03","90","","1373.1","1.7","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 S3 -","- C13 H11 N O2 S3 -","- C52 H44 N4 O8 S12 -","4","1","","Bruno Jousselme; Philippe Blanchard; Maïtena Oçafrain; Magali Allain; Eric Levillain; Jean Roncali","Electrogenerated poly(thiophenes) derivatized by bipyridine ligands and metal complexes","J. Mater. Chem.","2004","14","3","421","427","10.1039/b313291a","","","0.71073","Mo-Kα","","0.133","0.043","","0.097","","0.057","","","1.625","","","1.051","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204765","11.679","0.007","7.704","0.002","16.835","0.004","90","","93.35","0.04","90","","1512.1","1.1","294","","294","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H24 N2 O4 S6 -","- C32 H24 N2 O4 S6 -","- C64 H48 N4 O8 S12 -","2","0.5","","Bruno Jousselme; Philippe Blanchard; Maïtena Oçafrain; Magali Allain; Eric Levillain; Jean Roncali","Electrogenerated poly(thiophenes) derivatized by bipyridine ligands and metal complexes","J. Mater. Chem.","2004","14","3","421","427","10.1039/b313291a","","","0.71073","Mo-Kα","","0.076","0.04","","0.072","0.056","","","","1.431","1.179","1.179","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204766","7.198","0.005","12.957","0.005","18.653","0.007","90","","111.69","0.03","90","","1616.5","1.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.058","","","","0.059","","","","","","1.49","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204767","10.596","0.005","9.766","0.004","35.351","0.011","90","","94.96","0.02","90","","3644","3","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C160 H224 O32 -","8","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","1.54184","CuKα","","","0.098","","","","0.159","","","","","","2.26","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204768","6.89","0.003","13.261","0.002","18.879","0.007","90","","102.58","0.02","90","","1683.5","1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.08","","","","0.116","","","","","","1.82","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204769","6.0939","0.0013","7.5286","0.0015","12.491","0.003","85.554","0.006","86.479","0.006","84.095","0.006","567.5","0.2","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","Tolan Perfluorotolan 1:1 molecular complex","","- C28 H10 F10 -","- C28 H10 F10 -","- C28 H10 F10 -","1","0.5","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolansArene?perfluoroarene interactions in crystal engineering. Part 9. Presented in part at the 16th International Symposium on Fluorine Chemistry, University of Durham, 2000. Abstract 1P-102. For part 8 see ref. 1.Electronic supplementary information (ESI) available: spectroscopic characterisation for 4b?k; plots of energy as a function of inter-ring torsion angle in 1,2,3,4,5-pentafluorotolan and as a function of C(Ph)?C(Ph)?O?C(Me) torsion angle in PhOMe. See http://www.rsc.org/suppdata/jm/b3/b314094f/","Journal of Materials Chemistry","2004","14","3","413","","10.1039/b314094f","","","0.71073","MoKα","","0.0961","0.0675","","0.1782","","0.164","","","0.947","","","1.128","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204770","6.1305","0.001","7.2444","0.0012","12.754","0.002","85.229","0.004","84.793","0.004","85.766","0.004","560.88","0.16","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","1-(pentafluorophenyl)-2-phenylacetylene","","- C14 H5 F5 -","- C14 H5 F5 -","- C28 H10 F10 -","2","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolansArene?perfluoroarene interactions in crystal engineering. Part 9. Presented in part at the 16th International Symposium on Fluorine Chemistry, University of Durham, 2000. Abstract 1P-102. For part 8 see ref. 1.Electronic supplementary information (ESI) available: spectroscopic characterisation for 4b?k; plots of energy as a function of inter-ring torsion angle in 1,2,3,4,5-pentafluorotolan and as a function of C(Ph)?C(Ph)?O?C(Me) torsion angle in PhOMe. See http://www.rsc.org/suppdata/jm/b3/b314094f/","Journal of Materials Chemistry","2004","14","3","413","","10.1039/b314094f","","","0.71073","MoKα","","0.0971","0.0623","","0.1767","","0.1584","","","1.059","","","1.213","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204771","7.413","0.002","12.941","0.005","12.868","0.005","90","","100.85","0.02","90","","1212.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-methoxytetrafluorophenyl)-2-phenylacetylene","","- C15 H8 F4 O -","- C15 H8 F4 O -","- C60 H32 F16 O4 -","4","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolansArene?perfluoroarene interactions in crystal engineering. Part 9. Presented in part at the 16th International Symposium on Fluorine Chemistry, University of Durham, 2000. Abstract 1P-102. For part 8 see ref. 1.Electronic supplementary information (ESI) available: spectroscopic characterisation for 4b?k; plots of energy as a function of inter-ring torsion angle in 1,2,3,4,5-pentafluorotolan and as a function of C(Ph)?C(Ph)?O?C(Me) torsion angle in PhOMe. See http://www.rsc.org/suppdata/jm/b3/b314094f/","Journal of Materials Chemistry","2004","14","3","413","","10.1039/b314094f","","","1.54178","CuKα","","0.0596","0.0542","","","0.143","0.1488","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204772","7.752","0.002","8.652","0.002","11.119","0.003","98.57","0.01","108.81","0.01","92.06","0.01","695.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(4-n-propoxytetrafluorophenyl)-2-phenylacetylene","","- C17 H12 F4 O -","- C17 H12 F4 O -","- C34 H24 F8 O2 -","2","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolansArene?perfluoroarene interactions in crystal engineering. Part 9. Presented in part at the 16th International Symposium on Fluorine Chemistry, University of Durham, 2000. Abstract 1P-102. For part 8 see ref. 1.Electronic supplementary information (ESI) available: spectroscopic characterisation for 4b?k; plots of energy as a function of inter-ring torsion angle in 1,2,3,4,5-pentafluorotolan and as a function of C(Ph)?C(Ph)?O?C(Me) torsion angle in PhOMe. See http://www.rsc.org/suppdata/jm/b3/b314094f/","Journal of Materials Chemistry","2004","14","3","413","","10.1039/b314094f","","","0.71073","MoKα","","0.0448","0.0403","","","0.1101","0.1154","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204773","6.1278","0.0015","15.444","0.004","15.382","0.003","90","","97.35","0.02","90","","1443.8","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-iso-propoxytetrafluorophenyl)-2-phenylacetylene","","- C17 H12 F4 O -","- C17 H12 F4 O -","- C68 H48 F16 O4 -","4","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolansArene?perfluoroarene interactions in crystal engineering. Part 9. Presented in part at the 16th International Symposium on Fluorine Chemistry, University of Durham, 2000. Abstract 1P-102. For part 8 see ref. 1.Electronic supplementary information (ESI) available: spectroscopic characterisation for 4b?k; plots of energy as a function of inter-ring torsion angle in 1,2,3,4,5-pentafluorotolan and as a function of C(Ph)?C(Ph)?O?C(Me) torsion angle in PhOMe. See http://www.rsc.org/suppdata/jm/b3/b314094f/","Journal of Materials Chemistry","2004","14","3","413","","10.1039/b314094f","","","1.54178","CuKα","","0.0503","0.0415","","","0.1219","0.1303","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204774","8.514","0.001","10.454","0.002","10.6","0.002","63.225","0.002","76.621","0.003","85.017","0.003","819.3","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(4-n-pentoxytetrafluorophenyl)-2-phenylacetylene","","- C19 H16 F4 O -","- C19 H16 F4 O -","- C38 H32 F8 O2 -","2","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolansArene?perfluoroarene interactions in crystal engineering. Part 9. Presented in part at the 16th International Symposium on Fluorine Chemistry, University of Durham, 2000. Abstract 1P-102. For part 8 see ref. 1.Electronic supplementary information (ESI) available: spectroscopic characterisation for 4b?k; plots of energy as a function of inter-ring torsion angle in 1,2,3,4,5-pentafluorotolan and as a function of C(Ph)?C(Ph)?O?C(Me) torsion angle in PhOMe. See http://www.rsc.org/suppdata/jm/b3/b314094f/","Journal of Materials Chemistry","2004","14","3","413","","10.1039/b314094f","","","0.71073","MoKα","","0.0627","0.0468","","","0.1155","0.1275","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204775","7.918","0.002","5.777","0.002","35.872","0.009","90","","94.32","0.01","90","","1636.2","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-tolyloxytetrafluorophenyl)-2-phenylacetylene","","- C21 H12 F4 O -","- C21 H12 F4 O -","- C84 H48 F16 O4 -","4","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolansArene?perfluoroarene interactions in crystal engineering. Part 9. Presented in part at the 16th International Symposium on Fluorine Chemistry, University of Durham, 2000. Abstract 1P-102. For part 8 see ref. 1.Electronic supplementary information (ESI) available: spectroscopic characterisation for 4b?k; plots of energy as a function of inter-ring torsion angle in 1,2,3,4,5-pentafluorotolan and as a function of C(Ph)?C(Ph)?O?C(Me) torsion angle in PhOMe. See http://www.rsc.org/suppdata/jm/b3/b314094f/","Journal of Materials Chemistry","2004","14","3","413","","10.1039/b314094f","","","0.71073","MoKα","","0.0467","0.0399","","","0.0934","0.099","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204777","8.7846","0.0001","12.3272","0.0002","13.4594","0.0002","70.08","0.001","76.153","0.001","83.096","0.001","1329.29","0.03","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione cyclopentanone solvate (1:1)","","- C35 H26 F2 O3 -","- C35 H26 F2 O3 -","- C70 H52 F4 O6 -","2","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0674","0.0481","","","0.1281","0.1395","","","","","","1.06","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204778","9.0486","0.0001","19.3364","0.0002","14.4056","0.0002","90","","95.365","0.001","90","","2509.47","0.05","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione dichloromethane solvate (1:1)","","- C31 H20 Cl2 F2 O2 -","- C31 H20 Cl2 F2 O2 -","- C124 H80 Cl8 F8 O8 -","4","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0741","0.0429","","","0.0967","0.1086","","","","","","1.022","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204779","12.8638","0.0002","15.8214","0.0002","16.1334","0.0002","88.14","0.001","88.037","0.001","84.747","0.001","3266.4","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C180 H108 F12 O12 -","6","3","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0922","0.069","","","0.1949","0.2069","","","","","","1.121","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204780","16.466","0.0001","16.466","0.0001","7.7375","0.0001","90","","90","","120","","1816.8","0.03","296","2","296","2","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- C36 H42 Eu2 O12 -","- C36 H42 Eu2 O12 -","- C72 H84 Eu4 O24 -","2","0.166667","","Franck Millange; Christian Serre; Jérôme Marrot; Nicole Gardant; Fabienne Pellé; Gérard Férey","Synthesis, structure and properties of a three-dimensional porous rare-earth carboxylate MIL-83(Eu): Eu2(O2C-C10H14-CO2)3","J. Mater. Chem.","2004","14","4","642","645","10.1039/b314343k","","","0.71073","MoKα","","0.092","0.0727","","","0.1919","0.2153","","","","","","1.125","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204781","6.6032","0.0012","16.986","0.003","20.412","0.004","90","","94.845","0.003","90","","2281.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H24 N4 Nd2 O22 S5 -","- C4 H24 N4 Nd2 O22 S5 -","- C16 H96 N16 Nd8 O88 S20 -","4","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0418","0.035","","0.072","0.0696","","","","1.115","1.146","1.146","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204782","6.621","0.0004","11.7941","0.0006","12.2064","0.0007","90.846","0.001","100.577","0.001","102.446","0.001","913.5","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H16 N2 Nd2 O18 S4 -","- C4 H16 N2 Nd2 O18 S4 -","- C8 H32 N4 Nd4 O36 S8 -","2","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0345","0.0283","","0.0679","0.066","","","","0.976","1.037","1.037","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204783","5.4823","0.0001","7.2328","0.0003","9.7943","0.0004","87.165","0.002","83.125","0.002","80.269","0.002","379.86","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C H5 N Nd O8 S2 -","- C H5 N Nd O8 S2 -","- C2 H10 N2 Nd2 O16 S4 -","2","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0312","0.029","","0.0765","0.075","","","","1.071","1.103","1.103","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204784","11.1008","0.0007","7.3085","0.0005","20.1323","0.0013","90","","91.829","0.001","90","","1632.51","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 La2 N2 O16 S4 -","- C3 H12 La2 N2 O16 S4 -","- C12 H48 La8 N8 O64 S16 -","4","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0301","0.0239","","0.0666","0.0643","","","","1.082","1.167","1.167","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204785","25.506","0.005","10.102","0.002","13.415","0.003","90","","90","","90","","3456.5","1.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H24 N3 Nd O13.5 S2.5 -","- C7 H24 N3 Nd O13.5 S2.5 -","- C56 H192 N24 Nd8 O108 S20 -","8","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0536","0.0469","","0.0932","0.0913","","","","1.287","1.328","1.328","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204786","9.486","0.005","11.381","0.005","23.904","0.005","94.779","0.005","101.094","0.005","91.342","0.005","2521.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Ag3 Cr3 N9 O27 -","- C42 H27 Ag3 Cr3 N9 O27 -","- C84 H54 Ag6 Cr6 N18 O54 -","2","1","","Consuelo Yuste Vivas; Fernando S. Delgado; Catalina Ruiz-Pérez; Miguel Julve","Preparation and crystal structure of the oxalato-bridged CrIII‒AgI two-dimensional compound {Ag3(H2O)[Cr(dpa)(ox)2]3}n·2nH2O (dpa = 2,2'-dipyridylamine)","CrystEngComm","2004","6","4","11","18","10.1039/b314686c","","","0.71069","MoKα","","0.0672","0.046","","","0.1147","0.1267","","","","","","1.102","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204787","12.8276","0.0007","7.4062","0.0004","11.4938","0.0003","90","","100.662","0.005","90","","1073.1","0.09","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Yttrium Iron Molybdenum Oxide","Yttrium Iron Molybdenum Oxide","","- Fe Mo O7 Y2 -","- Fe1.005 Mo0.995 O7 Y2 -","- Fe8.04 Mo7.96 O56 Y16 -","8","1","","Veith, Gabriel M.; Lobanov, Maxim V.; Emge, Thomas J.; Greenblatt, Martha; Croft, Mark; Stowasser, Frank; Hadermann, Joke; Tendeloo, Gustaaf Van","Synthesis and characterization of the new Ln2FeMoO7 (Ln = Y, Dy, Ho) compounds","Journal of Materials Chemistry","2004","14","10","1623","","10.1039/b315028c","powder diffraction","","","CuKα","","","","","","","","","","1.77","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204788","7.4117","0.0002","7.4117","","16.9197","0.0006","90","","90","","120","","804.93","0.04","","","293","","","","","","","","","4","R -3 :H","-R 3","148","Holmium Iron Molybdenum Oxide","Holmium Iron Molybdenum Oxide","","- Fe Ho2 Mo O7 -","- Fe Ho2 Mo O7 -","- Fe6 Ho12 Mo6 O42 -","6","0.333333","","Veith, Gabriel M.; Lobanov, Maxim V.; Emge, Thomas J.; Greenblatt, Martha; Croft, Mark; Stowasser, Frank; Hadermann, Joke; Tendeloo, Gustaaf Van","Synthesis and characterization of the new Ln2FeMoO7 (Ln = Y, Dy, Ho) compounds","Journal of Materials Chemistry","2004","14","10","1623","","10.1039/b315028c","powder diffraction","","","CuKα","","","","","","","","","","1.31","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204789","7.4361","0.0001","7.4361","","16.9464","0.0003","90","","90","","120","","811.519","0.018","","","293","","","","","","","","","4","R -3 :H","-R 3","148","Dysprosium Iron Molybdenum Oxide","Dysprosium Iron Molybdenum Oxide","","- Dy2 Fe Mo O7 -","- Dy2 Fe Mo O7 -","- Dy12 Fe6 Mo6 O42 -","6","0.333333","","Veith, Gabriel M.; Lobanov, Maxim V.; Emge, Thomas J.; Greenblatt, Martha; Croft, Mark; Stowasser, Frank; Hadermann, Joke; Tendeloo, Gustaaf Van","Synthesis and characterization of the new Ln2FeMoO7 (Ln = Y, Dy, Ho) compounds","Journal of Materials Chemistry","2004","14","10","1623","","10.1039/b315028c","powder diffraction","","1.54056","CuK\α~1~","","","","","","","","","","1.18","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204790","9.4389","0.0011","18.206","0.002","19.514","0.002","90","","94.385","0.002","90","","3343.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Bi F15 N2 O S3 -","- C32 H16 Bi F15 N2 O S3 -","- C128 H64 Bi4 F60 N8 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0536","0.0293","","","0.0533","0.0584","","","","","","0.945","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204791","8.968","0.002","16.616","0.004","24.746","0.007","90","","97.14","0.02","90","","3658.9","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 Bi F15 N3 O S3 -","- C33 H19 Bi F15 N3 O S3 -","- C132 H76 Bi4 F60 N12 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.1091","0.0462","","","0.073","0.0873","","","","","","0.937","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204792","9.0368","0.0012","13.0086","0.0016","18.53","0.002","76.225","0.011","82.026","0.013","72.273","0.013","2010","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Bi F15 N2 O2 S3 -","- C38 H26 Bi F15 N2 O2 S3 -","- C76 H52 Bi2 F30 N4 O4 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.048","0.0328","","","0.0795","0.0869","","","","","","1.091","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204793","7.5887","0.0018","14.181","0.006","17.931","0.005","73.275","0.013","78.66","0.02","75.19","0.02","1770.8","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0894","0.057","","","0.1313","0.1461","","","","","","1.002","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204794","9.034","0.004","11.372","0.007","17.894","0.006","75.17","0.03","84.39","0.03","86.23","0.04","1767","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0649","0.0374","","","0.0677","0.0742","","","","","","0.933","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204795","7.0051","0.0005","8.6187","0.0007","18.5866","0.0015","101.186","0.002","97.114","0.002","101.401","0.002","1063.66","0.14","203","2","203","2","","","","","","","","4","P -1","-P 1","2","2-(4-(dimethylamino)phenylazo)benzoic acid, 3,5- dinitrobenzoic acid","2-[4-(dimethylamino)phenylazo]benzoic acid, 3,5-dinitrobenzoic acid","","- C22 H19 N5 O8 -","- C22 H19 N5 O8 -","- C44 H38 N10 O16 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0835","0.0471","","","0.1117","0.1278","","","","","","0.891","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204796","5.9827","0.0004","9.1713","0.0008","12.1893","0.0008","84.149","0.005","77.407","0.006","74.927","0.005","629.54","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","3-nitrobenzoic acid, isonicotinamide","3-nitrobenzoic acid, isonicotinamide","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1089","0.0464","","","0.091","0.1036","","","","","","0.787","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204797","22.725","0.013","5.231","0.003","20.785","0.012","90","","95.402","0.011","90","","2460","2","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","isonicotinamide, 4-fluorobenzoic acid","isonicotinamide, 4-fluorobenzoic acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C104 H88 F8 N16 O24 -","8","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1392","0.0604","","","0.1269","0.1624","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204798","8.0266","0.0014","8.5974","0.0016","12.514","0.002","84.563","0.003","89.934","0.004","75.345","0.003","831.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","","- C16 H16 N4 O7 -","- C16 H16 N4 O7 -","- C32 H32 N8 O14 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1191","0.0519","","","0.1092","0.1297","","","","","","0.81","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204799","7.1538","0.0013","7.9978","0.0015","14.315","0.003","91.111","0.003","91.483","0.004","111.582","0.003","761","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C32 H32 N4 O12 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0808","0.0412","","","0.0999","0.115","","","","","","0.859","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204800","7.6155","0.0007","7.698","0.0009","21.587","0.002","95.59","0.008","94.719","0.007","90.268","0.008","1255.1","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","pyrazinecarboxamide, 4-nitrobenzamide","pyrazinecarboxamide, 4-nitrobenzamide","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C48 H44 N20 O16 -","4","2","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.2052","0.0569","","","0.1127","0.1514","","","","","","0.777","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204801","27.15","0.02","14.785","0.012","31.326","0.017","90","","91.02","0.05","90","","12573","15","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H80 O4 -","- C78 H80 O4 -","- C624 H640 O32 -","8","1","","Makha, Mohamed; Raston, Colin L.; Skelton, Brian W.; White, Allan H.","A more benign approach to the synthesis of calixarenes","Green Chemistry","2004","6","3","158","","10.1039/b315204a","","","0.71073","MoKα","","0.144","0.072","","0.098","","0.144","","","1.34","","","1.15","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204802","9.93931","0.00013","9.93931","","7.28485","0.0001","90","","90","","120","","623.252","0.012","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ge La1.6 O4.45 -","- Ge La1.6 O4.4472 -","- Ge6 La9.6 O26.6832 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","x-ray","0.400269","","","","","","","","","0.04954","","66.75","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204803","9.76655","0.00018","9.76655","","7.20962","0.00014","90","","90","","120","","595.56","0.016","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.59 O4.38 Si -","- La1.59133 O4.37667 Si -","- La9.548 O26.26 Si6 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","neutron","1.88604","","","","","","","","","0.05287","","","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204804","9.72566","0.00004","9.72566","","7.18636","0.00004","90","","90","","120","","588.678","0.004","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.59 O4.36 Si -","- La1.59133 O4.36133 Si -","- La9.548 O26.168 Si6 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","","1.5406","Kα~1~","","","","","","","","0.03241","","91.35","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204805","10.00745","0.00028","10.00745","","7.33341","0.00022","90","","90","","120","","636.04","0.03","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ge La1.6 O4.41 -","- Ge La1.6 O4.409 -","- Ge6 La9.6 O26.454 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","neutron","1.88604","","","","","","","","","0.41286","","2.42","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204806","9.9658","0.00019","9.9658","","7.3116","0.00016","90","","90","","120","","628.879","0.018","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ge La1.6 O4.43 -","- Ge La1.6 O4.42833 -","- Ge6 La9.6 O26.57 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","","","","","","","","","","","","","2.09","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204807","3.62266","","3.62266","","3.62266","","90","","90","","90","","47.543","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Fe -","- Fe -","- Fe4 -","4","0.0208333","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204808","9.80882","0.0002","9.80882","","7.23353","0.00016","90","","90","","120","","602.718","0.018","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.59 O4.37 Si -","- La1.59133 O4.37367 Si -","- La9.548 O26.242 Si6 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","neutron","1.88604","","","","","","","","","0.04755","","1.99","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204809","10.375","0.002","12.404","0.003","22.1","0.004","90","","90.46","0.03","90","","2844","1","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0755","0.0492","","","0.1189","0.1333","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204810","22.524","0.003","22.524","0.003","16.721","0.003","90","","90","","90","","8483","2","293","2","293","2","","","","","","","","4","I -4","I -4","82","none","","","- C53 H49 N3 O2 -","- C53 H49 N3 O2 -","- C424 H392 N24 O16 -","8","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0859","0.0555","","","0.1419","0.1568","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204811","11.248","0.011","13.72","0.03","17.3","0.02","71.56","0.15","83.08","0.11","68.62","0.15","2358","7","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Pb(dimb)(dmf)(NO3)2]","","- C18 H23 N7 O7 Pb -","- C18 H23 N7 O7 Pb -","- C72 H92 N28 O28 Pb4 -","4","2","","Sui, Bin; Zhao, Wei; Ma, Guohong; Okamura, Taka-aki; Fan, Jian; Li, Yi-Zhi; Tang, Sing-Hai; Sun, Wei-Yin; Ueyama, Norikazu","Novel Pb(ii) coordination frameworks: synthesis, crystal structures and unusual third-order nonlinear optical propertiesElectronic supplementary information (ESI) available: crystal packing diagram of complex 2. See http://www.rsc.org/suppdata/jm/b3/b315682f/","Journal of Materials Chemistry","2004","14","10","1631","","10.1039/b315682f","","","0.71075","MoKα","","0.0703","0.0397","","","0.0785","0.084","","","","","","0.866","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204812","11.968","0.002","10.0376","0.0018","16.579","0.003","90","","92.804","0.003","90","","1989.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Pb(dimb)(SCN)2]","","- C34 H32 N12 O0 Pb2 S4 -","- C34 H32 N12 Pb2 S4 -","- C68 H64 N24 Pb4 S8 -","2","0.5","","Sui, Bin; Zhao, Wei; Ma, Guohong; Okamura, Taka-aki; Fan, Jian; Li, Yi-Zhi; Tang, Sing-Hai; Sun, Wei-Yin; Ueyama, Norikazu","Novel Pb(ii) coordination frameworks: synthesis, crystal structures and unusual third-order nonlinear optical propertiesElectronic supplementary information (ESI) available: crystal packing diagram of complex 2. See http://www.rsc.org/suppdata/jm/b3/b315682f/","Journal of Materials Chemistry","2004","14","10","1631","","10.1039/b315682f","","","0.71073","MoKα","","0.0865","0.0438","","","0.0836","0.0909","","","","","","0.847","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204813","10.236","0.001","11.672","0.002","15.299","0.002","73.5","0.01","86.58","0.01","81.92","0.01","1734.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 N9 O7 Pb -","- C33 H34 N9 O7 Pb -","- C66 H68 N18 O14 Pb2 -","2","1","","Sui, Bin; Zhao, Wei; Ma, Guohong; Okamura, Taka-aki; Fan, Jian; Li, Yi-Zhi; Tang, Sing-Hai; Sun, Wei-Yin; Ueyama, Norikazu","Novel Pb(ii) coordination frameworks: synthesis, crystal structures and unusual third-order nonlinear optical propertiesElectronic supplementary information (ESI) available: crystal packing diagram of complex 2. See http://www.rsc.org/suppdata/jm/b3/b315682f/","Journal of Materials Chemistry","2004","14","10","1631","","10.1039/b315682f","","","0.71073","MoKα","","0.0725","0.0565","","","0.1446","0.1489","","","","","","1.043","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204814","3.42","0.006","3.42","","5.938","0.011","90","","90","","120","","60.15","0.15","293","","293","","","","","","","","","2","P -3 m 1","-P 3 2""","164","1T niobium disulfide","niobium disulfide","","- Nb S2 -","- Nb S2 -","- Nb S2 -","1","0.0833333","","Carmalt, Claire J.; Manning, Troy D.; Parkin, Ivan P.; Peters, Emily S.; Hector, Andrew L.","Formation of a new (1T) trigonal NbS2 polytype via atmospheric pressure chemical vapour depositionElectronic supplementary information (ESI) available: structure refinements of the NbS2 films and crystallographic data in CIF format. See http://www.rsc.org/suppdata/jm/b3/b315782m/","Journal of Materials Chemistry","2004","14","3","290","","10.1039/b315782m","powder diffraction","x-ray","1.2982","synchrotron","","","","","","","","0.36152","","1.38","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204815","35.283","0.004","35.283","0.004","12.499","0.001","90","","90","","120","","13475","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C38.5 H33.11 O4.06 -","- C38.51 H30 O4.05333 -","- C693.18 H540 O72.96 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0576","0.0421","","","0.1088","0.1153","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204816","35.329","0.004","35.329","0.004","12.437","0.001","90","","90","","120","","13443","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H33.39 O3.72 -","- C39.02 H30 O3.73 -","- C702.36 H540 O67.14 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0885","0.0492","","","0.099","0.1121","","","","","","0.969","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204817","35.346","0.003","35.346","0.003","12.568","0.001","90","","90","","120","","13598","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.33 H34 O3.56 -","- C39.2767 H30.4 O3.57 -","- C706.98 H547.2 O64.26 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0816","0.047","","","0.104","0.1184","","","","","","0.968","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204818","35.248","0.003","35.248","0.003","12.507","0.001","90","","90","","120","","13457.1","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.22 H34.5 O3.61 -","- C39.03 H30.45 O3.62 -","- C702.54 H548.1 O65.16 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0555","0.0438","","","0.1132","0.1191","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204819","35.267","0.003","35.267","0.003","12.53","0.001","90","","90","","120","","13496.4","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.39 H33.78 O3.22 -","- C39.4 H30 O3.2 -","- C709.2 H540 O57.6 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0921","0.0743","","","0.1241","0.1341","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204820","7.3564","0.0002","6.2253","0.0002","18.6804","0.0006","90","","97.946","0.001","90","","847.27","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","octafluoronaphthalene : biphenyl, 1:1 complex","","- C22 H10 F8 -","- C22 H10 F8 -","- C44 H20 F16 -","2","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.0539","0.0399","","","0.1046","0.114","","","","","","1.004","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204821","6.446","0.001","7.142","0.001","9.751","0.002","74.46","0.02","71.53","0.02","85.97","0.02","410.17","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","octafluoronaphthalene : biphenylene, 1:1 complex","","- C22 H8 F8 -","- C22 H8 F8 -","- C22 H8 F8 -","1","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.068","0.0488","","","0.1241","0.1394","","","","","","1.083","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204822","15.37","0.002","8.7969","0.0012","20.914","0.003","90","","99.398","0.002","90","","2789.8","0.7","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C52 H54 Cu F12 N4 O P2 S4 -","- C52 H54 Cu F12 N4 O P2 S4 -","- C104 H108 Cu2 F24 N8 O2 P4 S8 -","2","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0708","0.0519","","","0.1737","0.1846","","","","","","1.054","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204823","8.8849","0.0007","10.8557","0.0009","13.312","0.0011","91.398","0.002","103.569","0.002","92.897","0.002","1245.66","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","1","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0425","0.0317","","","0.0764","0.0823","","","","","","1.046","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204824","14.3809","0.0006","19.8714","0.0008","18.1471","0.0008","90","","103.481","0.002","90","","5043","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C192 H176 Cu4 F48 N16 P8 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0678","0.0407","","","0.0917","0.1079","","","","","","1.029","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204825","9.1712","0.0006","18.3898","0.0012","21.6441","0.0014","90","","90","","90","","3650.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 N2 S2 -","- C18 H18 Cl2 N2 S2 -","- C144 H144 Cl16 N16 S16 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0761","0.0629","","","0.1838","0.2014","","","","","","1.054","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204826","9.0907","0.0004","9.8349","0.0004","27.2937","0.0014","90","","90","","90","","2440.22","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C96 H96 Cl8 N8 O8 S8 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.1142","0.0649","","","0.1031","0.1168","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204827","13.5552","0.0019","5.6845","0.0008","15.508","0.002","90","","91.335","0.002","90","","1194.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C48 H48 Cl4 N4 O4 S4 -","4","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0416","0.0325","","","0.0873","0.0939","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204828","5.4266","0.0003","9.1466","0.0008","26.211","0.002","90","","92.904","0.005","90","","1299.31","0.17","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H39 N O4 -","- C29 H39 N O4 -","- C58 H78 N2 O8 -","2","1","","Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand","Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands","J. Mater. Chem.","2004","14","11","1722","1730","10.1039/b316731c","","","0.71073","MoKα","","0.1682","0.0823","","","0.1258","0.1522","","","","","","1.014","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204829","5.1776","0.0004","11.785","0.001","20.724","0.002","91.927","0.007","93.548","0.006","91.903","0.007","1260.61","0.19","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C56 H74 N2 O8 -","2","1","","Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand","Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands","J. Mater. Chem.","2004","14","11","1722","1730","10.1039/b316731c","","","0.71073","MoKα","","0.1717","0.0857","","","0.152","0.1576","","","","","","2.706","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204830","7.5241","0.0004","9.2447","0.0009","25.918","0.003","91.226","0.003","90.943","0.006","94.782","0.005","1795.8","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H98 Cl6 N2 O8 Pd -","- C70 H98 Cl6 N2 O8 Pd -","- C70 H98 Cl6 N2 O8 Pd -","1","0.5","","Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand","Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands","J. Mater. Chem.","2004","14","11","1722","1730","10.1039/b316731c","","","0.71069","MoKα","","0.1434","0.0618","","","0.121","0.1321","","","","","","0.759","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204831","17.485","0.003","9.5925","0.0014","19.611","0.003","90","","99.219","0.003","90","","3246.8","0.9","10","","10","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rhodium(ii) benzoate-pyrazine including O2","","","- C32 H24 N2 O8.98 Rh2 -","- C32 H24 N2 O8.996 Rh2 -","- C128 H96 N8 O35.984 Rh8 -","4","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo","Structural determination of a 1-D metal?organic framework with adsorbed oxygen molecules at 10 K: possibility of surface motion transfer of confined guest","CrystEngComm","2004","6","9","39","","10.1039/b316963d","","","0.71073","MoKα","","0.1041","0.0633","","","0.1394","0.1564","","","","","","0.991","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204832","10.891","0.003","13.357","0.003","14.642","0.003","84.15","0.02","74.79","0.02","77.36","0.02","2003.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis(phenanthroline)phenylphosphonic acid copper(ii) phenylphosphonate","bis(phenanthroline)phenylphosphonic acid copper(II) phenylphosphonate","","- C36 H42 Cu N4 O13 P2 -","- C36 H35 Cu N4 O13 P2 -","- C72 H70 Cu2 N8 O26 P4 -","2","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0646","0.0581","","","0.1521","0.1594","","","","","","1.054","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204833","33.209","0.006","10.097","0.002","27.247","0.002","90","","119.38","0.01","90","","7961","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(phenanthroline)benzylphosphonic acid copper(ii) benzylphosphonate","bis(phenanthroline)benzylphosphonic acid copper(II) benzylphosphonate","","- C38 H34 Cu N4 O11.5 P2 -","- C38 H37 Cu N4 O10 P2 -","- C304 H296 Cu8 N32 O80 P16 -","8","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0982","0.0616","","","0.1684","0.1948","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204834","7.58","0.001","8.003","0.002","11.652","0.002","88.6","0.02","74.12","0.02","68.84","0.02","631.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(2,6-dichlorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 Cl2 N2 O2 -","- C13 H7 Cl2 N2 O2 -","- C26 H14 Cl4 N4 O4 -","2","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1348","0.0503","","","0.0981","0.117","","","","","","0.899","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204835","11.803","0.002","7.833","0.001","23.664","0.002","90","","90","","90","","2187.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2,6-difluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 F2 N2 O2 -","- C13 H7 F2 N2 O2 -","- C104 H56 F16 N16 O16 -","8","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1986","0.0455","","","0.0552","0.071","","","","","","0.819","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204836","6.942","0.001","21.265","0.003","8.886","0.001","90","","121.3","0.02","90","","1120.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,6-difluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 F2 N2 O2 -","- C13 H7 F2 N2 O2 -","- C52 H28 F8 N8 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1253","0.0493","","","0.1079","0.1418","","","","","","0.977","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204837","10.37","0.002","15.787","0.003","7.79","0.001","90","","109.68","0.03","90","","1200.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-chloro,6-fluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 Cl F N2 O2 -","- C13 H7 Cl F N2 O2 -","- C52 H28 Cl4 F4 N8 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1158","0.0898","","","0.2183","0.232","","","","","","1.075","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204838","7.396","0.001","20.665","0.003","8.18","0.001","90","","105.38","0.02","90","","1205.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-chloro,6-fluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 Cl F N2 O2 -","- C13 H7 Cl F N2 O2 -","- C52 H28 Cl4 F4 N8 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1885","0.0608","","","0.134","0.1675","","","","","","0.848","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204839","8.47","0.001","12.701","0.002","12.44","0.002","90","","93.79","0.02","90","","1335.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,3,6-trichlorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H6 Cl3 N2 O2 -","- C13 H6 Cl3 N2 O2 -","- C52 H24 Cl12 N8 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.109","0.0401","","","0.0887","0.1055","","","","","","0.825","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204840","22.536","0.005","7.868","0.002","13.76","0.002","90","","100.69","0.02","90","","2397.5","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2,3,4,5,6-pentafluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H4 F5 N2 O2 -","- C13 H4 F5 N2 O2 -","- C104 H32 F40 N16 O16 -","8","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1275","0.0422","","","0.086","0.1027","","","","","","0.814","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204841","13.722","0.001","7.138","0.002","13.316","0.001","90","","118.23","0.02","90","","1149.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-cyanophenyl)benzimidazolyl-N,N'-dioxide","","- C14 H8 N3 O2 -","- C14 H8 N3 O2 -","- C56 H32 N12 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1133","0.0453","","","0.102","0.1425","","","","","","0.926","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204842","7.791","0.0016","11.819","0.002","15.064","0.003","96.69","0.03","98.74","0.03","104.21","0.03","1311.8","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 Br2 S7 -","- C20 H26 Br2 S7 -","- C40 H52 Br4 S14 -","2","1","","Peter J. Skabara; Rory Berridge; Eric J. L. McInnes; David P. West; Simon J. Coles; Michael B. Hursthouse; Klaus Müllen","The electroactivity of tetrathiafulvalene vs. polythiophene: synthesis and characterisation of a fused thieno‒TTF polymer","J. Mater. Chem.","2004","14","13","1964","1969","10.1039/b400809j","","","0.71073","MoKα","","0.0595","0.043","","","0.1149","0.1308","","","","","","0.86","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204843","14.166","0.0002","17.3175","0.0004","19.5311","0.0003","90","","105.037","0.001","90","","4627.3","0.15","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H76 Hf O8 -","- C44 H76 Hf O8 -","- C176 H304 Hf4 O32 -","4","0.5","","Pasko, Sergej V.; Hubert-Pfalzgraf, Liliane G.; Abrutis, Adulfas; Richard, Philippe; Bartasyte, Ausrine; Kazlauskiene, Vida","New sterically hindered Hf, Zr and Y ?-diketonates as MOCVD precursors for oxide films","Journal of Materials Chemistry","2004","14","8","1245","","10.1039/b401052c","","","0.71073","MoKα","","0.034","0.0297","","","0.0725","0.0748","","","","","","1.089","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204844","7.381","0.0005","14.5798","0.001","8.6905","0.0006","90","","103.661","0.001","90","","908.76","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(ethylpyridinium) tetrachlorocobaltate(ii)","Bis(ethylpyridinium) tetrachlorocobaltate(II)","","- C14 H20 Cl4 Co N2 -","- C14 H20 Cl4 Co N2 -","- C28 H40 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0403","0.0364","","","0.0855","0.087","","","","","","0.982","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204845","7.5802","0.0006","7.9849","0.0007","12.4508","0.0011","89.026","0.002","83.51","0.002","79.833","0.002","737.02","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Bis(pyridinium) tetrachlorocobaltate(ii)","Bis(pyridinium) tetrachlorocobaltate(II)","","- C10 H12 Cl4 Co N2 -","- C10 H12 Cl4 Co N2 -","- C20 H24 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0522","0.0333","","","0.0686","0.0724","","","","","","0.895","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204846","14.62","0.003","16.079","0.004","16.193","0.004","78.201","0.004","80.798","0.004","76.345","0.004","3595.8","1.5","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","1","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.0581","0.0506","","","0.1384","0.146","","","","","","1.038","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204847","14.332","0.005","15.179","0.005","16.165","0.005","79.406","0.005","69.285","0.006","74.921","0.006","3159.6","1.8","78","2","78","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H80 N5 Ni O10 -","- C70 H78 N5 Ni O10 -","- C140 H156 N10 Ni2 O20 -","2","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.1111","0.0694","","","0.188","0.2173","","","","","","1.05","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204848","10.7999","0.0006","11.3654","0.0006","11.8496","0.0006","116.093","0.001","92.31","0.001","106.55","0.001","1228.74","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H26 B2 Cu F8 N10 O5 -","- C13 H26 B2 Cu F8 N10 O5 -","- C26 H52 B4 Cu2 F16 N20 O10 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.0626","0.0563","","","0.1562","0.1622","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204849","7.182","0.002","12.055","0.003","16.888","0.004","95.19","0.005","99.573","0.004","101.294","0.005","1402.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(CuLm).2(BF4).2(Cytosine)","","","- C16 H28 B2 Cu F8 N14 O4 -","- C16 H28 B2 Cu F8 N14 O4 -","- C32 H56 B4 Cu2 F16 N28 O8 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.1275","0.0564","","","0.1008","0.12","","","","","","0.861","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204850","3.9004","0.0008","8.7632","0.0018","16.508","0.003","105.33","0.03","90.09","0.03","100.97","0.03","533.4","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","dichloroanthracene","dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C28 H16 Cl4 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","1.5418","CuKα","","0.0786","0.0636","","","0.1557","0.1713","","","","","","1.001","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204851","3.8629","0.0009","8.743","0.002","16.515","0.004","105.203","0.004","90.179","0.005","100.495","0.005","528.5","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","dichloroanthracene:dibromoanthracene","dichloroanthracene:dibromoanthracene","","- C14 H8 Br0.5 Cl1.5 -","- C14 H8 Br0.4972 Cl1.5028 -","- C28 H16 Br0.9944 Cl3.0056 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","0.71073","MoKα","","0.0418","0.0318","","","0.0796","0.0834","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204852","10.4381","0.0004","9.0183","0.0003","48.0553","0.0016","90","","90","","90","","4523.6","0.3","140","2","140","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C216 H120 Cl24 O24 -","8","2","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.1046","0.0816","","","0.1647","0.174","","","","","","1.089","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204853","8.6385","0.0002","11.1276","0.0003","12.4701","0.0003","95.955","0.002","97.735","0.002","106.98","0.002","1122.99","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C54 H30 Cl6 O6 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.0778","0.0466","","","0.1307","0.147","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204854","8.5848","0.0006","9.1884","0.0006","11.9256","0.0008","102.997","0.002","94.614","0.002","115.952","0.002","806.81","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H18 N3 Ni O10 P3 Zn2 -","- C4 H14 N3 Ni O10 P3 Zn2 -","- C8 H28 N6 Ni2 O20 P6 Zn4 -","2","1","","Lin, Zhi-En; Zhang, Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Synthesis and characterization of a novel open-framework nickel?zinc phosphite with intersecting three-dimensional 16-ring channels","Journal of Materials Chemistry","2004","14","10","1652","","10.1039/b402321h","","","0.71073","MoKα","","","0.0381","","","0.1028","0.106","","","","","","1.15","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204855","7.5132","0.0003","8.3575","0.0004","13.9439","0.0006","106.836","0.002","95.865","0.002","94.138","0.002","828.87","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Ag N3 O4 -","- C18 H16 Ag N3 O4 -","- C36 H32 Ag2 N6 O8 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.034","0.0307","","","0.0821","0.0838","","","","","","1.104","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204856","9.0541","0.0002","9.3447","0.0003","9.7248","0.0003","81.711","0.001","70.102","0.001","64.45","0.001","698.01","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2,6-bis(3-pyridilmethylidene)cyclohexan","2,6-bis(3-pyridilmethylidene)cyclohexan","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.0582","0.0485","","","0.1322","0.1378","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204857","14.059","0.003","14.27","0.003","27.053","0.005","88.27","0.03","86.65","0.03","86.02","0.03","5403.2","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C121 H74 Cl2 Mo12 O40 P -","- C121 H74 Cl2 Mo12 O40 P -","- C242 H148 Cl4 Mo24 O80 P2 -","2","1","","Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García; Eugenia Martínez-Ferrero; Manuel Almeida; Elsa B. Lopes; Silvia C. Capelli; Rosa M. Llusar","New conducting radical salts based upon Keggin-type polyoxometalates and perylene","J. Mater. Chem.","2004","14","12","1867","1872","10.1039/b402630f","","","0.7","synchrotron","","0.0928","0.0733","","","0.1822","0.2164","","","","","","1.088","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204858","13.9695","0.0002","14.1207","0.0002","27.557","0.0003","87.3761","0.0005","89.5155","0.0005","86.1853","0.0005","5418.06","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H75 Mo12 N O40 P -","- C122 H75 Mo12 N O40 P -","- C244 H150 Mo24 N2 O80 P2 -","2","1","","Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García; Eugenia Martínez-Ferrero; Manuel Almeida; Elsa B. Lopes; Silvia C. Capelli; Rosa M. Llusar","New conducting radical salts based upon Keggin-type polyoxometalates and perylene","J. Mater. Chem.","2004","14","12","1867","1872","10.1039/b402630f","","","0.71073","MoKα","","0.064","0.0406","","","0.1185","0.141","","","","","","1.18","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204859","18.366","0.004","18.547","0.005","19.172","0.005","83.033","0.007","84.736","0.007","67.564","0.007","5984","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H126 N2 O40 Si W12 -","- C122 H126 N2 O40 Si W12 -","- C244 H252 N4 O80 Si2 W24 -","2","1","","Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García; Eugenia Martínez-Ferrero; Manuel Almeida; Elsa B. Lopes; Silvia C. Capelli; Rosa M. Llusar","New conducting radical salts based upon Keggin-type polyoxometalates and perylene","J. Mater. Chem.","2004","14","12","1867","1872","10.1039/b402630f","","","0.71069","MoKα","","0.4312","0.1451","","","0.3111","0.415","","","","","","0.924","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204860","7.96","0.005","10.122","0.005","12.782","0.005","67.234","0.005","84.407","0.005","80.782","0.005","936.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cu N4 O8 S -","- C14 H22 Cu N4 O8 S -","- C28 H44 Cu2 N8 O16 S2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71069","MoKα","","0.0371","0.0314","","0.0915","0.0884","","","","1.042","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204861","23.548","0.011","18.524","0.008","16.469","0.008","90","","102.008","0.017","90","","7027","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 Cu N8 O11.5 S -","- C28 H28 Cu N8 O11.5 S -","- C224 H224 Cu8 N64 O92 S8 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71073","MoKα","","0.187","0.0884","","0.2967","0.23","","","","1.034","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204862","17.0947","0.0011","17.0947","0.0011","10.7531","0.0008","90","","90","","90","","3142.4","0.4","297","2","297","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C6 H26 Co3 N6 O28 P4 W4 -","- C6 H26 Co3 N6 O28 P4 W4 -","- C24 H104 Co12 N24 O112 P16 W16 -","4","0.25","","Yan, Bangbo; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D.","Hydrothermal synthesis, structures and catalytic properties of the new open-framework cobalt tungsten phosphates (enH2)3[Co3W4P4O28] and K6[Co3W4P4O28]�4H2O","Journal of Materials Chemistry","2004","14","10","1567","","10.1039/b402942a","","","0.71073","MoKα","","0.0623","0.0399","","","0.0838","0.0911","","","","","","1.05","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204863","16.96","0.005","16.96","0.005","10.705","0.005","90","","90","","90","","3079.2","1.9","299","2","299","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Co3 H8 K6 O32 P4 W4 -","- Co3 K6 O31.8 P4 W4 -","- Co12 K24 O127.2 P16 W16 -","4","0.25","","Yan, Bangbo; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D.","Hydrothermal synthesis, structures and catalytic properties of the new open-framework cobalt tungsten phosphates (enH2)3[Co3W4P4O28] and K6[Co3W4P4O28]�4H2O","Journal of Materials Chemistry","2004","14","10","1567","","10.1039/b402942a","","","0.71073","MoKα","","0.1066","0.0547","","","0.0955","0.1106","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204864","8.3393","0.0002","9.4759","0.0002","11.9105","0.0003","102.8","0.0009","90.1883","0.001","104.761","0.0011","885.74","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-chloro-1,2,3,5-dithiadiazolyl","","- C Cl N2 S2 -","- C Cl N2 S2 -","- C8 Cl8 N16 S16 -","8","4","","Clarke, Caroline S.; Pascu, Sofia I.; Rawson, Jeremy M.","Further studies on the polymorphic dithiadiazolyl radical, ClCNSSN","CrystEngComm","2004","6","17","79","","10.1039/b403430a","","","0.71073","MoKα","","0.0278","0.0258","","","0.0669","0.0681","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204865","8.3198","0.0017","15.4","0.003","15.635","0.003","90","","99.4","0.03","90","","1976.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(IMesH)(Cl).H2O","","","- C21 H27 Cl N2 O -","- C21 H27 Cl N2 O -","- C84 H108 Cl4 N8 O4 -","4","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.0572","0.0415","","","0.1095","0.1165","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204866","8.3676","0.0017","11.315","0.002","13.246","0.003","70.27","0.03","80.1","0.03","76.55","0.03","1142.1","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(IMesH)(Cl).Acetone","","","- C24 H31 Cl N2 O -","- C24 H31 Cl N2 O -","- C48 H62 Cl2 N4 O2 -","2","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.1181","0.0842","","","0.2048","0.231","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204867","22.5962","0.0005","8.1506","0.0002","7.6964","0.0001","90","","90","","90","","1417.47","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","syn-7-trimethyl-silyl-5 Norbornene-2,3-endo -dicarboxylic acid","","","- C12 H18 O4 Si -","- C12 H18 O4 Si -","- C48 H72 O16 Si4 -","4","1","","Shahina Begum, Noor; Girija, C. R.; Nagendrappa, Gopalpur","The influence of the trimethylsilyl group: helical self-assembly of syn-7-trimethylsilyl-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2004","6","24","116","","10.1039/b403631j","","","0.71073","MoKα","","0.041","0.0383","","","0.1103","0.1133","","","","","","0.89","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204868","12.646","0.003","7.404","0.001","7.297","0.001","90","","120.18","0.03","90","","590.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Co O6 -","- C3 H2 Co O6 -","- C12 H8 Co4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71069","MoKα","","0.0336","0.0257","","","0.0759","0.0789","","","","","","1.165","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204869","12.5748","0.0005","7.3781","0.0006","7.2274","0.0004","90","","120.391","0.006","90","","578.41","0.07","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Ni O6 -","- C3 H2 Ni O6 -","- C12 H8 Ni4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71073","MoKα","","0.071","0.0421","","","0.086","0.0921","","","","","","1.095","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204870","6.054","0.003","8.226","0.004","19.641","0.009","87.74","0.04","81.23","0.04","82.53","0.04","958.3","0.8","296.2","","","","","","","","","","","4","P -1","-P 1","2","2,5-Bis-(2,2')bithiophenyl-5-yl-thiazolo(5,4-d)thiazole","","","- C20 H10 N2 S6 -","- C20 H7 N2 S6 -","- C40 H14 N4 S12 -","2","1","","Ando, Shinji; Nishida, Jun-ichi; Inoue, Youji; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, physical properties, and field-effect transistors of novel thiophene/thiazolothiazole co-oligomers","Journal of Materials Chemistry","2004","14","12","1787","","10.1039/b403699a","","","0.7107","MoKα","","","0.0648","","","","0.163","","","","","","2.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204871","7.552","0.0015","16.296","0.003","16.174","0.003","90","","98.71","0.03","90","","1967.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(4-nitrophenyl)diphenylmethane","bis(4-nitrophenyl)diphenylmethane","","- C25 H18 N2 O4 -","- C25 H18 N2 O4 -","- C100 H72 N8 O16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1102","0.0642","","","0.153","0.1817","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204872","20.909","0.002","20.909","0.002","25.247","0.004","90","","90","","120","","9559","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-water","bis(4-nitrophenyl)diphenylmethane-water","","- C75 H58 N6 O14 -","- C75 H57.99 N6 O13.99 -","- C450 H347.94 N36 O83.94 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0989","0.0673","","","0.2173","0.2487","","","","","","1.029","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204873","20.916","0.003","20.916","0.003","25.122","0.005","90","","90","","120","","9518","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-THF","bis(4-nitrophenyl)diphenylmethane-THF","","- C78 H54 N6 O16 -","- C78 H54 N6 O16 -","- C468 H324 N36 O96 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0984","0.0574","","","0.1294","0.1555","","","","","","1.018","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204874","9.782","0.001","11.907","0.002","20.242","0.003","90","","98.13","0.01","90","","2334","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrakis-(4-cyanophenyl)methane","tetrakis-(4-cyanophenyl)methane","","- C29 H16 N4 -","- C29 H16 N4 -","- C116 H64 N16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1517","0.0664","","","0.0857","0.1332","","","","","","1.35","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204875","15.413","0.003","17.607","0.003","18.504","0.003","90","","90","","90","","5021.6","1.5","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrakis-(4-cyanophenyl)methane-MeCN","tetrakis-(4-cyanophenyl)methane-MeCN","","- C29 H16 N4 -","- C29 H16 N4 -","- C232 H128 N32 -","8","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1201","0.0687","","","0.155","0.1766","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204876","19.3682","0.0007","19.3682","0.0007","18.9884","0.001","90","","90","","120","","6168.8","0.5","153","2","153","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","[Tris(5,5'-diamino-2,2'-bipyridine)iron(II)] bis(4-nitrophenolate) dihydrate","","- C42 H42 Fe N14 O8 -","- C42 H42 Fe N14 O8 -","- C252 H252 Fe6 N84 O48 -","6","1","","Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph","Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit","CrystEngComm","2004","6","26","126","","10.1039/b404151h","","","0.71073","MoKα","","0.0427","0.0383","","","0.0806","0.0826","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204877","14.027","0.005","6.124","0.002","17.047","0.006","90","","90","","90","","1464.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-methoxy-4-ethynylbenzene","1-methoxy-4-ethynylbenzene","","- C9 H8 O -","- C9 H8 O -","- C72 H64 O8 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0428","0.0372","","","0.099","0.1046","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204878","13.962","0.003","6.052","0.001","19.542","0.003","90","","90","","90","","1651.3","0.5","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-(methoxycarbonyl)-4-ethynylbenzene","1-(methoxycarbonyl)-4-ethynylbenzene","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0535","0.0432","","","0.1155","0.1228","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204879","7.0501","0.0006","8.9204","0.0008","10.799","0.0009","90","","90","","90","","679.15","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylbenzaldehyde","4-ethynylbenzaldehyde","","- C9 H6 O -","- C9 H6 O -","- C36 H24 O4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0429","0.0409","","","0.1128","0.1161","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204880","4.0302","0.0006","6.24","0.001","8.22","0.001","104.97","0.01","92.28","0.03","91.73","0.01","199.37","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","4-ethynyl-2,3,5,6-tetrafluoroanisole","4-ethynyl-2,3,5,6-tetrafluoroanisole","","- C9 H4 F4 O -","- C9 H4 F4 O -","- C9 H4 F4 O -","1","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0367","0.034","","","0.108","0.1101","","","","","","1.255","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204881","5.646","0.001","7.268","0.001","19.528","0.004","90","","90","","90","","801.3","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylthioanisole","4-ethynylthioanisole","","- C9 H8 S -","- C9 H8 S -","- C36 H32 S4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.1208","0.0499","","","0.0848","0.0999","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204882","5.9008","0.0005","10.0652","0.0008","11.6577","0.0009","90","","102.919","0.003","90","","674.86","0.09","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","4-ethynyltoluene","4-ethynyltoluene","","- C9 H8 -","- C9 H8 -","- C36 H32 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.073","0.0465","","","0.0827","0.0875","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204883","8.6911","0.0005","13.1827","0.0007","13.275","0.0007","90","","93.128","0.001","90","","1518.68","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Br2 Cu N5 O2 -","- C10 H17 Br2 Cu N5 O2 -","- C40 H68 Br8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.032","0.0251","","","0.0646","0.0669","","","","","","0.995","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204884","12.009","0.0006","8.5819","0.0004","13.9542","0.0009","90","","103.305","0.002","90","","1399.52","0.13","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H15 Cl2 Cu N5 O -","- C10 H15 Cl2 Cu N5 O -","- C40 H60 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0985","0.0494","","","0.0939","0.1094","","","","","","0.999","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204885","11.81","0.002","8.2394","0.0012","16.073","0.002","90","","104.282","0.003","90","","1515.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cl2 Cu N5 O2 -","- C10 H17 Cl2 Cu N5 O2 -","- C40 H68 Cl8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0575","0.0371","","","0.0837","0.0896","","","","","","0.936","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204886","11.4766","0.0011","8.7847","0.0008","13.5378","0.0012","90","","109.089","0.001","90","","1289.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cl2 Cu N5 O -","- C9 H13 Cl2 Cu N5 O -","- C36 H52 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0512","0.0389","","","0.0969","0.1021","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204887","11.9013","0.0007","11.9578","0.0007","13.8143","0.0008","112.245","0.001","112.224","0.001","91.301","0.001","1652.59","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Ag B F4 N2 O2 -","- C36 H30 Ag B F4 N2 O2 -","- C72 H60 Ag2 B2 F8 N4 O4 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0465","0.0294","","","0.0749","0.0824","","","","","","0.942","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204888","12.4855","0.0007","8.6349","0.0005","15.6533","0.0009","90","","98.286","0.001","90","","1669.98","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Ag F6 N2 O2 P -","- C36 H30 Ag F6 N2 O2 P -","- C72 H60 Ag2 F12 N4 O4 P2 -","2","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0391","0.0305","","","0.0822","0.0904","","","","","","1.042","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204889","15.1447","0.0008","21.8075","0.0012","15.6767","0.0008","90","","107.16","0.006","90","","4947","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(TPA)4[Cu8(i-mnt)6],2MeCN","tetrakis-tetrapropylamonium-hexa-iso-maleonitrile- octa-cuprate(I)bis-acetonitrile solvate","","- C76 H118 Cu8 N18 S12 -","- C76 H118 Cu8 N18 S12 -","- C152 H236 Cu16 N36 S24 -","2","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Auban-Senzier, Pascale","Radical cation salts of TTF derivatives incorporating the maleonitriledithiolate copper cluster anion [Cu8(i-mnt)6]4?","Journal of Materials Chemistry","2004","14","24","3509","","10.1039/b411014e","","","0.71073","MoKα","","0.1239","0.0315","","","0.0588","0.0926","","","","","","1.032","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204890","12.8019","0.0011","16.5389","0.0014","17.5845","0.0017","95.819","0.011","91.382","0.011","109.792","0.01","3478.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(BEDT-TTF)6[Cu8(i-mnt)6](CH2Cl2)4","hexakis-bisethylenedithiotetrathiafulvalenium-hexa-iso-maleonitrile- octa-cuprate(I)-tetrakis-dichloromethane solvate","","- C44 H28 Cl4 Cu4 N6 S30 -","- C44 H28 Cl4 Cu4 N6 S30 -","- C88 H56 Cl8 Cu8 N12 S60 -","2","1","","Perruchas, Sandrine; Boubekeur, Kamal; Auban-Senzier, Pascale","Radical cation salts of TTF derivatives incorporating the maleonitriledithiolate copper cluster anion [Cu8(i-mnt)6]4?","Journal of Materials Chemistry","2004","14","24","3509","","10.1039/b411014e","","","0.71073","MoKα","","0.092","0.0828","","","0.1957","0.2049","","","","","","1.027","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204891","11.8708","0.0014","14.59","0.002","16.714","0.002","76.93","0.016","77.497","0.014","72.449","0.015","2654","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTF)6[Cu8(i-mnt)6]","hexakis-ethylenedithiotetrathiafulvalenium-hexa-iso-maleonitrile- octa-cuprate(I)","","- C72 H36 Cu8 N12 S48 -","- C72 H24 Cu8 N12 S48 -","- C72 H24 Cu8 N12 S48 -","1","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Auban-Senzier, Pascale","Radical cation salts of TTF derivatives incorporating the maleonitriledithiolate copper cluster anion [Cu8(i-mnt)6]4?","Journal of Materials Chemistry","2004","14","24","3509","","10.1039/b411014e","","","0.71073","MoKα","","0.1509","0.0713","","","0.1703","0.2154","","","","","","1.05","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204904","2.886","","2.886","","2.886","","90","","90","","90","","24.037","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7209351","9.8186","","13.7462","","15.7368","","90","","96.681","","90","","2109.55","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rb3 (Ag Ta2 Se12)","","- Ag Rb3 Se12 Ta2 -","- Ag Rb3 Se12 Ta2 -","- Ag4 Rb12 Se48 Ta8 -","4","1","","Wu, Y.; Bensch, W.; Naether, C.","Low dimensional materials: syntheses structures, and optical properties of Rb2 Cu Ta S4, Rb2 Cu Ta Se4, Rb Cu2 Ta Se4, K3 Ag3 Ta2 Se8, and Rb3 Ag Ta2 Se12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","1006","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209377","25.137","","6.1007","","14.403","","90","","119.7","","90","","1918.59","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K3 (Ag3 Ta2 Se8)","","- Ag3 K3 Se8 Ta2 -","- Ag3 K3 Se8 Ta2 -","- Ag12 K12 Se32 Ta8 -","4","0.5","","Naether, C.; Wu, Y.; Bensch, W.","Low dimensional materials: syntheses structures, and optical properties of Rb2 Cu Ta S4, Rb2 Cu Ta Se4, Rb Cu2 Ta Se4, K3 Ag3 Ta2 Se8, and Rb3 Ag Ta2 Se12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","1006","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209449","15.9301","","7.4023","","12.2638","","90","","90","","90","","1446.14","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Dy (B O2)3","","- B3 Dy O6 -","- B3 Dy O6 -","- B48 Dy16 O96 -","16","2","","Emme, H.; Moeller, M.H.; Nikelski, T.; Poettgen, R.; Huppertz, H.; Schleid, T.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209450","15.8759","","7.3804","","12.1885","","90","","90","","90","","1428.13","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Er (B O2)3","","- B3 Er O6 -","- B3 Er O6 -","- B48 Er16 O96 -","16","2","","Huppertz, H.; Emme, H.; Moeller, M.H.; Schleid, T.; Nikelski, T.; Poettgen, R.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209451","15.919","","7.3952","","12.2334","","90","","90","","90","","1440.17","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ho (B O2)3","","- B3 Ho O6 -","- B3 Ho O6 -","- B48 Ho16 O96 -","16","2","","Huppertz, H.; Emme, H.; Moeller, M.H.; Schleid, T.; Poettgen, R.; Nikelski, T.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209452","15.7674","","7.3467","","12.1153","","90","","90","","90","","1403.42","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu (B O2)3","","- B3 Lu O6 -","- B3 Lu O6 -","- B48 Lu16 O96 -","16","2","","Poettgen, R.; Huppertz, H.; Nikelski, T.; Emme, H.; Moeller, M.H.; Schleid, T.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209454","15.816","","7.3616","","12.1623","","90","","90","","90","","1416.07","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tm (B O2)3","","- B3 O6 Tm -","- B3 O6 Tm -","- B48 O96 Tm16 -","16","2","","Moeller, M.H.; Schleid, T.; Emme, H.; Nikelski, T.; Poettgen, R.; Huppertz, H.","High-pressure synthesis, crystal structure and properties of the new orthorhombic rare-earth meta-oxoborates RE (B O2)3 (RE = Dy - Lu)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","202","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209481","6.585","","5.027","","8.349","","90","","108.91","","90","","261.459","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bi (B O3)","","- B Bi O3 -","- B Bi O3 -","- B4 Bi4 O12 -","4","1","","Becker, P.; Froehlich, R.","Crystal growth and crystal structure of metastable bismuth orthborate, BiBO3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","256","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214192","8.24781","0.00015","8.24781","0.00015","8.24781","0.00015","90","","90","","90","","561.069","0.018","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.88)","","- Li Mn2 O3.884 -","- Li Mn2 O3.892 -","- Li8 Mn16 O31.136 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214193","8.24709","0.00012","8.24709","0.00012","8.24709","0.00012","90","","90","","90","","560.922","0.014","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.89)","","- Li Mn2 O3.892 -","- Li Mn2 O3.884 -","- Li8 Mn16 O31.072 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214194","8.2426","0.00014","8.2426","0.00014","8.2426","0.00014","90","","90","","90","","560.006","0.016","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.92)","","- Li Mn2 O3.92 -","- Li Mn2 O3.92 -","- Li8 Mn16 O31.36 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214195","8.2406","0.00015","8.2406","0.00015","8.2406","0.00015","90","","90","","90","","559.598","0.018","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.96)","","- Li Mn2 O3.96 -","- Li Mn2 O3.96 -","- Li8 Mn16 O31.68 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214196","8.24648","0.00011","8.24648","0.00011","8.24648","0.00011","90","","90","","90","","560.797","0.013","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.93)","","- Li Mn2 O3.928 -","- Li Mn2 O3.928 -","- Li8 Mn16 O31.424 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214197","8.24334","0.00011","8.24334","0.00011","8.24334","0.00011","90","","90","","90","","560.157","0.013","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.912)","","- Li Mn2 O3.912 -","- Li Mn2 O3.912 -","- Li8 Mn16 O31.296 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214198","8.24075","0.00007","8.24075","0.00007","8.24075","0.00007","90","","90","","90","","559.629","0.008","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.94)","","- Li Mn2 O3.944 -","- Li Mn2 O3.944 -","- Li8 Mn16 O31.552 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214199","8.23803","0.00008","8.23803","0.00008","8.23803","0.00008","90","","90","","90","","559.075","0.009","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.96)","","- Li Mn2 O3.96 -","- Li Mn2 O3.96 -","- Li8 Mn16 O31.68 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214200","8.23785","0.00013","8.23785","0.00013","8.23785","0.00013","90","","90","","90","","559.038","0.015","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.98)","","- Li Mn2 O3.984 -","- Li Mn2 O3.984 -","- Li8 Mn16 O31.872 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214201","8.24165","0.00012","8.24165","0.00012","8.24165","0.00012","90","","90","","90","","559.812","0.014","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.96)","","- Li Mn2 O3.96 -","- Li Mn2 O3.956 -","- Li8 Mn16 O31.648 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214202","8.23845","0.00013","8.23845","0.00013","8.23845","0.00013","90","","90","","90","","559.161","0.015","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.02/1.98/3.88)","","- Li1.022 Mn1.978 O3.884 -","- Li1.022 Mn1.978 O3.884 -","- Li8.176 Mn15.824 O31.072 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214203","8.23222","0.00005","8.23222","0.00005","8.23222","0.00005","90","","90","","90","","557.893","0.006","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.04/1.96/3.96)","","- Li1.042 Mn1.958 O3.956 -","- Li1.042 Mn1.958 O3.956 -","- Li8.336 Mn15.664 O31.648 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214204","8.21393","0.00015","8.21393","0.00015","8.21393","0.00015","90","","90","","90","","554.183","0.018","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.09/1.91/3.99)","","- Li1.09 Mn1.91 O3.992 -","- Li1.09 Mn1.91 O3.992 -","- Li8.72 Mn15.28 O31.936 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214205","8.24118","0.0001","8.24118","0.0001","8.24118","0.0001","90","","90","","90","","559.717","0.012","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.9)","","- Li Mn2 O3.9 -","- Li Mn2 O3.9 -","- Li8 Mn16 O31.2 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214206","8.24185","0.00007","8.24185","0.00007","8.24185","0.00007","90","","90","","90","","559.853","0.008","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.02/1.98/3.94)","","- Li1.022 Mn1.978 O3.94 -","- Li1.022 Mn1.978 O3.94 -","- Li8.176 Mn15.824 O31.52 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214207","8.22889","0.00011","8.22889","0.00011","8.22889","0.00011","90","","90","","90","","557.216","0.013","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.03/1.97/3.98)","","- Li1.034 Mn1.966 O3.976 -","- Li1.034 Mn1.966 O3.976 -","- Li8.272 Mn15.728 O31.808 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214208","8.21687","0.00012","8.21687","0.00012","8.21687","0.00012","90","","90","","90","","554.778","0.014","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.07/1.93/3.98)","","- Li1.068 Mn1.932 O3.984 -","- Li1.068 Mn1.932 O3.984 -","- Li8.544 Mn15.456 O31.872 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214209","8.21218","0.00005","8.21218","0.00005","8.21218","0.00005","90","","90","","90","","553.829","0.006","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.08/1.92/4)","","- Li1.077 Mn1.923 O4 -","- Li1.077 Mn1.923 O4 -","- Li8.616 Mn15.384 O32 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7216186","20.2438","0.0003","14.308","0.0002","19.1313","0.0003","90","","105.688","0.001","90","","5334.92","0.14","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl2 O4 S -","- C32 H24 Cl2 O4 S -","- C256 H192 Cl16 O32 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0385","0.0321","","","0.0802","0.083","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216187","33.3796","0.001","10.1112","0.0002","14.2492","0.0004","90","","91.117","0.001","90","","4808.3","0.2","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Cl2 O2 S -","- C31 H19 Cl2 O2 S -","- C248 H152 Cl16 O16 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0492","0.0357","","","0.0819","0.0866","","","","","","1.022","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216188","13.991","0.0013","10.2442","0.0008","15.5461","0.0013","90","","99.564","0.003","90","","2197.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 Cl2 O2 S -","- C28 H16 Cl2 O2 S -","- C112 H64 Cl8 O8 S4 -","4","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0548","0.0383","","","0.1025","0.1099","","","","","","1.111","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216189","6.622","0.0001","7.7322","0.0002","9.8897","0.0004","80.5127","0.001","88.4579","0.0011","70.5583","0.0018","470.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","1","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0344","0.0287","","","0.064","0.0653","","","","","","1.038","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216190","10.7543","0.0001","15.5103","0.0002","22.9109","0.0004","90","","90","","90","","3821.59","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 Cd2 Cl2 N16 O9 -","- C26 H26 Cd2 Cl2 N16 O9 -","- C104 H104 Cd8 Cl8 N64 O36 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0905","0.0441","","","0.109","0.1221","","","","","","0.95","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216191","13.3175","0.0003","12.4223","0.0004","13.3087","0.0003","90","","118.383","0.0016","90","","1937.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Cd2 N17 -","- C12 H10 Cd2 N17 -","- C48 H40 Cd8 N68 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0465","0.0243","","","0.053","0.057","","","","","","0.914","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216192","12.9875","0.0003","12.8242","0.0003","13.6191","0.0003","90","","116.947","0.0016","90","","2022.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd2 N18 -","- C12 H7 Cd2 N18 -","- C48 H28 Cd8 N72 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.061","0.0377","","","0.0794","0.0828","","","","","","1.281","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216193","12.733","0.003","12.911","0.003","13.92","0.003","90","","115.79","0.03","90","","2060.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd2 N16 -","- C14 H14 Cd2 N16 -","- C56 H56 Cd8 N64 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0685","0.0331","","","0.0605","0.0657","","","","","","0.86","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216194","11.766","0.003","24.48","0.005","14.315","0.004","90","","100.78","0.03","90","","4050.4","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H40 Cl4 Cu2 N6 O7 -","- C38 H40 Cl4 Cu2 N6 O7 -","- C152 H160 Cl16 Cu8 N24 O28 -","4","1","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.1322","0.0499","","","0.093","0.1188","","","","","","1.007","","","","has coordinates","275109","2022-05-06","15:20:05",""
"7216195","5.688","0.002","7.57","0.002","21.55","0.004","85.59","0.02","84.57","0.03","79.43","0.02","906.4","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H18 Cl Cu N3 O4 -","- C18 H18 Cl Cu N3 O4 -","- C36 H36 Cl2 Cu2 N6 O8 -","2","2","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.0161","0.0147","","","0.0374","0.0383","","","","","","1.085","","","","has coordinates","275109","2022-05-06","15:20:06",""
"7222503","7.4587","","7.3163","","9.3715","","90","","108.429","","90","","485.177","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ba2 Ge Se1.53 Te2.47 -","- Ba2 Ge Se1.53 Te2.47 -","- Ba4 Ge2 Se3.06 Te4.94 -","2","0.5","","Assoud, A.; Soheilnia, N.; Kleinke, H.","From yellow to black: new semiconducting Ba chalcogeno-germanates","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","975","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222504","7.3212","","7.1909","","9.2853","","90","","108.433","","90","","463.754","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ba2 (Ge Se2 Te2)","","- Ba2 Ge Se2 Te2 -","- Ba2 Ge Se2 Te2 -","- Ba4 Ge2 Se4 Te4 -","2","0.5","","Assoud, A.; Soheilnia, N.; Kleinke, H.","From yellow to black: new semiconducting Ba chalcogeno-germanates","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","975","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222505","6.9958","","7.0938","","9.1738","","90","","109.135","","90","","430.112","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ba2 (Ge Se4)","","- Ba2 Ge Se4 -","- Ba2 Ge Se4 -","- Ba4 Ge2 Se8 -","2","0.5","","Assoud, A.; Soheilnia, N.; Kleinke, H.","From yellow to black: new semiconducting Ba chalcogeno-germanates","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","975","979","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222508","11.179","","3.9133","","24.443","","90","","90","","90","","1069.3","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La Ni5 As3","","- As3 La Ni5 -","- As3 La Ni5 -","- As24 La8 Ni40 -","8","1","","Babizhetskyy, V.; Guerin, R.; Simon, A.","A new ternary arsenide La Ni5 As3: preparation and crystal struture","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","1103","1108","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222511","7.5363","","7.5363","","3.443","","90","","90","","120","","169.35","","","","","","","","","","","","","3","P -6","P -6","174","","Sc3 Ni2.14 In3.76","","- In3.76 Ni2.14 Sc3 -","- In3.761 Ni2.144 Sc3 -","- In3.761 Ni2.144 Sc3 -","1","0.166667","","Lukachuk, M.; Zaremba, V.I.; Hoffmann, R.D.; Poettgen, R.","Synthesis and structural relationship of the ternary indides Sc3 Ni2.10(5) In3.60(5), Sc3 Ni2.14(2) In3.76(2), Sc3 Rh1.594(9) In4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","182","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","161780","2020-10-21","18:00:00",""
"7222512","7.457","","7.457","","3.4285","","90","","90","","120","","165.106","","","","","","","","","","","","","3","P -6","P -6","174","","Sc3 Ni2.1 In3.6","","- In3.6 Ni2.1 Sc3 -","- In3.59 Ni2.109 Sc3 -","- In3.59 Ni2.109 Sc3 -","1","0.166667","","Lukachuk, M.; Zaremba, V.I.; Hoffmann, R.D.; Poettgen, R.","Synthesis and structural relationship of the ternary indides Sc3 Ni2.10(5) In3.60(5), Sc3 Ni2.14(2) In3.76(2), Sc3 Rh1.594(9) In4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","182","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","161785","2020-10-21","18:00:00",""
"7222513","7.641","","7.641","","3.459","","90","","90","","120","","174.897","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sc Pd0.98 In","","- In Pd0.98 Sc -","- In Pd0.980667 Sc -","- In3 Pd2.942 Sc3 -","3","0.25","","Lukachuk, M.; Zaremba, V.I.; Hoffmann, R.D.; Poettgen, R.","Synthesis and structural relationship of the ternary indides Sc3 Ni2.10(5) In3.60(5), Sc3 Ni2.14(2) In3.76(2), Sc3 Rh1.594(9) In4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","182","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222514","7.694","","7.694","","6.841","","90","","90","","120","","350.715","","","","","","","","","","","","","3","P -6","P -6","174","","Sc Rh0.53 In1.33","","- In1.33 Rh0.53 Sc -","- In1.33333 Rh0.531167 Sc -","- In8 Rh3.187 Sc6 -","6","1","","Lukachuk, M.; Zaremba, V.I.; Hoffmann, R.D.; Poettgen, R.","Synthesis and structural relationship of the ternary indides Sc3 Ni2.10(5) In3.60(5), Sc3 Ni2.14(2) In3.76(2), Sc3 Rh1.594(9) In4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","182","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222515","7.5837","","7.5837","","3.6668","","90","","90","","120","","182.633","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Tm Ni0.76 In1.21","","- In1.21 Ni0.76 Tm -","- In1.21333 Ni0.753333 Tm -","- In3.64 Ni2.26 Tm3 -","3","0.25","","Lukachuk, M.; Kal'ichak, Ya.M.; Poettgen, R.","The solid solution Tm Ni(1-x-y) In(1+x)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","893","897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222516","7.5294","","7.5294","","3.6651","","90","","90","","120","","179.944","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Tm Ni0.8 In1.16","","- In1.16 Ni0.8 Tm -","- In1.162 Ni0.795667 Tm -","- In3.486 Ni2.387 Tm3 -","3","0.25","","Lukachuk, M.; Kal'ichak, Ya.M.; Poettgen, R.","The solid solution Tm Ni(1-x-y) In(1+x)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","893","897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222517","7.4706","","7.4706","","3.6776","","90","","90","","120","","177.749","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Tm Ni0.88 In1.1","","- In1.1 Ni0.88 Tm -","- In1.09667 Ni0.875667 Tm -","- In3.29 Ni2.627 Tm3 -","3","0.25","","Lukachuk, M.; Kal'ichak, Ya.M.; Poettgen, R.","The solid solution Tm Ni(1-x-y) In(1+x)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","893","897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222537","4.559","","13.766","","6.745","","90","","90","","90","","423.311","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","La Ge","","- Ge La -","- Ge La -","- Ge8 La8 -","8","0.5","","Mattausch, H.J.; Simon, A.","Eine neue Modifikation von Lanthanmonogermanid - IT-La Ge","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","559","561","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222540","12.8413","","5.2831","","16.4532","","90","","105.981","","90","","1073.08","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","La2 Te4 O11","","- La2 O11 Te4 -","- La2 O11 Te4 -","- La8 O44 Te16 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162412","2020-10-21","18:00:00",""
"7222541","12.7634","","5.2562","","16.3908","","90","","105.99","","90","","1057.06","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ce2 Te4 O11","","- Ce2 O11 Te4 -","- Ce2 O11 Te4 -","- Ce8 O44 Te16 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162416","2020-10-21","18:00:00",""
"7222542","12.652","","5.2137","","16.2864","","90","","106.023","","90","","1032.58","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Nd2 Te4 O11","","- Nd2 O11 Te4 -","- Nd2 O11 Te4 -","- Nd8 O44 Te16 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162420","2020-10-21","18:00:00",""
"7222543","12.5609","","5.1758","","16.2047","","90","","106.045","","90","","1012.47","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pr2 Te4 O11","","- O11 Pr2 Te4 -","- O11 Pr2 Te4 -","- O44 Pr8 Te16 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162424","2020-10-21","18:00:00",""
"7222544","12.5242","","5.1629","","16.1613","","90","","106.068","","90","","1004.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Eu2 Te4 O11","","- Eu2 O11 Te4 -","- Eu2 O11 Te4 -","- Eu8 O44 Te16 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","882","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162428","2020-10-21","18:00:00",""
"7222545","12.4918","","5.1507","","16.1326","","90","","106.096","","90","","997.305","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Gd2 Te4 O11","","- Gd2 O11 Te4 -","- Gd2 O11 Te4 -","- Gd8 O44 Te16 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162432","2020-10-21","18:00:00",""
"7222548","12.4563","","5.133","","16.0985","","90","","106.102","","90","","988.929","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tb2 Te4 O11","","- O11 Tb2 Te4 -","- O11 Tb2 Te4 -","- O44 Tb8 Te16 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162437","2020-10-21","18:00:00",""
"7222549","12.4136","","5.1174","","16.0462","","90","","106.131","","90","","979.208","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dy2 Te4 O11","","- Dy2 O11 Te4 -","- Dy2 O11 Te4 -","- Dy8 O44 Te16 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162441","2020-10-21","18:00:00",""
"7222550","12.3827","","5.1063","","16.0238","","90","","106.159","","90","","973.154","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ho2 Te4 O11","","- Ho2 O11 Te4 -","- Ho2 O11 Te4 -","- Ho8 O44 Te16 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162445","2020-10-21","18:00:00",""
"7222552","12.3412","","5.0785","","15.9704","","90","","106.178","","90","","961.305","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tm2 Te4 O11","","- O11 Te4 Tm2 -","- O11 Te4 Tm2 -","- O44 Te16 Tm8 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162449","2020-10-21","18:00:00",""
"7222553","12.3264","","5.0671","","15.939","","90","","106.184","","90","","956.084","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Yb2 Te4 O11","","- O11 Te4 Yb2 -","- O11 Te4 Yb2 -","- O44 Te16 Yb8 -","4","0.5","","Meier, S.F.; Schleid, T.","Oxotellurate(IV) der Lanthanide: I. Die isotype Reihe M2 Te4 O11 (M = La-Nd, Sm-Yb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","162453","2020-10-21","18:00:00",""
"7222560","13.991","","3.7124","","34.029","","90","","90","","90","","1767.47","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Gd6.044 Ti3.955 O6.268 S9.732","","- Gd6.044 O6.268 S9.732 Ti3.955 -","- Gd6.045 O6.268 S9.732 Ti3.955 -","- Gd24.18 O25.072 S38.928 Ti15.82 -","4","0.5","","Meignen, V.; Meerschaut, A.; Cario, L.; Lafond, A.","Synthesis and crystal structure of a new oxysulfide Gd(6+x) Ti(4-x) S(10-y) O(6+y) (where x = 0.04 and y = 0.27)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","963","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","162483","2020-10-21","18:00:00",""
"7222583","7.905","","7.905","","8.256","","90","","90","","120","","446.791","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Rh Mg3","","- Mg3 Rh -","- Mg3 Rh -","- Mg18 Rh6 -","6","0.5","","Hlukhyy, V.; Rodewald, U.C.; Poettgen, R.; Hoffmann, R.D.","Synthesis and structure of Rh Mg3 and Ir3 Mg13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222584","16.07","","16.07","","8.4488","","90","","90","","120","","1889.55","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Ir3 Mg13 -","- Ir3 Mg13 -","- Ir18 Mg78 -","6","0.166667","","Hlukhyy, V.; Rodewald, U.C.; Poettgen, R.; Hoffmann, R.D.","Synthesis and structure of Rh Mg3 and Ir3 Mg13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222586","5.169","","5.169","","8.385","","90","","90","","120","","194.02","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Mg Ir2","","- Ir2 Mg -","- Ir2 Mg -","- Ir8 Mg4 -","4","0.166667","","Hlukhyy, V.; Poettgen, R.","The hexagonal Laves phase Mg Ir2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","943","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222634","7.6376","","11.4305","","7.8906","","90","","105.18","","90","","664.826","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","K2 (Pt (C N)4 Cl2) (H2 O)2","","- C4 H4 Cl2 K2 N4 O2 Pt -","- C4 Cl2 K2 N4 O2 Pt -","- C8 Cl4 K4 N8 O4 Pt2 -","2","0.5","","Muehle, C.; Karpov, A.; Nuss, J.; Jansen, M.","Kristallzucht und Strukturaufklaerung von K2 (Pt (C N)4 Cl2), K2 (Pt (C N)4 Br2), K2 (Pt (C N)4 I2) und K2 (Pt (C N)4 Cl2).2 H2 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","567","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222635","7.0848","","9.0328","","8.5313","","90","","106.37","","90","","523.833","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 (Pt (C N)4 Cl2)","","- C4 Cl2 K2 N4 Pt -","- C4 Cl2 K2 N4 Pt -","- C8 Cl4 K4 N8 Pt2 -","2","0.5","","Muehle, C.; Karpov, A.; Jansen, M.; Nuss, J.","Kristallzucht und Strukturaufklaerung von K2 (Pt (C N)4 Cl2), K2 (Pt (C N)4 Br2), K2 (Pt (C N)4 I2) und K2 (Pt (C N)4 Cl2).2 H2 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","567","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222636","7.1601","","8.9912","","8.6788","","90","","106.851","","90","","534.732","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 (Pt (C N)4 Br2)","","- C4 Br2 K2 N4 Pt -","- C4 Br2 K2 N4 Pt -","- C8 Br4 K4 N8 Pt2 -","2","0.5","","Muehle, C.; Karpov, A.; Nuss, J.; Jansen, M.","Kristallzucht und Strukturaufklaerung von K2 (Pt (C N)4 Cl2), K2 (Pt (C N)4 Br2), K2 (Pt (C N)4 I2) und K2 (Pt (C N)4 Cl2).2 H2 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","567","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222637","7.2476","","9.145","","8.9205","","90","","107.558","","90","","563.7","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 (Pt (C N)4 I2)","","- C4 I2 K2 N4 Pt -","- C4 I2 K2 N4 Pt -","- C8 I4 K4 N8 Pt2 -","2","0.5","","Muehle, C.; Karpov, A.; Nuss, J.; Jansen, M.","Kristallzucht und Strukturaufklaerung von K2 (Pt (C N)4 Cl2), K2 (Pt (C N)4 Br2), K2 (Pt (C N)4 I2) und K2 (Pt (C N)4 Cl2).2 H2 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","567","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222687","6.793","","7.205","","7.359","","73.224","","66.505","","63.054","","291.875","","","","","","","","","","","","","4","P -1","-P 1","2","","(Cd (S O4)) (Hg O)2","","- Cd Hg2 O6 S -","- Cd Hg2 O6 S -","- Cd2 Hg4 O12 S2 -","2","1","","Weil, M.","Preparation and crystal structures of the isotypic compounds Cd X O4 . 2(H2 O) (X = S, Se)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222688","6.9097","","7.1786","","7.4556","","74.586","","68.229","","63.886","","306.037","","","","","","","","","","","","","4","P -1","-P 1","2","","(Cd (Se O4)) (Hg O)2","","- Cd Hg2 O6 Se -","- Cd Hg2 O6 Se -","- Cd2 Hg4 O12 Se2 -","2","1","","Weil, M.","Preparation and crystal structures of the isotypic compounds Cd X O4 . 2(H2 O) (X = S, Se)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222694","7.275","","5.3713","","9.99","","90","","90","","90","","390.371","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ca2 In -","- Ca2 In -","- Ca8 In4 -","4","0.5","","Wendorff, M.; Roehr, C.","Neue Erdalkalimetall-reiche binaere Indide: Ca2 In, Sr28 In11 und Sr5 In3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","619","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222695","5.826","","66.878","","8.235","","90","","90","","90","","3208.61","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","Sr2.33 In0.92","","- In0.92 Sr2.33 -","- In0.916667 Sr2.33333 -","- In22 Sr56 -","24","3","","Wendorff, M.; Roehr, C.","Neue Erdalkalimetall-reiche binaere Indide: Ca2 In, Sr28 In11 und Sr5 In3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","619","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","164221","2020-10-21","18:00:00",""
"7222696","8.744","","8.744","","16.429","","90","","90","","90","","1256.12","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Sr5 In3","","- In3 Sr5 -","- In3 Sr5 -","- In12 Sr20 -","4","0.125","","Wendorff, M.; Roehr, C.","Neue Erdalkalimetall-reiche binaere Indide: Ca2 In, Sr28 In11 und Sr5 In3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","619","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","164225","2020-10-21","18:00:00",""
"7222698","11.849","","16.718","","21.243","","90","","100.48","","90","","4137.86","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(N H4)6 Na4 (Ni4 (H2 O)2 (As W9 O34)2) (H2 O)20","","- As2 H68 N6 Na4 Ni4 O90 W18 -","- As2 N6 Na4 Ni4 O90 W18 -","- As4 N12 Na8 Ni8 O180 W36 -","2","0.5","","Drewes, D.; Limanski, E.M.; Krebs, B.","Synthesis and crystal structure of the tetra-nickel substituted (Ni4 (H2 O)2 (As W9 O34)2)(10-) polyoxoanion","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","980","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222723","5.598","","13.512","","23.854","","90","","90","","90","","1804.32","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Rb2 (Cu Ta S4)","","- Cu Rb2 S4 Ta -","- Cu Rb2 S4 Ta -","- Cu8 Rb16 S32 Ta8 -","8","0.25","","Wu, Y.; Naether, C.; Bensch, W.","Low dimensional materials: syntheses structures, and optical properties of Rb2 Cu Ta S4, Rb2 Cu Ta Se4, Rb Cu2 Ta Se4, K3 Ag3 Ta2 Se8, and Rb3 Ag Ta2 Se12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","1006","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222724","5.782","","13.924","","24.653","","90","","90","","90","","1984.78","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Rb2 (Cu Ta Se4)","","- Cu Rb2 Se4 Ta -","- Cu Rb2 Se4 Ta -","- Cu8 Rb16 Se32 Ta8 -","8","0.25","","Wu, Y.; Naether, C.; Bensch, W.","Low dimensional materials: syntheses structures, and optical properties of Rb2 Cu Ta S4, Rb2 Cu Ta Se4, Rb Cu2 Ta Se4, K3 Ag3 Ta2 Se8, and Rb3 Ag Ta2 Se12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","1006","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222725","5.7218","","19.2463","","7.7456","","90","","90","","90","","852.972","","","","","","","","","","","","","4","C 2 c m","C -2c 2","40","","Rb (Cu2 Ta Se4)","","- Cu2 Rb Se4 Ta -","- Cu2 Rb Se4 Ta -","- Cu8 Rb4 Se16 Ta4 -","4","0.5","","Wu, Y.; Naether, C.; Bensch, W.","Low dimensional materials: syntheses structures, and optical properties of Rb2 Cu Ta S4, Rb2 Cu Ta Se4, Rb Cu2 Ta Se4, K3 Ag3 Ta2 Se8, and Rb3 Ag Ta2 Se12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","1006","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222743","12.653","","13.161","","19.472","","90","","90","","90","","3242.6","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Ba11 Sb10 -","- Ba11 Sb10 -","- Ba44 Sb40 -","4","0.25","","Emmerling, F.; Laengin, N.; Pickhard, F.; Wendorff, M.; Roehr, C.","Verbindungen mit Pentelid-Hanteln M2: AI11 M6 und AII11 M10 (A= Rb, Cs, Ba; M= Sb, Bi)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","7","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222744","11.68","","4.381","","12.571","","90","","100.528","","90","","632.43","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ba1.5 Sb3 -","- Ba1.5 Sb3 -","- Ba6 Sb12 -","4","1","","Emmerling, F.; Laengin, N.; Wendorff, M.; Pickhard, F.; Roehr, C.","Verbindungen mit Pentelid-Hanteln M2: AI11 M6 und AII11 M10 (A= Rb, Cs, Ba; M= Sb, Bi)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","7","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222746","7.667","","10.522","","17.327","","90","","90","","90","","1397.81","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Bi0.60 Rb11 Sb5.4","","- Bi0.6 Rb11 Sb5.4 -","- Bi0.608 Rb11 Sb5.392 -","- Bi1.216 Rb22 Sb10.784 -","2","0.125","","Emmerling, F.; Roehr, C.; Laengin, N.; Pickhard, F.; Wendorff, M.","Verbindungen mit Pentelid-Hanteln M2: AI11 M6 und AII11 M10 (A= Rb, Cs, Ba; M= Sb, Bi)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","7","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","164629","2020-10-21","18:00:00",""
"7222747","6.152","","9.814","","12.154","","74.683","","89.71","","71.464","","668.523","","","","","","","","","","","","","3","P -1","-P 1","2","","Ba3 (Sb O3)2","","- Ba3 O6 Sb2 -","- Ba3 O6 Sb2 -","- Ba9 O18 Sb6 -","3","1.5","","Emmerling, F.; Zimper, S.; Roehr, C.","Neue Barium-Oxoantimonate(III): Darstellung und Kristallstruktur von Ba3 (Sb O3)2 und Ba2 (Sb2 O5)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","509","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","164633","2020-10-21","18:00:00",""
"7222748","4.01","","14.506","","6.366","","90","","90","","90","","370.304","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ba2 (Sb2 O5)","","- Ba2 O5 Sb2 -","- Ba2 O5 Sb2 -","- Ba4 O10 Sb4 -","2","0.125","","Emmerling, F.; Roehr, C.; Zimper, S.","Neue Barium-Oxoantimonate(III): Darstellung und Kristallstruktur von Ba3 (Sb O3)2 und Ba2 (Sb2 O5)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","503","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","164637","2020-10-21","18:00:00",""
"7222788","7.613","","7.613","","4.703","","90","","90","","120","","236.057","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sm Mg In","","- In Mg Sm -","- In Mg Sm -","- In3 Mg3 Sm3 -","3","0.25","","Kraft, R.; Valldor, M.; Poettgen, R.; Hoffmann, R.D.; Kurowski, D.","Ternary indides RE Mg In (RE = Y, La - Nd, Sm, Gd - Tm, Lu). Synthesis, structure and magnetic properties","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222804","7.794","","7.794","","14.413","","90","","90","","90","","875.538","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","(La1.72 Y2.28) Y Si4","","- La1.72 Si4 Y3.28 -","- La1.72 Si4 Y3.28 -","- La6.88 Si16 Y13.12 -","4","0.5","","Rodewald, U.C.; Heying, B.; Poettgen, R.; Johrendt, D.; Hoffmann, R.D.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165041","2020-10-21","18:00:00",""
"7222805","7.6992","","7.6992","","14.123","","90","","90","","90","","837.179","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(La1.72 Lu2.28) Lu Si4","","- La1.72 Lu3.28 Si4 -","- La1.718 Lu3.282 Si4 -","- La6.872 Lu13.128 Si16 -","4","0.5","","Rodewald, U.C.; Heying, B.; Poettgen, R.; Johrendt, D.; Hoffmann, R.D.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165044","2020-10-21","18:00:00",""
"7222806","7.7857","","7.7857","","14.339","","90","","90","","90","","869.189","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","(Ce1.82 Lu2.18) Lu Si4","","- Ce1.82 Lu3.18 Si4 -","- Ce1.82 Lu3.18 Si4 -","- Ce7.28 Lu12.72 Si16 -","4","0.5","","Rodewald, U.C.; Heying, B.; Johrendt, D.; Hoffmann, R.D.; Poettgen, R.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165047","2020-10-21","18:00:00",""
"7222807","7.492","","14.842","","7.803","","90","","90","","90","","867.664","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Ce1.47 Y2.53) Y Si4","","- Ce1.47 Si4 Y3.53 -","- Ce1.474 Si4 Y3.526 -","- Ce5.896 Si16 Y14.104 -","4","0.5","","Rodewald, U.C.; Heying, B.; Johrendt, D.; Hoffmann, R.D.; Poettgen, R.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165051","2020-10-21","18:00:00",""
"7222808","7.788","","7.788","","14.36","","90","","90","","90","","870.976","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(Ce1.71 Y2.29) Y Si4","","- Ce1.71 Si4 Y3.29 -","- Ce1.71 Si4 Y3.29 -","- Ce6.84 Si16 Y13.16 -","4","0.5","","Rodewald, U.C.; Heying, B.; Poettgen, R.; Johrendt, D.; Hoffmann, R.D.","Ternary rare earth metal silicides RE2 RE'3 Si4 with orthorhombic Sm5 Ge4 or tetragonal Zr5 Si4 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","174","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","165055","2020-10-21","18:00:00",""
"7222809","8.2","","8.2","","6.142","","90","","90","","120","","357.658","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Lu5 Si3 -","- Lu5 Si3 -","- Lu10 Si6 -","2","0.0833333","","Rodewald, U.C.; Heying, B.; Poettgen, R.; Johrendt, D.","On the silicides Eu Ir2 Si2 and Lu5 Si3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222811","4.074","","4.074","","10.108","","90","","90","","90","","167.767","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Eu Ir2 Si2 -","- Eu Ir2 Si2 -","- Eu2 Ir4 Si4 -","2","0.0625","","Rodewald, U.C.; Johrendt, D.; Heying, B.; Poettgen, R.","On the silicides Eu Ir2 Si2 and Lu5 Si3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222820","13.728","","6.8751","","18.602","","90","","101.854","","90","","1718.24","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Er2 (Se O4)3 (H2 O)8","","- Er2 H16 O20 Se3 -","- Er2 O20 Se3 -","- Er8 O80 Se12 -","4","0.5","","Kruegermann, I.; Wickleder, M.S.","Crystal structure and thermal behaviour of Er2 (Se O4)3.8H2 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","958","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222828","3.8895","","11.21","","10.964","","90","","92.57","","90","","477.564","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N H4 (H2 N C (O) N C N)","","- C2 H6 N4 O -","- C2 H6 N4 O -","- C8 H24 N16 O4 -","4","1","","von Lotsch, B.; Schnick, W.","Crystal Structure and Thermal Solid-State Reactivity of Ammonium Cyanoureate N H4 [H2 N C (=O) N C N]","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","1229","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223707","7.4392","","14.977","","15.4008","","90","","90","","90","","1715.91","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Sc O H ((C H3) S O3)2","","- C2 H7 O7 S2 Sc -","- C2 O7 S2 Sc -","- C16 O56 S16 Sc8 -","8","2","","Wickleder, M.S.; Mueller, I.","Sc O H (C H3 S O3)2, a basic methanesulfonate of scandium with chain structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223715","6.4635","","7.6048","","11.8672","","90","","119.993","","90","","505.202","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","((C H3)2 (H3 B) P2 (B H3) (C H3)2)","","- C4 H18 B2 P2 -","- C4 H18 B2 P2 -","- C8 H36 B4 P4 -","2","0.5","","Mueller, G.; Brand, J.","The low-temperature polymorph of tetramethyldiphosphine- bis(monoborane): insight into the stabilization of different rotational isomers in the solid state","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2004","59","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","173412","2020-10-21","18:00:00",""
"8000212","7.3178","","14.392","","7.7401","","90","","100.08","","90","","802.587","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(Ge5 O10) (H2 O)","","- Ge5 H2 O11 -","- Ge5 O11 -","- Ge20 O44 -","4","0.5","","Xu Yan; Uehara, K.; Fan Wei; Chino, N.; Hikishi, S.; Mizuno, N.; Ogura, H.; Okubo, T.","The hydrothermal synthesis and crystal structure of (H2 O) [Ge5 O10] and [(C H3)4 N] [Ge10 O20 O H], two novel porous germanates","Chemistry Letters","2004","33","","74","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8000226","7.095","","5.423","","9.24","","90","","98.73","","90","","351.401","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","Ce (H3 O)0.5 (S O4)1.5 (H S O4)0.5","","- Ce H2 O8.5 S2 -","- Ce O8.5 S2 -","- Ce2 O17 S4 -","2","1","","Yu Ranbo; Wang Dan; Ishiwata, S.; Xing Xianran; Chen Yunfa; Saito, T.; Takano, M.","A novel open-framework cerium sulfate hydrate: Synthesis and characterization","Chemistry Letters","2004","2004","","1186","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8100000","7.4748","0.0015","9.1706","0.0018","15.536","0.003","80.88","0.03","89.91","0.03","81.24","0.03","1039","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N3 O -","- C10 H12 N3 O -","- C40 H48 N12 O4 -","4","2","","Li, Hui; Jin, Qiong-Hua; Yu, Shu-Yan; Ma, Hong-Wei; Li, Yan","Crystal structure of 4-(4-pyridil)-3,5-dimethylpyrozole hydrate, (C~5~H~4~N)CH~3~(C~3~N~2~H)CH~3~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","13","14","10.1524/ncrs.2004.219.1.13","","","","","","","","","","","","","","","","","","","","","has coordinates","262036","2021-02-17","10:54:34",""
"8100001","25.707","0.001","14.768","0.001","18.312","0.001","90","","132.3","0.05","90","","5142","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1-benzoyl-2picoloyl-hydrazine nickel(II) complex","","","- C26.25 H20.5 Cl0.5 N6 Ni O4 -","- C26.25 H20.5 Cl0.5 N6 Ni O4 -","- C210 H164 Cl4 N48 Ni8 O32 -","8","1","","Dieng, Moussa; Gaye, Mohamed; Sall, Abdou S.; Welter, Richard","Crystal structure of bis(1-benzoyl-2-picoloyl-hydrazinato)nickel(II) ‒ methylene chloride solvate (1:0.25), Ni[OC(C~6~H~5~)NHN(C~5~H~4~N) CO)]~2~ · 0.25 CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","15","16","10.1524/ncrs.2004.219.1.15","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","262037","2021-02-17","11:18:03",""
"8100002","9.9829","0.0008","15.6045","0.0012","16.9665","0.0014","90","","97.154","0.001","90","","2622.4","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Cu N2 O12 -","- C30 H18 Cu N2 O12 -","- C120 H72 Cu4 N8 O48 -","4","0.5","","Hu, Mao-Lin; Shi, Qian; Xiao, Hong-Ping; Chen, Fan","Crystal structure of 1,10-phenanthrolinecopper(II) bis(dihydrogen- 1,3,5-benzenetricarboxylate), Cu(C~12~H~8~N~2~)(C~9~H~5~O~6~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","17","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8100003","10.319","0.004","10.275","0.007","11.314","0.01","103.01","0.02","96.4","0.02","64.37","0.03","1053.7","0.8","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 N O4 S2 -","- C24 H19 N O4 S2 -","- C48 H38 N2 O8 S4 -","2","1","","Khediri, Lamia; Rzaigui, Mohamed; Heynderickx, Arnault; Corval, Anne; Casalegno, Roger","Crystal structure of 2-(2',4'-diphenylsulfonylbenzyl)pyridine, C~24~H~19~NO~4~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","21","22","10.1524/ncrs.2004.219.14.21","","","","","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"8100004","10.1598","0.0002","13.866","0.0005","14.7308","0.0003","79.595","0.001","86.006","0.002","87.997","0.002","2035.6","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H41 Cl P2 Pt Se -","- C48 H41 Cl P2 Pt Se -","- C96 H82 Cl2 P4 Pt2 Se2 -","2","1","","Hannu-Kuure, Milja S.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgren, Markku","Crystal structure of chlorido(phenylselenolato)bis(triphenylphosphine) platinum(II) ‒ benzene (1:1), Pt(C~6~H~5~Se)(C~18~H~15~P)~2~Cl · C~6~H~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","23","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100005","11.3252","0.0018","7.9588","0.0011","16.664","0.003","90","","90","","90","","1502","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 Ni O6 -","- C14 H14 Co N2 O6 -","- C56 H56 Co4 N8 O24 -","4","0.5","","Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel","Crystal structure of diaqua-bis(pyridine)-μ~2~-squarato(1,3)- cobalt(II), Co(C~4~O~4~)(C~5~H~5~N)~2~(H~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","29","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100006","7.5217","0.0018","9.754","0.003","11.349","0.003","108.87","0.03","96.53","0.03","111.55","0.03","706.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cu N4 O7 -","- C11 H14 Cu N4 O7 -","- C22 H28 Cu2 N8 O14 -","2","1","","Altin, Ergün; Kirchmaier, Ralph; Lentz, Axel","Crystal structure of (2-aminopyrimidine)-(pyridine-2,6-dicarboxylato)- copper(II) trihydrate, Cu(C~4~H~5~N~3~)(C~7~H~3~NO~4~) · 3 H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","35","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100007","8.279","0.003","16.998","0.006","11.812","0.004","90","","93.599","0.007","90","","1659","1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N2 -","- C42 H36 N2 -","- C84 H72 N4 -","2","0.5","","Yu, Ming-Xin","Crystal structure of N,N,N',N'-tetra-m-tolyl-anthracene-9,10-diamine, C~42~H~36~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","61","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100008","17.816","0.001","8.3131","0.0007","5.9366","0.0005","90","","93.061","0.006","90","","878","0.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sodium p-azidobenzenesulfonate","","","- C6 H4 N3 Na O3 S -","- C6 H4 N3 Na O3 S -","- C24 H16 N12 Na4 O12 S4 -","4","1","","Biesemeier, Frank; Harms, Klaus; Müller, Ulrich","Crystal structure of sodium 4-azidobenzenesulfonate, Na[N~3~C~6~H~4~SO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","37","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100009","7.018","0.001","27.193","0.005","7.089","0.001","90","","92.01","0.02","90","","1352","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sodium p-azidobenzenesulfonate pentahydrate","","","- C6 H14 N3 Na O8 S -","- C6 H14 N3 Na O8 S -","- C24 H56 N12 Na4 O32 S4 -","4","1","","Biesemeier, Frank; Harms, Klaus; Müller, Ulrich","Crystal structure of bis(μ~2~-aqua)diaquasodium 4-azido-benzenesulfonate monohydrate, Na(H~2~O)~4~[N~3~C~6~H~4~SO~3~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","39","40","10.1524/ncrs.2004.219.14.39","","","","","","","","","","","","","","","","","","","","","has coordinates","200403","2020-10-21","18:00:00",""
"8100010","7.9823","0.0011","12.0284","0.0015","15.721","0.0017","90","","90","","90","","1509.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O6 Zn -","- C14 H14 N2 O6 Zn -","- C56 H56 N8 O24 Zn4 -","4","0.5","","Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel","Crystal structure of diaqua-bis(pyridine)-μ~2~-squarato(1,3)- zinc(II), Zn(C~4~O~4~)(C~5~H~5~N)~2~(H~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","31","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100011","10.4","0.004","10.584","0.004","11.093","0.004","81.437","0.006","88.599","0.006","67.888","0.005","1117.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N3 O9 Sm -","- C22 H14 N3 O9 Sm -","- C44 H28 N6 O18 Sm2 -","2","1","","Li, Xia; Zou, Ying-Quan; Song, Hai-Bin","Crystal structure of di(1,10-phenanthroline-N,N')di[μ-(2-furancarboxylato- O,O')-μ-(2-furancarboxylato- O,O':O']di(nitrato)disamarium(III), Sm~2~(NO~3~)~2~(C~5~H~3~O~3~)~4~(C~12~H~8~N~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","26","28","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100012","9.2143","0.0019","18.47","0.004","10.194","0.002","90","","113.451","0.004","90","","1591.6","0.6","446","2","446","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of (2SR,1'RS)-3-(1-naphthyl)-2-(2-oxocyclopentyl)- propionic acid methyl ester, C~19~H~20~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","47","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100013","6.6176","0.0011","27.538","0.005","14.951","0.003","90","","98.768","0.004","90","","2692.7","0.8","153","","153","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(1aSR,5bRS,7aSR,10aRS,10bSR,10cRS)-1a,5b,6,7,7a,8,9,10,10b,10c- Decahydro-10aH-cyclopenta[1,2]phenanthro[9,10-b]oxiren-10a-ol","","","- C34 H40 O4 -","- C34 H40 O4 -","- C136 H160 O16 -","4","1","","Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of (1a SR,5b RS,7a SR,10a RS,10b SR,10c RS)-1a,5b, 6,7,7a,8,9,10,10b,10c-decahydro-10a H-cyclopenta[1,2]- phenanthro [9,10-b]oxiren-10a-ol, C~17~H~20~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","49","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100014","21.37","0.004","5.6424","0.0011","23.686","0.005","90","","104.346","0.005","90","","2767","0.9","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","1","","Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of 1-isopropyl-15-oxatetracyclo-[11.2.1.02,11.05, 10]hexadeca-3,5(10),6,8-tetraen-14-one, C~18~H~20~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","51","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100015","9.6435","0.0013","8.75","0.0011","16.666","0.002","90","","103.733","0.002","90","","1366.1","0.3","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N O2 -","- C15 H22 N O2 -","- C60 H88 N4 O8 -","4","1","","Gross, S.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of (2RS,4SR,4aSR)-1-acetyl-2-(1-methylethyl)-4-hydroxy- 4-methyl-1,2,3,4,4a,7-hexahydroquinoline, C~15~H~22~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","53","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100016","8.399","0.002","17.386","0.005","9.043","0.002","90","","113.872","0.004","90","","1207.6","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","","Gross, S.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of (4SR,4aSR)-1-acetyl-4-hydroxy-4,8-dimethyl-1, 2,3,4,4a,7-hexahydroquinoline, C~13~H~19~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","55","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100017","10.597","0.002","12.684","0.003","9.79","0.002","90","","104.466","0.004","90","","1274.3","0.5","446","2","446","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Gross, S.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of (9aRS,10SR,10aRS)-8-methoxy-10-methyl-1,2,3,5, 7,9a,10,10a-octahydro pyrrolo-[1,2- b]isoquinoline-10-ol, C~14~H~21~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","57","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","200404","2020-10-21","18:00:00",""
"8100018","12.93","0.004","18.094","0.006","13.655","0.004","90","","114.004","0.015","90","","2918.3","1.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl2 N2 O Ru -","- C32 H42 Cl2 N2 O Ru -","- C128 H168 Cl8 N8 O4 Ru4 -","4","1","","Arslan, Hakan; Vanderveer, Donald; Özdemir, Ismail; Cetinkaya, Bekir; Yasar, Sedat","Crystal structure of dichlorido(N-(biphenyl-2-ylmethyl)-N-(2-ethoxyethyl)]- imidazolidin-2-ylidene(η^6^-hexa- methylbenzene)ruthenium, Ru(C~12~H~18~)(C~20~H~24~N~2~O)Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","44","46","10.1524/ncrs.2004.219.14.44","","","","","","","","","","","","","","","","","","","","","has coordinates","210095","2020-10-21","18:00:00",""
"8100019","12.286","0.0012","7.5947","0.0007","17.9245","0.0017","90","","100.007","0.002","90","","1647.1","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Co2 N4 O16 -","- C30 H34 Co2 N4 O16 -","- C60 H68 Co4 N8 O32 -","2","0.5","","Hu, Mao-Lin; Xiao, Hong-Ping; Yuan, Ji-Xin; Li, Xin-Hua","Crystal structure of bis[triaqua(2,2-bipyridine)cobalt(II)] 1,2,4, 5-benzenetetracarboxylate dihydrate, [Co~2~(C~10~H~8~N~2~)~2~(H~2~O) ~6~(C~10~H~2~O~8~)] · 2 H2O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","19","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8100020","8.965","0.003","19.797","0.007","10.44","0.004","90","","101.78","0.006","90","","1813.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cu N2 O5 -","- C20 H20 Cu N2 O5 -","- C80 H80 Cu4 N8 O20 -","4","1","","Ma, Ai-Qing; Yu, Ming-Xin; Zhu, Long-Guan","Crystal structure of (μ~2~-1,4-cyclohexanedicarboxylato)(1,10- phenanthroline)-copper(II) monohydrate, Cu(C~12~H~8~N~2~)(C~8~H~10~O~4~) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","63","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100021","16.631","0.003","11.155","0.002","13.096","0.003","90","","125.08","0.03","90","","1988.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Cu N2 O12 -","- C14 H26 Cu N2 O12 -","- C56 H104 Cu4 N8 O48 -","4","0.5","","Ying, Er-Bo; Zheng, Yue-Qing; Zhou, Qing-Qing","Crystal structure of tetraaqua(4,4'-bipyridine-N,N')copper(II) fumarate tetrahydrate, Cu(H~2~O)~4~(C~10~H~8~N~2~)(C~4~H~2~O~4~) · 4 H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","65","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100022","7.1883","0.0014","11.331","0.002","7.2371","0.0015","90","","91.38","0.02","90","","589.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N2 O8 Zn -","- C8 H12 N2 O8 Zn -","- C16 H24 N4 O16 Zn2 -","2","0.5","","Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel","Crystal structure of tetraaqua-μ~2~-pyrazine-zinc(II) squarate, [Zn(H~2~O)~4~(C~4~H~4~N~2~)](C~4~O~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","33","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100023","15.9227","0.0006","16.6085","0.0005","39.822","0.002","90","","90","","90","","10531.1","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 N3 O3 P S -","- C30 H24 N3 O3 P S -","- C480 H384 N48 O48 P16 S16 -","16","2","","Biesemeier, Frank; Harms, Klaus; Müller, Ulrich","Crystal structure of tetraphenylphosphonium 4-azido-benzenesulfonate, P(C~6~H~5~)~4~[N~3~C~6~H~4~SO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","41","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100024","23.218","0.004","14.748","0.002","12.094","0.002","90","","90.986","0.004","90","","4140.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N O -","- C29 H19 N O -","- C232 H152 N8 O8 -","8","2","","Yu, Ming-Xin","Crystal structure of 3-diphenylamino-benzo[de]anthracen-7-one, C~29~H~19~NO","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","114","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100025","14.048","0.004","4.7256","0.0001","21.491","0.006","90","","99.1","0.01","90","","1409.8","","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 N8 Ni O2 -","- C34 H30 N8 Ni O2 -","- C68 H60 N16 Ni2 O4 -","2","0.5","","Haberroth, K.; Hanack, M.; Maichle-Mössmer, C.","Crystal structure of [9,22-(bisbutyloxy)hemiporphyrazinato]nickel(II), C~34~H~30~N~8~O~2~Ni","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","127","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100026","13.885","0.002","13.885","0.002","14.833","0.003","90","","90","","90","","2859.8","0.9","446","2","446","2","","","","","","","","3","P 42/n :2","-P 4bc","86","cis-(5E)-phenylmethylidenedecahydro-4aH-benzo[a]cyclohepten-4a-ol","","","- C18 H24 O -","- C18 H24 O -","- C144 H192 O8 -","8","1","","Hölemann, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of cis-(5 E)-phenylmethylidene-decahydro-4a H-benzo [a]-cyclohepten-4a-ol, C~18~H~24~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","59","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100027","11.304","0.008","7.775","0.008","13.451","0.009","90","","113.98","0.05","90","","1080.2","1.5","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 -","- C13 H14 N2 -","- C52 H56 N8 -","4","1","","Polamo, Mika; Talja, Markku","Crystal structure of 2-(2,3-dimethylphenylamino)pyridine, C~13~H~14~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","67","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100028","11.892","0.006","7.57","0.007","13.309","0.007","90","","112.65","0.03","90","","1105.7","1.4","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 -","- C13 H14 N2 -","- C52 H56 N8 -","4","1","","Talja, Markku; Polamo, Mika","Crystal structure of 2-[(2-ethyl)phenylamino]pyridine, C~13~H~14~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","69","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100029","23.5809","0.0014","13.7153","0.0008","17.1823","0.001","90","","125.554","0.001","90","","4521.1","0.5","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 Au O P S2 -","- C23 H24 Au O P S2 -","- C184 H192 Au8 O8 P8 S16 -","8","1","","Ho, S. Y.; Tiekink, E. R. T.","Crystal structure of (O-ethyldithiocarbonato)(triphenylphosphine)gold (I), (C~6~H~5~)~3~PAu(S~2~COC~4~H~9~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","71","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100030","8.5243","0.001","9.8224","0.0011","13.8147","0.0016","73.492","0.002","86.641","0.002","88.638","0.002","1107.1","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Au N P S2 -","- C23 H23 Au N P S2 -","- C46 H46 Au2 N2 P2 S4 -","2","1","","Ho, S. Y.; Tiekink, E. R. T.","Crystal structure of (triphenylphosphine)(pyrrolinedithiocarbamato) gold(I), (C~6~H~5~)~3~PAu(S~2~CNC~4~H~8~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","73","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100031","8.24","0.001","11.493","0.001","12.9","0.002","90","","92.11","0.01","90","","1220.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NaCs[B~4~O~5~(OH)~4~].4H~2~O","","","- B4 Cs H12 Na O13 -","- B4 Cs H12 Na O13 -","- B16 Cs4 H48 Na4 O52 -","4","1","","Zhou, J.-G. Lanz; Zhao, F.-Y.; Xia, S.-P.; Yang, L.; Lu, Y.; Wang, J.-J.; Gao, S.-Y.","Crystal structure of sodium caesium tetrahydrogen-tetraborate tetrahydrate, NaCs[B~4~O~5~(OH)~4~] · 4 H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","1","2","10.1524/ncrs.2004.219.14.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100032","3.858","0.002","10.77","0.002","14.325","0.003","90","","90","","90","","595.2","0.4","293","","293.15","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Bi Zr -","- Bi Zr -","- Bi12 Zr12 -","12","0.75","","Boström, Magnus; Prots, Yurii; Grin, Yuri","Refinement of the crystal structure of zirconium monobismuthide, ZrBi","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","3","4","","","","","","","","","","","","","","","","2.96","2.96","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100033","5.4171","0.0006","14.774","0.004","5.584","0.002","90","","90","","90","","446.9","0.2","294.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 Fe1.66 O5 V0.34 -","- Ca2 Fe1.66 O5 V0.34 -","- Ca8 Fe6.64 O20 V1.36 -","4","0.5","","Harringer, N. A.; Presslinger, H.; Klepp, K. O.","Crystal structure of a mixed dicalcium ferrite, Ca~2~Fe~1.66~V~0.34~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","5","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100034","7.8226","0.0016","16.812","0.003","17.299","0.003","90","","90","","90","","2275.1","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","thallium-pentabromopalladate","","","- Br5 Pd Tl3 -","- Br5 Pd Tl3 -","- Br40 Pd8 Tl24 -","8","1","","Heines, Peter; Duchâteau, Manfred; Keller, Hans-Lothar","Crystal structure of trithallium-pentabromopalladate(II), Tl~3~PdBr~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","7","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100035","8.8287","0.0002","8.8287","0.0002","11.4264","0.0003","90","","90","","90","","890.64","0.04","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","di(tetramethylammonium)tetrachloropallate(II)","","","- C8 H24 Cl4 N2 Pd -","- C8 H24 Cl4 N2 Pd -","- C16 H48 Cl8 N4 Pd2 -","2","0.125","","Heines, Peter; Keller, Hans-Lothar","Crystal structure of di(tetramethylammonium)tetrachloropalladate(II), [N(CH~3~)~4~]~2~[PdCl~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","9","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100036","8.6447","0.0004","8.6447","0.0004","25.787","0.002","90","","90","","90","","1927.1","0.2","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C12 B9 La10 -","- C12 B9 La10 -","- C48 B36 La40 -","4","0.5","","Babizhetskyy, Volodymyr; Mattausch, Hansjürgen; Simon, Arndt","Crystal structure of lanthanum borocarbide, La~10~B~9~C~12~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","11","12","","","","","","","","","","","","","","","","1.1","1.1","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100037","17.4185","0.0015","10.6391","0.0009","17.4453","0.0015","90","","90","","90","","3232.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","gymnorrhizol","","","- C9 H18 O3 S6 -","- C9 H18 O3 S6 -","- C72 H144 O24 S48 -","8","1","","Sun, Yan-Qiu; Zahn, Gernot; Guo, Yue-Wei","Crystal structure of 1,2,6,7,11,12-hexathia-cyclopentadecane-4,9,14- triol, C~9~H~18~O~3~S~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","121","123","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100038","10.0279","0.0002","11.1076","0.0003","17.0856","0.0004","90","","105.522","0.001","90","","1833.68","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","2","","Chaichantipyuth, C.; Muangsin, N.; Chaichit, N.; Roengsumran, S.; Petsom, A.; Watanabe, T.; Ishikawa, T.","Crystal structure of (‒)-hardwickiic acid, C~19~H~27~OCOOH","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","111","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100040","11.89","0.003","7.9087","0.0015","14.664","0.004","90","","90","","90","","1378.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N4 Ni O6 -","- C10 H12 N4 Ni O6 -","- C40 H48 N16 Ni4 O24 -","4","0.5","","Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel","Crystal structure of diaqua-bis(pyrazole)-μ~2~-squarato(1,3) nickel(II), Ni(C~4~O~4~)(C~3~H~4~N)~2~(H~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","135","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100042","6.517","0.001","9.774","0.001","10.466","0.001","80.19","0.01","89.84","0.01","71.37","0.01","621.53","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H32 Er2 O22 -","- C12 H32 Er2 O22 -","- C12 H32 Er2 O22 -","1","0.5","","Sun, Jie; Zheng, Yue-Qing; Lin, Jian-Li","Crystal structure of tetraaquatrisuccinatodierbium hexahydrate, Er~2~ (H~2~O)~4~(C~4~H~4~O~4~)~3~ · 6H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","99","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100043","15.7454","0.0006","7.9119","0.0003","22.3267","0.0009","90","","96.15","0.002","90","","2765.36","0.19","293","2","273","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C62 H50 Cu2 N14 O9 -","- C62 H50 Cu2 N14 O9 -","- C124 H100 Cu4 N28 O18 -","2","0.5","","Ye, Ming-De; Cheng, Ya-Qian; Li, Xin-Hua; Hu, Mao-Lin","Crystal structure of bis[di(1,10-phenanthroline)azidocopper(II)] biphenyl-4,4'- dicarboxylate pentahydrate, [Cu(C~12~H~8~N~2~)~2~N~3~]~2~(C~14~H~8~O~4~) · 5H~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","165","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8100044","10.5575","0.0017","13.448","0.002","21.814","0.004","90","","92.314","0.004","90","","3094.7","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N6 O P -","- C15 H15 N6 O P -","- C120 H120 N48 O8 P8 -","8","2","","Gholivand, Khodayar; Alavi, Maryam Daneshvar; Pourayoubi, Mehrdad","Crystal structure of N,N',N''-tris(2-pyridinyl)phosphoric triamide, (NC~5~H~4~NH)~3~PO","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","124","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100045","7.033","0.004","14.768","0.009","10.377","0.006","90","","96.026","0.009","90","","1071.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Chen, Sheng-Hui; Li, Sheng-Fang; Zou, Ying; Yang, Li; Chen, Bo; Zhu, Hai-Liang","Crystal structure of 1,3-di[2-(4,5-dihydrooxazole)]benzene, C~12~H~12~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","153","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100046","7.004","0.001","8.696","0.002","11.006","0.002","68.95","0.03","76.49","0.03","81.9","0.03","607.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Ag As F6 N12 -","- C16 H20 Ag As F6 N12 -","- C16 H20 Ag As F6 N12 -","1","0.5","","Yang, Hai-Lang; Yang, Song; Qiu, Xiao-Yang; Shao, Si-Chang; Ma, Ji-Long; Sun, Lin; Zhu, Hai-Liang","Crystal structure of bis(2-aminopyrimidine)silver(I) hexafluoroarsenate bis(2-aminopyrimidine) solvate, [Ag(C~4~H~5~N~3~)~2~]AsF~6~ · 2C~4~H~5~N~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","157","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100047","10.7723","0.0009","11.7128","0.0008","33.392","0.003","90","","90","","90","","4213.2","0.6","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 Fe N4 O6 -","- C42 H66 Fe N4 O6 -","- C168 H264 Fe4 N16 O24 -","4","1","","Nöth, Heinrich; Beck, Wolfgang; Dialer, H.; Habereder, T.","Crystal structure of (2R,2'R,5R,5'R)-1,1'-bis[1-(2-tert-butyl-1-carboxy- tert-butyl-3-methyl-4-oxo-imidazolidine-5-yl)-1-methyl]ferrocene, Fe(C~21~H~33~N~2~O~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","132","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100048","5.8076","0.0014","15.541","0.003","11.962","0.003","90","","92.79","0.03","90","","1078.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cu2 N6 O8 -","- C36 H36 Cu4 N8 O24 -","- C36 H36 Cu4 N8 O24 -","1","0.25","","Altin, Ergün; Kirchmaier, Ralph; Lentz, Axel","Crystal structure of diaqua-bis(pyridine-2,6-dicarboxylato-O,N,O')- (μ~2~-pyrazino)dicopper(II) dihydrate, [Cu~2~(C~4~H~4~N~2~) (C~7~H~3~NO~4~)~2~(H~2~O)~2~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","137","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100049","18.956","0.004","8.161","0.002","22.151","0.003","90","","114.53","0.02","90","","3117.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-methyl-5-formyl-imidazolfuranoylhydrazone praseodymium(III) complex","","","- C20 H24 N11 O15 Pr -","- C20 H24 N11 O15 Pr -","- C80 H96 N44 O60 Pr4 -","4","1","","Haba, Pepe Marcel; Gaye, Mohamed; Sall, Abdou S.; Barry, Aliou H.; Jouini, Tahar","Crystal structure of aquabis(4-methyl-5-formyl-imidazolfuranoylhydrazone)- (trinitrato)praseodymium(III) monohydrate, Pr(H~2~O)(C~9~H~10~O~2~N~4~) ~2~(NO~3~)~3~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","106","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8100050","7.3","0.001","11.985","0.001","13.19","0.001","88.15","0.01","78.68","0.01","78.62","0.01","1109.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cu N5 O4 -","- C25 H19 Cu N5 O4 -","- C50 H38 Cu2 N10 O8 -","2","1","","Kaizer, József; Pap, József; Speier, Gábor; Párkányi, László","Crystal structure of aqua[1,3-bis(2-pyridylimino)isoindolinato](salicylato) copper(II), Cu(C~7~O~3~H~4~)(C~18~H~12~N~5~)(H~2~O)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","141","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100051","5.637","0.0013","14.748","0.004","17.913","0.004","86.663","0.005","82.988","0.004","83.742","0.004","1467.7","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,2,6,7,11,12-hexathiolane","","","- C9 H18 S6 -","- C9 H18 S6 -","- C36 H72 S24 -","4","2","","Sun, Yan-Qiu; Sun, Jie; Guo, Yue-Wei","Crystal structure of 1,2,6,7,11,12-hexathia-cyclopentadecane, C~9~H~18~S~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","119","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100052","3.807","0.003","11.551","0.01","16.207","0.014","74.172","0.013","84.746","0.013","89.885","0.013","682.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Ag2 N6 O10 -","- C24 H24 Ag2 N6 O10 -","- C24 H24 Ag2 N6 O10 -","1","0.5","","Ma, Ji-Long; Zou, Ying; Meng, Fan-Jin; Lin, Yong-Shan; Wang, Zao-Gui; Zhu, Hai-Liang","Crystal structure of bis(4-aminopyridine)silver(I) bis(3-nitrobenzoato) silver(I) dihydrate, Ag(C~5~H~6~N~2~)~2~[Ag(C~7~H~4~NO~4~)~2~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","159","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100053","9.236","0.004","21.102","0.009","12.987","0.006","90","","97.638","0.006","90","","2508.8","1.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cd N4 O6 -","- C22 H34 Cd N4 O6 -","- C88 H136 Cd4 N16 O24 -","4","1","","Yang, Song; Liu, Qiong-Xin; Zeng, Wei-Jie; Zou, Ying; Wang, Zao-Gui; Zhu, Hai-Liang","Crystal structure of bis[N-(2-(2-hydroxyethylamino)ethyl)salicylidene- imine]cadmium(II) dihydrate, Cd(C~11~H~17~N~2~O~2~)~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","155","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100054","8.2666","0.0006","23.2294","0.0015","13.7531","0.0009","90","","102.329","0.0013","90","","2580.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 O8 S Zn2 -","- C22 H30 N4 O8 S Zn2 -","- C88 H120 N16 O32 S4 Zn8 -","4","1","","Qiu, Xiao-Yang; Liu, Qiong-Xin; Wang, Zao-Gui; Lin, Yong-Shan; Zeng, Wei-Jie; Fun, Hoong-Kun; Zhu, Hai-Liang","Crystal structure of sulfatobis{2-[N-(2-hydroxyethylaminoethyl)iminomethyl] phenolatozinc(II)}, [(ZnC~11~H~15~N~2~O~2~)~2~SO~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","150","152","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8100055","6.5126","0.0007","10.4988","0.0012","12.635","0.0014","87.818","0.002","79.141","0.002","86.737","0.002","846.74","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tetra(5'-methyl-2'-thienyl)porphyrin","","","- C40 H30 N4 S4 -","- C39.98 H30 N4 S3.996 -","- C39.98 H30 N4 S3.996 -","1","0.5","","Belizzi, Mary; Foss, Paul C. D.; Pelto, Ryan; Crundwell, Guy; Brückner, Christian; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D.","Crystal structure of 5,10,15,20-tetrakis(5'-methylthien-2'-yl)porphyrin, C~40~H~30~N~4~S~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","129","131","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277875","2022-09-15","11:59:40",""
"8100056","27.927","0.011","7.208","0.003","21.083","0.008","90","","90","","90","","4244","3","298","2","298","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C46 H37 Ag Cl2 F4 N4 O4 -","- C46 H37 Ag Cl2 F4 N4 O4 -","- C184 H148 Ag4 Cl8 F16 N16 O16 -","4","0.5","","Ma, Ji-Long; Yang, Li; Chen, Bo; Zou, Ying; Meng, Fan-Jin; Zhu, Hai-Liang","Crystal structure of bis[N,N'-bis(2-fluorobenzylidene)ethylenediamine] silver(I) 4-chlorobenzoate 4-chlorobenzoic acid, Ag(C~16~H~14~N~2~F~2~) ~2~(C~14~H~9~O~2~Cl~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","161","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100057","15.705","0.002","12.083","0.0016","9.3684","0.0013","90","","102.404","0.003","90","","1736.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O3 S -","- C18 H17 N3 O3 S -","- C72 H68 N12 O12 S4 -","4","1","","Ramazani, Ali; Marandi, Farzin; Souldozi, Ali; Jalilian, Amir Reza","Crystal structure of {1-benzyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}-methanol, C~18~H~17~N~3~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","173","174","10.1524/ncrs.2004.219.2.173","","","","","","","","","","","","","","","","","","","","","has coordinates","256939","2020-10-21","18:00:00",""
"8100058","7.3662","0.0014","8.8837","0.0017","11.242","0.002","68.64","0.004","81.328","0.004","85.05","0.004","676.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C30 H30 N2 O10 -","2","1","","Ramazani, Ali; Dolatyari, Leila; Kazemizadeh, Ali Reza; Souldozi, Ali","Crystal structure of dimethyl 1-acetyl-1,2-dihydro-2,3-quinolinedicarboxylate, C~15~H~15~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","175","176","10.1524/ncrs.2004.219.2.175","","","","","","","","","","","","","","","","","","","","","has coordinates","256938","2020-10-21","18:00:00",""
"8100059","8.0561","0.0004","11.766","0.001","14.859","0.001","75.539","0.003","84.98","0.005","82.435","0.005","1349.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 Cu F6 N3 O8 S2 -","- C20 H25 Cu F6 N3 O8 S2 -","- C40 H50 Cu2 F12 N6 O16 S4 -","2","1","","Selmeczi, Katalin; Speier, Gábor; Réglier, Marius; Giorgi, Michel","Crystal structure of [N,N-bis(2-[2-pyridyl]ethyl)-2-(2-aminoethoxy) ethanol]copper(II) bis(trifluoromethanesulfonate), (CuC~18~H~25~N~3~O~2~) (F~3~CSO~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","143","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100060","9.1432","0.0004","17.8251","0.0008","10.1994","0.0005","90","","99.226","0.002","90","","1640.78","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N2 O5 -","- C18 H18 Cu N2 O5 -","- C72 H72 Cu4 N8 O20 -","4","1","","Ma, Ai-Qing; Yu, Ming-Xin; Zhu, Long-Guan","Crystal structure of (1,4-cyclohexanedicarboxylato)(2,2'-bipyridine) copper(II) monohydrate, Cu(C~8~H~10~O~4~)(C~10~H~8~N~2~) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","117","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100061","7.7531","0.0016","11.403","0.003","12.371","0.005","64.101","0.018","84.62","0.02","77.335","0.016","960","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 S8 -","- C14 H10 N2 S8 -","- C28 H20 N4 S16 -","2","1","","Xue, Gang; Yu, Wen-Tao; Fang, Qi","Crystal structure of 2,3-bis(2-cyanoethylthio)-6,7- vinylenedithiotetrathiafulvalene, C~14~H~10~N~2~S~8~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","171","172","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","106806","2020-10-21","18:00:00",""
"8100062","19.06","0.004","35.937","0.007","10.5708","0.0019","90","","90","","90","","7241","3","110","2","110","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C20 H18 O8 -","- C20 H18 O8 -","- C320 H288 O128 -","16","1","","Ramazani, Ali","Crystal structure of dimethyl 1,1-diacetyl-8a-hydroxy-8-oxo-1,2,8, 8a-tetrahydrocyclopenta[a]indene-2,3-dicarboxylate, C~20~H~18~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","177","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100063","18.37","0.004","4.8704","0.0013","24.616","0.002","90","","90","","90","","2202.4","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C88 H88 N8 O32 -","8","2","","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Lopes, Susana H.; Cabral, Ana M. T. D. P. V.; Rocha Gonsalves, A. M. d'A.; Sobral, Abilio J. F. N.","Crystal structure of 2-hydroxyimino-3-oxo-3-phenyl-propionic acid ethyl ester, C~11~H~11~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","145","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100064","8.0682","0.0016","9.6792","0.0019","16.961","0.003","90","","101.69","0.03","90","","1297.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","1","","Ramazani, Ali; Marandi, Farzin; Ahmadi, Ebrahim; Morsali, Ali","Crystal structure of dimethyl (Z)-2(1,3-dioxo-1,3-di-hydro-2H-isoindol- 2-yl)-2-butenedioate, C~14~H~11~NO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","179","180","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8100065","5.667","0.001","16.915","0.003","19.694","0.004","90","","90.38","0.03","90","","1887.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Ag4 N8 O26 -","- C28 H16 Ag4 N8 O26 -","- C56 H32 Ag8 N16 O52 -","2","0.5","","Xia, Jun; Wang, Zao-Gui; Yang, Li; Tang, Lu-Lu; Zhu, Hai-Liang","Crystal structure of diaquatetra(3,5-dinitrobenzoato)tetrasilver(I), Ag~4~(C~7~H~3~N~2~O~6~)~4~(H~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","163","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100066","13.8648","0.0007","17.1789","0.0009","14.1938","0.0007","90","","104.525","0.001","90","","3272.7","0.3","298","2","273","2","","","","","heated to 428 K for three days","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co2 N4 O9 -","- C36 H26 Co2 N4 O9 -","- C144 H104 Co8 N16 O36 -","4","1","","Hu, Mao-Lin; Yuan, Ji-Xin; Ye, Ming-De; Xiao, Hong-Ping","Crystal structure of catena-bis-μ-terephthalato[2,2'-bipyridinecobalt (II)][aqua-2,2'-bipyridinecobalt(II)], Co~2~(C~8~H~4~O~4~)~2~(C~10~H~8~N~2~) ~2~(H~2~O)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","168","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8100067","11.128","0.005","12.548","0.005","13.42","0.005","87.523","0.005","84.819","0.005","64.188","0.005","1680","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 O6 P -","- C41 H37 O6 P -","- C82 H74 O12 P2 -","2","1","","Ramazani, Ali; Dolatyari, Leila; Kazemizadeh, Ali Reza; Ahmadi, Ebrahim; Torabi, Ali Asgar; Welter, Richard","Crystal structure of diethyl 2-(dibenzoylmethyl)-3-(triphenylphosphoranylidene) succinate, C~41~H~37~O~6~P","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","181","183","10.1524/ncrs.2004.219.2.181","","","","","","","","","","","","","","","","","","","","","has coordinates","256937","2020-10-21","18:00:00",""
"8100068","15.986","0.003","6.7598","0.0014","11.415","0.002","90","","104.63","0.03","90","","1193.5","0.4","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","M-MPEP","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Alagille, D.; Baldwin, R. M.; Incarvito, C. D.; Tamagnan, G.","Crystal structure of 2-(3-methoxyphenylethynyl)-6-methyl-pyridine, C~15~H~13~NO, M-MPEP - a mGluR5 antagonist","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","187","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100069","7.79","0.003","24.645","0.004","9.867","0.002","90","","90","","90","","1894","1","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 N O4 P -","- C7 H12 N O4 P -","- C56 H96 N8 O32 P8 -","8","1","","Smirani, Wajda; Ben Slimane, Amel; Rzaigui, Mohamed","Crystal structure of 4-methylanilinium dihydrogenphosphate, (p-CH~3~C~6~H~4~NH~3~)(H~2~PO~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","189","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100070","9.6247","0.0011","9.929","0.003","11.86","0.002","108.117","0.015","73.237","0.01","87.38","0.01","1019.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Cl N4 O5 -","- C21 H21 Cl N4 O5 -","- C42 H42 Cl2 N8 O10 -","2","1","","Dupont, Léon; Liégeois, Jean-François","Crystal structure of bis(8-chloro-5-(4-methylpiperazinium-1-yl)pyrido- [2,3-b][1,5]benzoxazepine) fumarate - fumaric acid solvate (1:1), (C~17~H~18~ClN~4~O)~2~(C~4~H~2~O~4~) · C~4~H~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","147","149","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8100071","10.5617","0.0005","19.158","0.0009","21.5366","0.0009","90","","90","","90","","4357.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SY-9, 20-oxo-salinomycin","","","- C42 H67 Na O11 -","- C42 H67 Na O11 -","- C168 H268 Na4 O44 -","4","1","","Paulus, E. F.; Vértesy, L.","Crystal structure of 2-(6-[2-(5-ethyl-5-hydroxy-6-methyl-tetrahydro- pyran-2-yl)-15-oxo-2,10,12-trimethyl-1,6,8-trioxa-dispiro[4.1.5.3] pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl-5-methyl- tetrahydro-pyran-2-yl)-butyrate sodium, Na(C~42~H~67~O~11~), SY-9 ‒ antibiotic 20-oxo-salinomycin","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","184","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100072","12.459","0.003","9.676","0.002","16.237","0.003","90","","99.55","0.02","90","","1930.3","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 O4 Sn -","- C7 H10 O4 Sn -","- C56 H80 O32 Sn8 -","8","1","","Reuter, Hans","Crystal structure of tin(II) acetate acetylacetonate, Sn(C~5~H~7~O~2~) (C~2~H~3~O~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","109","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100073","8.547","0.003","9.1757","0.0019","11.166","0.002","90","","102.241","0.019","90","","855.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C34 H50 N2 O8 -","2","1","","Frey, Wolfgang; Henneböhle, Marco; Jäger, Volker","Crystal structure of (3R,1S',2S')-3-[1-benzyloxy-2,3-isopropylidenedioxy- propyl]-2-methyltetrahydro-1,2-oxazole, C~17~H~25~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","191","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100074","6.2327","0.0003","7.936","0.0003","14.1536","0.0005","90","","99.709","0.004","90","","690.05","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H22 Cl N O4 -","- C12 H22 Cl N O4 -","- C24 H44 Cl2 N2 O8 -","2","1","","Frey, Wolfgang; Henneböhle, Marco; Jäger, Volker","Crystal structure of (3S,4S)-4,5-O-cyclohexylidene-4,5-dihydroxy-3- methylamino-pentanoic acid hydrochloride, (C~12~H~22~NO~4~)Cl","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","193","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100075","11.422","0.002","11.475","0.002","13.582","0.002","90","","90","","90","","1780.2","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorodimethyl(2-aminoethanethiolato)tin(IV)","","","- C4 H12 Cl N S Sn -","- C4 H12 Cl N S Sn -","- C32 H96 Cl8 N8 S8 Sn8 -","8","1","","Couce, Maria D.; Faraglia, Giuseppina; Russo, Umberto; Graziani, Rodolfo; Valle, Giovanni","Crystal structure of chlorodimethyl(2-aminoethanethiolato)tin(IV), (NH~2~CH~2~CH~2~S)SnCl(CH~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","195","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100076","10.119","0.002","14.125","0.003","11.542","0.002","90","","106.87","0.03","90","","1578.7","0.5","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","BASPHOS (NBD)","","","- C29 H44 B F4 O4 P2 Rh -","- C29 H44 B F4 O4 P2 Rh -","- C58 H88 B2 F8 O8 P4 Rh2 -","2","1","","Holz, Jens; Börner, Armin; Spannenberg, Anke; Pribbenow, Cornelia; Heller, Detlef; Drexler, Hans-Joachim","Crystal structure of (η^4^-norborna-2,5-dien)-(1,2-bis((R,R)- 2,5-bis(methoxymethyl)phospholanyl)benzene)rhodium(I) tetrafluoroborate, [Rh(C~22~H~36~O~4~P~2~)(C~7~H~8~)](BF~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","199","200","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8100077","7.5584","0.0016","20.004","0.003","7.1346","0.0016","90","","92.02","0.03","90","","1078.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 Ni2 O12 -","- C18 H18 N4 Ni2 O12 -","- C36 H36 N8 Ni4 O24 -","2","0.5","","Altin, Ergün; Kirchmaier, Ralph; Lentz, Axel","Crystal structure of tetraaqua-bis(pyridine-2,6-dicarboxylato-O,N, O')-(μ~2~-pyrazino)dinickel(II), [Ni~2~(C~4~H~4~N~2~)(C~7~H~3~NO~4~) ~2~(H~2~O)~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","139","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100078","17.643","0.001","5.935","0.001","18.782","0.001","90","","90.13","0.01","90","","1966.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N O3 -","- C22 H20 Br N O3 -","- C88 H80 Br4 N4 O12 -","4","1","","Malpezzi, Luciana","Crystal structure of methyl-2-hydroxy-2-phenyl-3-(4-bromophenyl)-3- phenylamino-propanoate, C~22~H~20~BrNO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","197","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100079","15.522","0.003","9.173","0.002","15.862","0.003","90","","103.91","0.03","90","","2192.3","0.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DEPE (COD)","","","- C18 H36 B F4 P2 Rh -","- C18 H36 B F4 P2 Rh -","- C72 H144 B4 F16 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Drexler, Hans-Joachim","Crystal structure of (η^4^-cycloocta-1,5-dien)(1,2-bis(diethylphosphino) ethane)rhodium(I) tetrafluoroborate, [Rh(C~8~H~12~)(C~10~H~24~P~2~)] (BF~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","201","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","200409","2020-10-21","18:00:00",""
"8100080","13.8128","0.0012","13.8128","0.0012","13.8128","0.0012","90","","90","","90","","2635.4","0.4","568","2","293","2","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Br14 Mo6 Tl2 -","- Br14 Mo6 Tl2.005 -","- Br56 Mo24 Tl8.02 -","4","0.166667","","Xu, Wei; Zheng, Yue-Qing; Wang, Ping","Crystal structure of dithallium(I) octa-μ~3~-bromohexabromo- octahedro-hexamolybdate, Tl~2~[(Mo~6~Br~8~)Br~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","97","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100081","9.473","0.002","19.832","0.006","14.461","0.002","90","","99","0.02","90","","2683.3","0.9","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl4 N4 O P2 V -","- C56 H52 Cl4 N4 O P2 V -","- C112 H104 Cl8 N8 O2 P4 V2 -","2","0.5","","Rabe, Susanne; Bubenheim, Winfried; Müller, Ulrich","Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate (IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] · 4CH~3~CN, [P(C~6~H~5~)~4~]~2~ [MCl~6~] · 4CH~3~CN (M = Sn, Mo)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","101","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100082","9.606","0.007","19.842","0.009","15.129","0.009","90","","98.91","0.02","90","","2849","4","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl6 N4 P2 Sn -","- C56 H52 Cl6 N4 P2 Sn -","- C112 H104 Cl12 N8 P4 Sn2 -","2","0.5","","Rabe, Susanne; Bubenheim, Winfried; Müller, Ulrich","Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate (IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] · 4CH~3~CN, [P(C~6~H~5~)~4~]~2~ [MCl~6~] · 4CH~3~CN (M = Sn, Mo)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","101","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100083","9.505","0.003","19.624","0.002","14.759","0.002","90","","98.72","0.02","90","","2721.1","1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl6 Mo N4 P2 -","- C28 H26 Cl3 Mo0.5 N2 P -","- C112 H104 Cl12 Mo2 N8 P4 -","4","1","","Rabe, Susanne; Bubenheim, Winfried; Müller, Ulrich","Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate (IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] · 4CH~3~CN, [P(C~6~H~5~)~4~]~2~ [MCl~6~] · 4CH~3~CN (M = Sn, Mo)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","101","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100084","13.8123","0.0005","9.7705","0.0004","7.1522","0.0004","90","","90","","90","","965.21","0.08","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Cr H2 O Rb2 -","- Cl5 Cr H2 O Rb2 -","- Cl20 Cr4 H8 O4 Rb8 -","4","0.5","","Mi, Jin-Xiao; Zhou, Xi; Zhang, Hui; Mao, Shao-Yu; Zhao, Jing-Tai","Crystal structure of dirubidium aquapentachlorochromate(III), Rb~2~ [CrCl~5~(H~2~O)]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","93","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100085","7.4297","0.0006","17.2341","0.0011","8.0121","0.0006","90","","90","","90","","1025.9","0.13","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl10 Cr2 Cs4 H4 O2 -","- Cl10 Cr2 Cs4 H4 O2 -","- Cl20 Cr4 Cs8 H8 O4 -","2","0.125","","Mi, Jin-Xiao; Zhou, Xi; Zhang, Hui; Mao, Shao-Yu; Zhao, Jing-Tai","Crystal structure of dicesium aquapentachlorochromate(III), Cs~2~ [CrCl~5~(H~2~O)]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","95","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100086","10.9677","0.0016","11.687","0.0017","4.5482","0.0007","90","","90","","90","","582.99","0.15","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Eu2 Ge3 Li -","- Eu2 Ge3 Li -","- Eu8 Ge12 Li4 -","4","0.5","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of dieuropium lithium trigermanide, Eu~2~LiGe~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","79","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100087","7.939","0.002","3.8824","0.0011","10.524","0.003","90","","90","","90","","324.39","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge2 Li Yb -","- Ge2 Li Yb -","- Ge8 Li4 Yb4 -","4","0.5","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of ytterbium lithium digermanide, YbLiGe~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","81","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100088","4.5767","0.001","19.534","0.004","7.2229","0.0015","90","","90","","90","","645.7","0.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Eu2 Ge3 Li1.16 Mg0.84 -","- Eu2 Ge3 Li1.16 Mg0.84 -","- Eu8 Ge12 Li4.64 Mg3.36 -","4","0.25","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of dieuropium and distrontium di(lithium, magnesium) trigermanide, M~2~Li~x~Mg~2‒x~Ge~3~ (M = Eu, x = 1.16; M = Sr, x = 0.94)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","83","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100089","4.6357","0.0003","19.7034","0.0014","7.3239","0.0005","90","","90","","90","","668.96","0.08","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ge3 Li0.94 Mg1.06 Sr2 -","- Ge3 Li0.942 Mg1.058 Sr2 -","- Ge12 Li3.768 Mg4.232 Sr8 -","4","0.25","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of dieuropium and distrontium di(lithium, magnesium) trigermanide, M~2~Li~x~Mg~2‒x~Ge~3~ (M = Eu, x = 1.16; M = Sr, x = 0.94)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","83","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100090","4.1423","0.0003","4.1423","0.0003","4.3176","0.0004","90","","90","","120","","64.159","0.009","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ca Si1.2 Zn0.8 -","- Ca Si1.202 Zn0.798 -","- Ca Si1.202 Zn0.798 -","1","0.0416667","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of calcium zinc silicide, CaZn~x~Si~2‒x~ (x = 0.80), and strontium germanium silicide, SrGe~x~Si~2‒x~ (x = 1.20)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","85","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100091","4.36","0.0011","4.36","0.0011","4.5367","0.0017","90","","90","","120","","74.69","0.04","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ge1.2 Si0.8 Sr -","- Ge1.196 Si0.804 Sr -","- Ge1.196 Si0.804 Sr -","1","0.0416667","","Xie, Qin-Xing; Nesper, Reinhard","Crystal structure of calcium zinc silicide, CaZn~x~Si~2‒x~ (x = 0.80), and strontium germanium silicide, SrGe~x~Si~2‒x~ (x = 1.20)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","85","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100092","10.3783","0.0015","10.3783","0.0015","26.54","0.005","90","","90","","120","","2475.6","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- H Nb4 O22.5 S4 -","- Nb4 O22.5 S4 -","- Nb24 O135 S24 -","6","0.333333","","Ewald, Bastian; Prots, Yurii; Boström, Magnus","Refinement of the crystal structure of diniobium trisoxydisulfate hydrate, Nb~2~O~3~(SO~4~)~2~ ̇0.25H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","89","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"8100093","4.0948","0.0006","15.582","0.003","6.61","0.001","90","","90","","90","","421.8","0.1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al4 Ni Sm -","- Al4 Ni Sm -","- Al16 Ni4 Sm4 -","4","0.25","","Fornasini, Maria L.; Raggio, Riccardo; Borzone, Gabriella","Crystal structure of samarium nickel tetraaluminide, SmNiAl~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","75","76","","","","","","","","0.0282","","","0.0736","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100094","15.939","0.003","4.0967","0.0006","18.32","0.003","90","","113.09","0.02","90","","1100.4","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al23 Ni6 Sm4 -","- Al23 Ni6 Sm4 -","- Al46 Ni12 Sm8 -","2","0.25","","Fornasini, Maria L.; Raggio, Riccardo; Borzone, Gabriella","Crystal structure of samarium nickel aluminide, Sm~4~Ni~6~Al~23~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","77","78","","","","","","","","0.017","","","0.0399","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100095","9.736","0.001","9.736","0.001","6.947","0.001","90","","90","","120","","570.28","0.12","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","Pentalanthanum-trilead-monoiodide","","","- I La5 Pb3 -","- I La5 Pb3 -","- I2 La10 Pb6 -","2","0.0833333","","Mattausch, Hj.; Simon, A.; Zheng, C.","Crystal structure of pentalanthanum trilead monoiodide, La~5~Pb~3~I","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","87","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100096","8.5846","0.0006","23.3846","0.0019","5.5422","0.0004","90","","108.103","0.008","90","","1057.51","0.14","210","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Bi5 N O10 -","- Bi5 N O10 -","- Bi20 N4 O40 -","4","1","","Ziegler, Peter; Ströbele, Markus; Meyer, H.-Jürgen","Crystal structure of pentabismuth heptaoxide nitrate, Bi~5~O~7~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","91","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100097","7.517","0.0015","14.378","0.003","7.704","0.0015","90","","99.74","0.03","90","","820.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 O8 Zn -","- C4 H10 O8 Zn -","- C16 H40 O32 Zn4 -","4","1","","Xu, Wei; Zheng, Yue-Qing","Refinement of the crystal structure of catena-tetraaquafumarato-O, O'-zinc(II), Zn(H~2~O)~4~(C~4~H~2~O~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","235","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100098","23.654","0.01","5.524","0.002","31.131","0.013","90","","98.564","0.007","90","","4023","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18.5 Ag F N4 O7.25 -","- C18 H18.5 Ag F N4 O7.25 -","- C144 H148 Ag8 F8 N32 O58 -","8","1","","Zou, Ying; Chen, Bo; Song, Hua-Li; Tang, Lu-Lu; Xiong, Zhong-Duo; Zhu, Hai-Liang","Crystal structure of {N-[2-(2-hydroxyethylamino)ethyl]-2-fluorobenzaldimine}- (3,5-dinitrobenzoato)silver(I) - water (1:0.25), Ag(C~7~H~3~N~2~O~6~) (C~11~H~15~FN~2~O) · 0.25H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","261","262","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00",""
"8100099","6.633","0.005","8.694","0.005","16.758","0.005","76.169","0.005","83.423","0.005","68.016","0.005","869.8","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C40 H34 N2 O10 -","2","1","","Ramazani, Ali; Ahmadi, Ebrahim; Torabi, Ali Asgar; Welter, Richard; Dolatyari, Leila; Kazemizadeh, Ali Reza; Souldozi, Ali","Crystal structure of dimethyl 1-benzoyl-1,2-dihydro-2,3-quinolinedicarboxylate, C~20~H~17~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","243","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100100","10.006","0.003","10.318","0.003","10.371","0.003","82.63","0.005","62.925","0.005","63.291","0.005","847.7","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H17 N5 -","- C20 H17 N5 -","- C40 H34 N10 -","2","1","","Shao, Si-Chang; Yang, Song; Zhang, Shu-Ping; Wang, Da-Qi; Zhu, Hai-Liang","Crystal structure of 4-(3,4-dimethylphenyl)-3,5-bis(2-pyridyl)-1,2, 4-triazole, C~20~H~17~N~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100101","15.348","0.009","5.98","0.003","20.909","0.012","90","","102.488","0.009","90","","1873.7","1.8","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N5 -","- C22 H21 N5 -","- C88 H84 N20 -","4","1","","Shao, Si-Chang; Yang, Song; Zhang, Shu-Ping; Wang, Da-Qi; Zhu, Hai-Liang","Crystal structure of 4-(4-tert-butylphenyl)-3,5-bis(2-pyridyl)-1,2, 4-triazole, C~22~H~21~N~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","259","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100102","24.252","0.01","8.456","0.003","20.743","0.008","90","","90","","90","","4254","3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 N4 O4 S Zn -","- C8 H12 N4 O4 S Zn -","- C96 H144 N48 O48 S12 Zn12 -","12","3","","Yang, Hai-Lang; Yang, Feng; Zhu, Hai-Liang","Crystal structure of tetrakis(acetonitrile)zinc(II) sulfate, Zn(C~2~H~3~N) ~4~SO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","329","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100103","8.6099","0.0014","10.5465","0.0016","12.3721","0.0019","114.766","0.003","97.987","0.003","98.308","0.003","984.2","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N4 S2 -","- C21 H20 N4 S2 -","- C42 H40 N8 S4 -","2","1","","Ramazani, Ali; Souldozi, Ali; Morsali, Ali; Jalilian, Amir Reza","Crystal structure of 4-methyl-2-phenyl-5-[4-phenyl-5-(propylsulfanyl)- 4H-1,2,4-triazol-3-yl]-1,3-thiazole, C~21~H~20~N4S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","247","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100104","11.186","0.005","15.137","0.007","12.355","0.006","90","","100.284","0.01","90","","2058.3","1.6","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Hg N4 S2 -","- C23 H15 Hg N4 S2 -","- C92 H60 Hg4 N16 S8 -","4","1","","Ramazani, Ali; Morsali, Ali; Haji-Abolfath, Ali","Crystal structure of (2,2'-biquinolyl-N,N')bis(thiocyanato)mercury (II) benzene hemisolvate, [Hg(C~18~H~12~N~2~)(SCN)~2~] · 0.5C~6~H~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","245","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100105","7.6511","0.0007","10.6581","0.001","15.0566","0.0014","90","","93.076","0.002","90","","1226","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cu N O6 -","- C11 H11 Cu N O6 -","- C44 H44 Cu4 N4 O24 -","4","1","","Ma, Jin-Xing; He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan","Crystal structure of poly[(5-hydroxy-1,3-benzenedicarboxylato)(N,N'- dimethylformamide)copper(II)], Cu(C~8~H~4~O~5~)(C~3~H~7~NO)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","219","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100106","10.405","0.004","11.787","0.005","14.217","0.006","103.479","0.006","103.925","0.006","93.895","0.006","1631.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H50 N8 O18 Tb2 -","- C70 H49 N8 O18 Tb2 -","- C70 H49 N8 O18 Tb2 -","1","0.5","","Li, Xia; Zou, Ying-Quan","Crystal structure of bis(2,2'-bipyridine)bis(2-furancarboxylato)tetra [μ-(2-furancarboxylato-O,O')]-diterbium(III) 2,2'-bipyridine disolvate, Tb~2~(C~5~H~3~O~3~)~6~(C~10~H~8~N~2~)~2~ · 2C~10~H~8~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","275","277","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100107","17.241","0.002","12.291","0.002","19.578","0.006","90","","111.03","0.02","90","","3872","1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 N4 O6 S2 -","- C41 H44 N4 O6 S2 -","- C164 H176 N16 O24 S8 -","4","1","","Kimber, M. C.; Lincoln, S. F.; Ward, A. D.; Tiekink, E. R. T.","Crystal structure of 1,7-{bis[6-methoxy-8-(4-toluene-sulfonamido)quinol- 2-yl]}-heptane, C~41~H~44~N~4~O~6~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","216","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100108","10.5985","0.0006","30.6588","0.0016","17.0701","0.0009","90","","107.574","0.001","90","","5287.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H77 N3 O11 -","- C53 H77 N3 O11 -","- C212 H308 N12 O44 -","4","1","","Liu, Shu-Qun; Zhang, Qian-Feng; Leung, Wa-Hung","Crystal structure of rccc-tetrakis-(iso-butyl)-resorcin[4]arene dimethylformamide trisolvate, C~44~H~56~O~8~ · 3(CH~3~)~2~NCHO","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","265","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100109","10.969","0.001","11.47","0.001","12.445","0.001","78.46","0.01","83.23","0.01","77.58","0.01","1493.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 N8 O20 Zn2 -","- C54 H76 N8 O20 Zn2 -","- C54 H76 N8 O20 Zn2 -","1","0.5","","Zheng, Yue-Qing","Crystal structure of η^2^-η^2^-μ~2~-succinato-bis[bis(2,2'-bipyridine-N,N') zinc(II)] sebacate dodecahydrate, {[Zn(C~10~H~8~N~2~)~2~]~2~C~4~H~4~O~4~}C~10~H~16~O~4~ · 12H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","227","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100110","14.24","0.004","7.161","0.002","14.239","0.005","90","","112.792","0.004","90","","1338.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 N2 Ni O7 -","- C10 H22 N2 Ni O7 -","- C40 H88 N8 Ni4 O28 -","4","1","","Zhao, Xiao-Jun; Guo, Jian-Hua","Refinement of the crystal structure of aqua-(1,5-diazacyclooctane- N,N'-diacetato)nickel(II) dihydrate, [Ni(C~10~H~18~N~2~O~4~)(H~2~O)] · 2H~2~O, analysis of hydrogen-bonding interactions","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","221","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8100111","10.4267","0.0009","10.6931","0.001","12.6461","0.0011","97.987","0.002","99.868","0.002","93.625","0.002","1370.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H40 Cu2 N8 O16 -","- C68 H40 Cu2 N8 O16 -","- C68 H40 Cu2 N8 O16 -","1","0.5","","Yuan, Ji-Xin; Xiao, Hong-Ping; Hu, Mao-Lin","Crystal structure of μ-benzene-1,2,4,5-tetracarboxylato-bis [bis(1,10-phenanthroline)copper(II)] benzene-1,2,4,5-tetracarboxylic acid solvate, [Cu(C~12~H~8~N~2~)~2~]~2~(C~10~H~2~O~8~) · C~10~H~6~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","224","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","208162","2020-10-21","18:00:00",""
"8100112","29.3027","0.0014","29.3027","0.0014","4.0462","0.0005","90","","90","","90","","3474.3","0.5","293","2","293","2","","","","","","","","5","I 41 m d","I 4bw -2","109","","","","- C15 H5 Br4 N3 O3 -","- C15 H5 Br4 N3 O3 -","- C120 H40 Br32 N24 O24 -","8","0.5","","Zhang, Hai-Guang; Yu, Wen-Tao; Wang, Lei; Yang, Jia-Xiang; Tao, Xu-Tang; Jiang, Min-Hua","Crystal structure of 2,7-dibromo-4,5-diazofluoren-9-one-3,4-dibromomaleimide, C~11~H~4~N~20~Br~2~ · C~4~HNO~2~Br~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","333","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100113","10.654","0.002","25.934","0.005","10.194","0.002","90","","105.12","0.03","90","","2719","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Mn N4 O9 -","- C26 H28 Mn N4 O9 -","- C104 H112 Mn4 N16 O36 -","4","1","","Xu, Wei; Zheng, Yue-Qing","Crystal structure of diformato-bis(1,10-phenanthroline-N,N')manganese (II) pentahydrate, [Mn(C~12~H~8~N~2~)~2~(HCOO)~2~] · 5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","233","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100114","11.322","0.002","5.255","0.001","19.718","0.002","90","","91.87","0.01","90","","1172.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl O4 -","- C13 H11 Cl O4 -","- C52 H44 Cl4 O16 -","4","1","","Peters, K.; Peters, E.-M.; Klein, I.; Spitzner, D.","Crystal structure of 3-chloro-6-ethyl-5-hydroxy-7-methoxy-1,4-naphthoquinone, C~13~H~11~ClO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","241","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100115","9.9074","0.0005","13.2327","0.0007","25.121","0.0013","83.994","0.001","87.39","0.001","85.353","0.001","3262.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","trans-Bis(dinitrogen)bis{bis(di(p-ethylbenzene)phosphino)ethane}molybdenum","","","- C75 H88 Mo N4 P4 -","- C75 H88 Mo N4 P4 -","- C150 H176 Mo2 N8 P8 -","2","1","","Zeller, Matthias; Hunter, Allen D.","Crystal structure of molybdenum and tungsten trans-bis-(dinitrogen)-bis {bis(di(p-ethylbenzene)phosphino)ethane} toluene solvate, M(C~34~H~40~P~2~)~2~(N~2~)~2~ · C~7~H~8~ (M = Mo, W)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","249","254","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100116","9.881","0.003","13.224","0.004","25.146","0.007","84.063","0.005","87.612","0.005","85.569","0.005","3256.5","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","trans-Bis(dinitrogen)bis{bis(di(p-ethylbenzene)phosphino)ethane}tungsten","","","- C75 H88 N4 P4 W -","- C75 H88 N4 P4 W -","- C150 H176 N8 P8 W2 -","2","1","","Zeller, Matthias; Hunter, Allen D.","Crystal structure of molybdenum and tungsten trans-bis-(dinitrogen)-bis {bis(di(p-ethylbenzene)phosphino)ethane} toluene solvate, M(C~34~H~40~P~2~)~2~(N~2~)~2~ · C~7~H~8~ (M = Mo, W)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","249","254","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100117","10.871","0.003","7.564","0.002","29.083","0.009","90","","90","","90","","2391.6","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","1","","Li, Xia; Zou, Ying-Quan","Crystal structure of 1-(2-furyl)-3-(p-methoxyphenyl)-1,3-propanedione, C~14~H~12~O~4~, the enol form","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","281","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100118","9.3981","0.0005","14.606","0.001","12.4524","0.0007","90","","108.335","0.005","90","","1622.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cl6 N2 Te -","- C26 H44 Cl6 N2 Te -","- C52 H88 Cl12 N4 Te2 -","2","0.5","","Caracelli, Ignez","Crystal structure of bis(benzyltriethylammonium) hexachlorotellurate (IV), [C~7~H~7~(C~2~H~5~)~3~N]~2~(TeCl~6~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","273","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100119","8.624","0.003","10.424","0.003","11.295","0.004","97.154","0.005","106.891","0.004","109.874","0.004","885.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N8 O12 Pb2 -","- C36 H24 N8 O12 Pb2 -","- C36 H24 N8 O12 Pb2 -","1","0.5","","Zhu, Nan-Wen; An, Ping; Wang, Xin-Ze","Crystal structure of bis[(μ-4-nitrophenolato)(nitrato)-(1,10-phenanthroline) lead(II)], [Pb(OC~6~H~4~NO~2~)(C~12~H~8~N~2~)(NO~3~)]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","271","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","208162","2020-10-21","18:00:00",""
"8100120","8.3495","0.0011","9.2578","0.0012","10.9325","0.0015","69.581","0.01","79.794","0.011","65.485","0.01","720.05","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N2 O6 -","- C13 H16 N2 O6 -","- C26 H32 N4 O12 -","2","1","","Frey, Wolfgang; Lee, Ja Young; Jäger, Volker","Crystal structure of diethyl rel-(3aS,4aS,7aR,7bR)-4,4a,7a,7b-tetrahydro- 3aH-cyclopenta-[1,2-d:4,3-d']-diisoxazole-3,5-dicarboxylate, C~13~H~16~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","287","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100121","9.8365","0.0006","12.0017","0.0005","23.9197","0.0013","90","","90","","90","","2823.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O6 -","- C13 H16 N2 O6 -","- C104 H128 N16 O48 -","8","1","","Frey, Wolfgang; Lee, Ja Young; Jäger, Volker","Crystal structure of diethyl rel-(3aR,3bR,6aS,7aR)-3b,6a,7,7a-tetrahydro- 3aH-cyclopenta-[1,2-d:3,4-d']-diisoxazole-3,6-dicarboxylate, C~13~H~16~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","289","290","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100122","9.5272","0.001","9.9669","0.001","13.333","0.002","68.016","0.005","88.889","0.006","67.369","0.005","1072.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N4 P -","- C26 H21 N4 P -","- C52 H42 N8 P2 -","2","1","","Bozopoulos, Anastasios; Kavounis, Constantin A.","Crystal structure of 3-[(triphenylphosphoranyliden)-amino]-2-quinoxylamine, (C~6~H~5~)~3~P(C~8~H~6~N~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","269","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100123","8.7095","0.0014","9.7487","0.0017","11.197","0.0018","75.052","0.01","67.313","0.01","65.656","0.01","793.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 F6 S2 -","- C15 H10 F6 S2 -","- C30 H20 F12 S4 -","2","1","","Zhou, Xin-Hong; Zhang, Fu-Shi; Wang, Ru-Ji; Tung, Chen-Ho","Crystal structure of 1,2-bis(2-methylthien-3-yl)perfluorocyclopentene, C~15~H~10~F~6~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","293","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100124","8.4324","0.0002","10.7639","0.0002","21.1593","0.0006","90","","90","","90","","1920.53","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","","Nascimento, M. C. B. S.; Santos, G. L.; Malta, V. R. S.; De Simone, C. A.; Pereira, M. A.; Conserva, L. M.; Anselmo, A. M.; Braz-Filho, R.","Crystal structure of ent-(16R,17R)-17-hydroxy-17-methoxykauran-19- oic acid, C~21~H~34~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100125","12.102","0.005","6.695","0.004","11.306","0.002","90","","90","","90","","916.1","0.6","296","","296","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C24 H44 N8 O16 P4 -","4","0.5","","Kaabi, Kamel; Khedhiri, Lamia","Crystal structure of 2-amino-4-methylpyridinium dihydrogenphosphate, (C~6~H~9~N~2~)H~2~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","255","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100126","9.4587","0.0019","12.519","0.003","13.077","0.003","90","","91.899","0.004","90","","1547.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cl2 Pd Se2 -","- C32 H36 Cl2 Pd Se2 -","- C64 H72 Cl4 Pd2 Se4 -","2","0.5","","Yao, Qingwei; Kinney, Elizabeth P.; Zheng, Chong; Li, S.-J.","Crystal structure of trans-dichloro-bis(phenyl-2,4,6-trimethylbenzylselenido) palladium(II), Pd(C~16~H~18~Se)~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","295","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100127","7.909","0.01","8.366","0.003","16.552","0.003","90","","98.23","0.06","90","","1083.9","1.1","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H14 N O4 P -","- C8 H14 N O4 P -","- C32 H56 N4 O16 P4 -","4","1","","Smirani, Wajda; Rzaigui, Mohamed","Crystal structure of 3,4-dimethylanilinium dihydrogenphosphate, [(CH~3~)~2~C~6~H~3~NH~3~]H~2~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","263","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100128","5.922","0.001","8.336","0.001","19.864","0.002","95.81","0.01","96.6","0.02","100.1","0.01","951.6","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","","Flock, Susanne; Sippel, Heike; Frauenrath, Herbert; Müller, Ulrich","Crystal structure of 4-acetoxy-5-(amino-N-phthalimido)-2-tert-butyl- 5-methyl-1,3-dioxane, C~19~H~24~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","283","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100129","20.144","0.007","14.524","0.005","23.523","0.007","90","","108.24","0.02","90","","6536","4","218","2","218","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H66 Cl2 N8 O2 Zn2 -","- C75 H66 Cl2 N8 O2 Zn2 -","- C300 H264 Cl8 N32 O8 Zn8 -","4","0.5","","Amort, Christoph; Kopacka, Holger; Bildstein, Benno; Wurst, Klaus","Crystal structure of bis[2-N-(2,5-diphenylpyrrol-1-yl)-amido-4-N- (2,5-diphenylpyrrol-1-yl)imino-2-pent-3-en]-bis(?-hydroxo)dizinc(II) dichloromethane solvate, Zn~2~(OH)~2~(C~37~H~31~N~4~)~2~ · CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","331","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100130","6.0045","0.0007","10.551","0.003","12.503","0.003","80.57","0.02","87.32","0.01","73.91","0.02","750.8","","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 F2 O2 -","- C17 H16 F2 O2 -","- C34 H32 F4 O4 -","2","1","","Bulej, Petr; Kuchař, Miroslav; Hušák, Michal; Kratochvíl, Bohumil; Jegorov, Alexandr","Crystal structure of 4-(2',4'-difluorobiphenyl-4-yl)-2-methylbutanoic acid, F~2~C~16~H~15~COOH, deoxoflobufen","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","297","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100131","6.164","0.0003","10.64","0.0005","16.223","0.0006","84.439","0.002","83.312","0.002","84.643","0.0019","1048.14","0.08","150","","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 F2 N O2 -","- C24 H25 F2 N O2 -","- C48 H50 F4 N2 O4 -","2","1","","Bulej, Petr; Kuchař, Miroslav; Hušák, Michal; Kratochvíl, Bohumil; Císařova, Ivana; Jegorov, Alexandr","Crystal structure of benzylammonium 4-(2',4'-difluorobiphenyl-4-yl)- 2-methylbutyrate, (F~2~C~16~H~15~COO)(C~7~H~7~NH~3~), a salt of deoxoflobufen","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","299","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100132","9.523","0.005","12.227","0.005","11.321","0.005","90","","90.675","0.005","90","","1318.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethyl di-sec-butylammonium iodide","","","- C10 H24 I N -","- C10 H24 I N -","- C40 H96 I4 N4 -","4","1","","Jeanneau, Erwann","Crystal structure of dimethyl di-sec-butylammonium iodide, [(CH~3~)~2~(C~4~H~9~)~2~N]I","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","321","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8100133","10.178","0.009","27.01","0.02","10.764","0.009","90","","100.772","0.014","90","","2907","4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 O6 S6 Sn6 -","- C48 H60 O6 S6 Sn6 -","- C96 H120 O12 S12 Sn12 -","2","0.5","","Zhang, R.-F.; Sun, J.-F.; Ma, C.-L.","Crystal structure of cyclo-hexakis[μ-methoxo-μ-sulfido-benzyltin(IV)], [(C~7~H~7~)Sn(CH~3~O)S]~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","301","302","10.1524/ncrs.2004.219.14.321","","","","","","","","","","","","","","","","","","","","","has coordinates","256936","2020-10-21","18:00:00",""
"8100134","9.3578","0.0012","10.4326","0.0012","16.186","0.002","98.571","0.003","92.727","0.003","101.392","0.003","1526.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Cl2 N O2 P -","- C10 H22 Cl2 N O2 P -","- C40 H88 Cl8 N4 O8 P4 -","4","2","","Gholivand, Khodayar; Pourayoubi, Mehrdad","Crystal structure of cyclohexyl-tert-butylammonium dichlorophosphate, (C~10~H~20~NH~2~)PCl~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","314","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100135","17.3727","0.0015","7.7631","0.0013","22.2415","0.0017","90","","104.774","0.007","90","","2900.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br2 Cl4 N2 Pb -","- C12 H14 Br2 Cl4 N2 Pb -","- C72 H84 Br12 Cl24 N12 Pb6 -","6","1.5","","Liu, Zhi; Yu, Wen-Tao; Tao, Xu-Tang; Jiang, Min-Hua","Crystal structure of bis(4-bromoanilinium) tetrachloroplumbate(II), (BrC~6~H~4~NH~3~)~2~PbCl~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","303","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100136","9.388","0.0019","9.421","0.0019","9.449","0.0019","80.88","0.03","78.48","0.03","61.5","0.03","717.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H48 Mn N8 O14 -","- C16 H48 Mn N8 O14 -","- C16 H48 Mn N8 O14 -","1","0.5","","Ge, Xiang; Sun, Jie; Zheng, Yue-Qing","Crystal structure of hexaaquamanganese(II) succinate hexamethylenetetramine disolvate tetrahydrate, [Mn(H~2~O)~6~](C~4~H~4~O~4~) · 2C~6~H~12~N~4~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","237","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100137","4.953","0.0001","9.0831","0.0002","26.4657","0.0001","90","","90","","90","","1190.65","0.04","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-D-2-(1,4-cyclohxadienyl)glycine ethyl ester","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Dialer, Harald; Nöth, Heinrich; Seifert, Thomas; Beck, Wolfgang","Crystal structure of N-acetyl-D-2-(1,4-cyclohexadienyl)glycine ethyl ester, C~12~H~17~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","309","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100138","17.5893","0.0006","17.5893","0.0006","40.1964","0.0018","90","","90","","120","","10770","0.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H54 N21 Nd O27 -","- C72 H54 N21 Nd O27 -","- C432 H324 N126 Nd6 O162 -","6","0.166667","","Wei, Dan-Yi; Xie, Hong-Zhen; Zheng, Yue-Qing","Crystal structure of hexaphenanthrolinium (hexanitrato)-neodymate(III) trinitrate, (C~12~H~9~N~2~)~6~[Nd(NO~3~)~6~](NO~3~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","239","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100139","12.159","0.002","12.486","0.003","17.009","0.003","102.83","0.03","90.29","0.03","116.46","0.03","2238","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 N6 Ni O16 -","- C48 H42 N6 Ni O16 -","- C96 H84 N12 Ni2 O32 -","2","1","","Lin, Jian-Li; Zheng, Yue-Qing","Crystal structure of tris(1,10-phenanthroline-N,N')nickel(II) fumarate fumaric acid disolvate tetrahydrate, [Ni(C~12~H~8~N~2~)~3~](C~4~H~2~O~4~) · 2C~4~H~4~O~4~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","230","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100140","12.265","0.001","16.707","0.002","10.044","0.002","90","","90","","90","","2058.1","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H33 I Sn -","- C18 H33 I Sn -","- C72 H132 I4 Sn4 -","4","0.5","","Reuter, Hans","Redetermination of the crystal structure of tricyclohexyltin(IV) iodide, [Sn(C~6~H~11~)~3~]I","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","327","328","","","","","","","","0.0573","","","0.1577","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100141","14.922","0.002","8.605","0.009","15.308","0.009","90","","90","","90","","1966","2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 F2 N2 -","- C11 H8 F2 N2 -","- C88 H64 F16 N16 -","8","1","","Polamo, Mika; Talja, Markku","Crystal structure of 2-(2,6-difluorophenylamino)pyridine, C~11~H~8~F~2~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","317","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100142","18.3358","0.0007","12.1644","0.0005","8.5208","0.0002","90","","96.087","0.002","90","","1889.8","0.11","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Mg O18 -","- C36 H46 Mg O18 -","- C72 H92 Mg2 O36 -","2","0.5","","Somsook, Ekasith; Rujeeratanavorapan, Vipavee; Pisitsak, Penwisa; Suriyarak, Sarisa; Prabpai, Samran; Kongsaeree, Palangpon; Pohmakotr, Manat","Crystal structure of hexaaquamagnesium(II) bis(hydrogen-cis-9,10-dihydro- 9,10-ethanoanthracene-11,12-dicarboxylate) dihydrate, [Mg(H~2~O)~6~] [C~18~H~13~O~4~]~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","319","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100143","9","0.002","8.838","0.002","28.702","0.007","90","","94.187","0.006","90","","2276.9","1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N3 -","- C32 H19 N3 -","- C128 H76 N12 -","4","1","","Yu, Ming-Xin","Crystal structure of 2-(3-diphenylamino)-benzo[de]anthracen-malononitrile, C~32~H~19~N~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","307","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100144","12.4174","0.0017","4.491","0.0006","16.514","0.002","90","","91.021","0.005","90","","920.8","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H15 Cl N2 O3 -","- C23 H15 Cl N2 O3 -","- C46 H30 Cl2 N4 O6 -","2","1","","Rubin-Preminger, J. M.; Win, T.; Granot, Y.; Bittner, S.","Crystal structure of N-[4-(2-chloro-1,4-dioxo-1,4-dihydro-naphthalen- 3-ylamino)-phenyl]-benzamide, C~23~H~15~ClN~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","323","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100145","14.902","0.002","7.2771","0.0011","23.786","0.004","90","","92.008","0.004","90","","2577.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O5 -","- C30 H32 N2 O5 -","- C120 H128 N8 O20 -","4","1","","Herrera, Antonio; Martinez-Alvarez, Roberto; Ramiro, Pedro; Torres, M. Rosario","Crystal structure of 3'-[(7,8-dimethoxy-2,3-dihydro-1H-cyclopenta [a]naphthalen-4-yl)amino]-6',7'-dimethoxy-4'H-spiro[cyclopentane-1, 1'-isoquinolin]-4?-one, C~30~H~32~N~2~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","305","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100146","7.906","0.002","25.609","0.005","11.736","0.002","90","","96.55","0.03","90","","2360.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Mn N4 O3 -","- C27 H27 Mn N4 O3 -","- C108 H108 Mn4 N16 O12 -","4","1","","Steinhauser, S.; Bachmann, F.; Hazenkamp, M.; Heinz, U.; Dannacher, J.; Hegetschweiler, K.","Crystal structure of N,N,N-tris[2-(salicylideneaminato)-ethyl]amine- manganese(III), Mn[N(C~9~H~9~NO)~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","325","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100147","9.785","0.003","26.184","0.009","16.581","0.006","90","","119.444","0.007","90","","3700","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 N3 Nd O8 -","- C39 H37 N3 Nd O8 -","- C156 H148 N12 Nd4 O32 -","4","1","","Li, Xia; Zou, Ying-Quan; Song, Hai-Bin","Crystal structure of diaqua-tris(4-methylbenzoato)-neodymium(III) 4,4'-bipyridine sesquisolvate, Nd(H~2~O)~2~(C~8~H~7~O~2~)~3~ · 1.5C~10~H~8~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","278","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100148","19.0774","0.0001","10.2427","0.0001","23.7091","0.0003","90","","90","","90","","4632.85","0.08","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H24 Cl5 N O3 Ru -","- C19 H24 Cl5 N O3 Ru -","- C152 H192 Cl40 N8 O24 Ru8 -","8","2","","Dialer, Harald; Knizek, Jörg; Nöth, Heinrich; Beck, Wolfgang","Crystal structure of di-μ-chloro-bis[chloro(η^6^-hexamethylbenzene) ruthenium(II)] - 4-nitrophenol - chloroform (1:2:2), [RuCl~2~(C~12~H~18~)] ~2~ · 2C~6~H~5~NO~3~ · 2CHCl~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","311","313","","","","","","","","0.0452","","","0.1095","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100149","16.657","0.003","14.714","0.003","20.725","0.003","90","","92.733","0.013","90","","5073.6","1.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 -","- C13 H18 N2 -","- C208 H288 N32 -","16","2","","Frey, Wolfgang; Root, Christopher; Gilch, Peter; Braun, Markus","Crystal structure of 4-(diisopropylamino)benzonitrile, C~13~H~18~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","291","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100150","20.2996","0.0016","9.4001","0.0006","9.6941","0.001","90","","111.31","0.01","90","","1723.4","0.2","","","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H22 F6 N4 O8 P2 Sc2 -","- C4 H22 F6 N4 O8 P2 Sc2 -","- C16 H88 F24 N16 O32 P8 Sc8 -","4","0.5","","Ewald, Bastian; Natarajan, Srinivasan; Prots, Yurii; Kniep, Rüdiger","Crystal structure of bis(ethylenediammonium) discandium(III) hexafluoride bis(hydrogenphosphate), (C~2~N~2~H~10~)~2~Sc~2~F~6~(HPO~4~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","335","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100151","6.3814","0.0006","7.3111","0.0006","15.3672","0.0014","90","","90","","90","","716.96","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Bi Cl2 K O4 S -","- Bi Cl2 K O4 S -","- Bi4 Cl8 K4 O16 S4 -","4","1","","Khelifi, Mabrouk; Loukil, Mohamed; Kabadou, Ahlem; Zouari, Ridha; Ben Salah, Abd Elhamid; Fuess, Hartmut","Crystal structure of potassium bismuth dichloride sulfate, KBiCl~2~SO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","203","204","10.1524/ncrs.2004.219.14.223","","","","","","","","","","","","","","","","","","","","","has coordinates","256935","2020-10-21","18:00:00",""
"8100152","6.8939","0.0004","17.662","0.001","12.442","0.007","90","","97.24","0.01","90","","1502.9","0.9","293","2","295.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B O17 P2 Pr7 -","- B O17 P2 Pr7 -","- B4 O68 P8 Pr28 -","4","1","","Ewald, Bastian; Prots, Yurii; Kniep, Rüdiger","Refinement of the crystal structures of praseodymium- and samarium- oxoborate-bis(oxophosphate)-oxide, Ln~7~O~6~[BO~3~][PO~4~]~2~, (Ln = Pr, Sm)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","213","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100153","6.7781","0.0007","17.396","0.0001","12.218","0.0001","90","","96.96","0.01","90","","1430","0.2","293","2","295.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B O17 P2 Sm7 -","- B O17 P2 Sm7 -","- B4 O68 P8 Sm28 -","4","1","","Ewald, Bastian; Prots, Yurii; Kniep, Rüdiger","Refinement of the crystal structures of praseodymium- and samarium- oxoborate-bis(oxophosphate)-oxide, Ln~7~O~6~[BO~3~][PO~4~]~2~, (Ln = Pr, Sm)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","213","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100154","9.5935","0.0014","9.5935","0.0014","24.186","0.005","90","","90","","120","","1927.7","0.6","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Sodium tetratin(II) triphosphate","","","- Na O12 P3 Sn4 -","- Na O12 P3 Sn4 -","- Na6 O72 P18 Sn24 -","6","0.333333","","Mao, Shao-Yu; Deng, Jin-Feng; Li, Man-Rong; Mi, Jin-Xiao; Chen, Hao-Hong; Zhao, Jing-Tai","Crystal structure of sodium tetratin(II) triphosphate, NaSn~4~(PO~4~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","205","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100155","7.842","0.002","10.656","0.002","8.765","0.002","90","","106.81","0.03","90","","701.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium scandium arsenate","","","- As2 H4 N O7 Sc -","- As2 H4 N O7 Sc -","- As8 H16 N4 O28 Sc4 -","4","1","","Kolitsch, Uwe","Crystal structure of ammonium scandium diarsenate(V), (NH~4~)ScAs~2~O~7~, the second KAlP~2~O~7~-type diarsenate","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","207","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8100156","6.6528","0.0002","6.6528","0.0002","5.8071","0.0003","90","","90","","90","","257.02","0.02","293","2","293","2","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Sb2 Ti -","- Sb2 Ti -","- Sb8 Ti4 -","4","0.125","","Armbrüster, Marc; Grin, Yuri","Refinement of the crystal structures of titanium diantimonide, TiSb~2~, and vanadium diantimonide, V~0.96~Sb~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","209","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100157","6.5538","0.0001","6.5538","0.0001","5.6366","0.0002","90","","90","","90","","242.105","0.01","293","2","293","2","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Sb2 V -","- Sb2 V -","- Sb8 V4 -","4","0.125","","Armbrüster, Marc; Grin, Yuri","Refinement of the crystal structures of titanium diantimonide, TiSb~2~, and vanadium diantimonide, V~0.96~Sb~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","209","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100158","4.1867","0.0002","9.3794","0.0003","12.3673","0.0005","90","","90","","90","","485.65","0.06","","","295.15","","","","","","","","","3","I m m m","-I 2 2","71","","","","- Cu4 Ga7 Y3 -","- Cu4 Ga7 Y3 -","- Cu8 Ga14 Y6 -","2","0.125","","Speka, Maryna; Prots, Yurii; Belyavina, Nadiya M.; Markiv, Vasyl Ya.; Grin, Yuri","Crystal structure of yttrium copper gallide, Y~3~Cu~4~Ga~7~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","211","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100159","8.246","0.003","13.104","0.005","16.142","0.007","90","","90","","90","","1744.2","1.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C10 H16 Cl6 N Nb -","- C10 H16 Cl6 N Nb -","- C40 H64 Cl24 N4 Nb4 -","4","0.5","","Tinant, Bernard; Bayot, Daisy; Devillers, Michel","Crystal structure of trimethylbenzylammonium hexachloroniobate(V), [(CH~3~)~3~C~7~H~7~N][NbCl~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","381","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100160","39.856","0.004","19.0577","0.0012","10.5849","0.0008","90","","90","","90","","8039.8","1.2","160","2","160","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H20 Cl N3 O5 S -","- C20 H20 Cl N3 O5 S -","- C320 H320 Cl16 N48 O80 S16 -","16","1","","Dondas, H. Ali; Arslan, Hakan; Thornton-Pett, Mark","Crystal structure of 4-chloro-N-[2-(5-methyl-4,6-dioxo-3-phenyl-hexahydro- pyrrolo-[3,4-d]isoxazol-2-yl)-ethyl]-benzenesulfonamide, C~20~H~20~ClN~3~O~5~S","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","363","364","","","","","","","","0.0606","","","0.1726","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100161","15.9186","0.0009","15.6388","0.0004","7.2709","0.0003","90","","90","","90","","1810.07","0.13","213","2","213","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C17 H22 Cr F6 P -","- C17 H22 Cr F6 P -","- C68 H88 Cr4 F24 P4 -","4","0.5","","Hradsky, Andreas; Kopacka, Holger; Bildstein, Benno; Wurst, Klaus","Crystal structure of (η^7^-2,4,6-cycloheptatrien-1-ylium)(η^5^-1,2,3,4,5- pentamethyl-2,4-cyclopentadien-1-yl)chromium(I) hexafluorophosphate, [Cr(C~7~H~7~)(C~10~H~15~)][PF~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","371","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100162","6.433","0.004","11.366","0.002","22.406","0.003","90","","94.77","0.04","90","","1632.4","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C64 H96 N8 O16 -","4","1","","Guo, Wen-Sheng; Guo, Fang","Crystal structure of 1-adamantylammonium 4-nitrophenolate hydrate, (C~10~H~15~NH~3~)(OC~6~H~4~NO~2~) · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","383","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100163","5.9386","0.0002","8.8513","0.0003","21.5491","0.0009","90","","90","","90","","1132.71","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Altinbas, Ozgul; Dondas, H. Ali; Arslan, Hakan; Kulcu, Nevzat; Killner, Colin","Crystal structure of E-benzaldehyde O-benzoyloxime, C~14~H~11~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","379","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100164","10.592","0.002","18.188","0.003","10.777","0.002","90","","98.39","0.01","90","","2053.9","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","2","","Peters, K.; Peters, E.-M.; Zahn, G.; Gutke, H.-J.; Spitzner, D.","Crystal structure of ethyl (1S,7R,11R,4'S)-benzo[4,5]-11-(2',2'-dimethyl- 1',3'-dioxolan-4'-yl)-10-oxotricyclo[5.3.1.0^2,6^]undec-2(6)-ene-1- carboxylate, C~23~H~26~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","365","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100165","10.312","0.002","10.816","0.002","14.522","0.003","90","","99.03","0.03","90","","1599.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Cu N4 O5 -","- C13 H20 Cu N4 O5 -","- C52 H80 Cu4 N16 O20 -","4","1","","Ying, Er-Bo; Zheng, Yue-Qing","Crystal structure of aquabis(imidazole)(μ-pimelato-O,O')copper (II), Cu(C~3~H~4~N~2~)~2~(C~7~H~10~O~4~)(H~2~O)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","423","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100166","12.417","0.002","17.813","0.003","6.95","0.001","90","","90.76","0.01","90","","1537.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cu N2 O6 -","- C15 H18 Cu N2 O6 -","- C60 H72 Cu4 N8 O24 -","4","1","","Zheng, Yue-Qing","Crystal structure of aqua-carbonato-(2,9-dimethyl-1,10-phenanthroline- N,N')copper(II) dihydrate, [Cu(C~14~H~12~N~2~)(H~2~O)(CO~3~)] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","429","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100167","9.516","0.002","10.385","0.002","11.574","0.002","67.8","0.01","72.32","0.01","72.88","0.01","987.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Mn0.6 N4 O12 Zn1.4 -","- C38 H44 Mn0.6 N4 O12 Zn1.4 -","- C38 H44 Mn0.6 N4 O12 Zn1.4 -","1","0.5","","Zheng, Yue-Qing","Crystal structure of diaquadipimelatobis(1,10-phenanthroline-N,N') di[zinc(II),manganese(II)] dihydrate, [(Zn~0.7~Mn~0.3~)~2~(H~2~O)~2~ (C~12~H~8~N~2~)~2~(C~7~H~10~O~4~)~2~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","427","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100168","13.733","0.003","6.102","0.0012","7.252","0.0015","90","","90","","90","","607.7","0.2","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C9 H11 Cl Cu N6 -","- C9 H11 Cl Cu N6 -","- C18 H22 Cl2 Cu2 N12 -","2","0.5","","Lin, Jian-Li; Zheng, Yue-Qing","Crystal structure of catena-chlorobis(imidazole)(μ-imidazolato- N,N')copper(II), [Cu(Cl)(C~3~H~4~N~2~)~2~(C~3~H~3~N~2~)]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","431","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100169","10.1804","0.0011","11.9848","0.0013","16.0169","0.0017","90","","106.419","0.002","90","","1874.5","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Cl2 N2 O3 Ru -","- C17 H26 Cl2 N2 O3 Ru -","- C68 H104 Cl8 N8 O12 Ru4 -","4","1","","Arslan, Hakan; VanDerveer, Donald; Özdemir, Ismail; Cetinkaya, Bekir; Demir, Serpil","Crystal structure of dichloro-N-(3,4,5-trimethoxy-benzyl)-N-(n-butyl)]- imidazolidin-2-ylideneruthenium(II), RuCl~2~(C~17~H~26~N~2~O~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","377","378","10.1524/ncrs.2004.219.14.409","","","","","","","","","","","","","","","","","","","","","has coordinates","256934","2020-10-21","18:00:00",""
"8100170","15.978","0.005","18.526","0.006","22.547","0.007","90","","97.925","0.005","90","","6610","4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H60.76 Dy2 N4 O13.38 -","- C72 H60.776 Dy2 N4 O13.388 -","- C288 H243.104 Dy8 N16 O53.552 -","4","1","","Li, Xia; Zou, Ying-Quan","Crystal structure of bis(1,10-phenanthroline)bis(3-methylbenzoato)- tetrakis[μ-(3-methylbenzoato-O,O')]didysprosium(III) hydrate (1:1.38), [Dy(C~8~H~7~O~2~)~3~(C~12~H~8~N~2~)]~2~ · 1.38H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","373","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100171","10.447","0.002","18.926","0.002","18.575","0.002","90","","91.68","0.09","90","","3671.1","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","para tetraacethyl tetramethoxy calix[4]arene, dioxane half-solvate","","","- C42 H44 O9 -","- C42 H44 O9 -","- C168 H176 O36 -","4","1","","Mbemba, Cyrille; Neuman, Alain; Prangé, Thierry; Lecouvey, Marc","Crystal structure of 5,11,17,23-tetraacetyl 25,26,27,28-tetramethoxycalix [4]arene dioxane hemisolvate, C~40~H~40~O~8~ · 0.5C~4~H~8~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","368","370","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8100172","12.727","0.003","12.991","0.003","13.116","0.003","79.83","0.03","63.31","0.03","78.33","0.03","1888.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 I2 N4 O6 Pb -","- C38 H28 I2 N4 O6 Pb -","- C76 H56 I4 N8 O12 Pb2 -","2","1","","Zhang, Bi-Song; Ying, Tao-Kai; Cheng, Cun-Gui","Crystal structure of bis(1,10-phenanthroline-N,N')(2-iodo-benzoato) lead(II) 2-iodo-benzoate dihydrate, [Pb(C~7~H~4~O~2~I)(C~12~H~8~N~2~)~2~] (C~7~H~4~O~2~I) · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","483","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100173","10.897","0.002","11.841","0.002","12.871","0.003","103.4","0.03","92.63","0.03","104.58","0.03","1553.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 Cl Mn N5 O8 -","- C31 H28 Cl Mn N5 O8 -","- C62 H56 Cl2 Mn2 N10 O16 -","2","1","","Zhang, Bi-Song","Crystal structure of aqua-chloro-bis(1,10-phenanthroline-N,N')manganese (II) 4-nitrobenzoate trihydrate, [Mn(H~2~O)(Cl)(C~12~H~8~N~2~)~2~] (C~7~H~4~NO~4~) · 3H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","485","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100174","27.037","0.005","5.207","0.001","17.893","0.004","90","","130.28","0.03","90","","1921.9","0.7","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C4 H14 Co N3 O16 P4 Zn4 -","- C4 H14 N3 O16 P4 Zn5 -","- C16 H56 N12 O64 P16 Zn20 -","4","1","","Wang, Yi-Fei; Lin, Feng; Pang, Wei-Qin","Crystal structure of diethylenetriamine-penta[zinc(II),cobalt(II)] tetraphosphate, (C~4~H~14~N~3~)(Zn~4.04~Co~0.96~)(PO~4~)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","387","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100175","15.1153","0.0012","15.3621","0.0013","6.8134","0.0005","90","","92.908","0.003","90","","1580.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O6 Pb -","- C12 H8 N2 O6 Pb -","- C48 H32 N8 O24 Pb4 -","4","0.5","","Chen, Zhong-Xi; Xia, Fu-Jun; Zhu, Nan-Wen","Crystal structure of catena-bis(μ-4-nitrophenolato)lead(II), Pb(C~6~H~4~NO~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","385","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8100176","5.5515","0.0011","11.017","0.002","13.597","0.003","90","","90","","90","","831.6","0.3","120","1","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H3 F2 N -","- C4 H3 F2 N -","- C32 H24 F16 N8 -","8","1","","Leroy, Jacques; Bondon, Arnaud; Toupet, Loic; Meerschaut, Alain","Crystal structure of 3,4-difluoro-1H-pyrrole, C~4~H~3~F~2~N","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","389","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100177","11.9055","0.0012","11.7507","0.0011","10.0615","0.001","90","","90","","90","","1407.6","0.2","294","","294","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8 H16 Au Cl N4 S2 -","- C8 H16 Au Cl N4 S2 -","- C32 H64 Au4 Cl4 N16 S8 -","4","0.5","","Fettouhi, Mohammed; Isab, Anvarhusein A.; Wazeer, Mohamed I. M.","Crystal structure of bis(3,4,5,6-tetrahydropyrimidine-2(1H)-thione- S)gold(I) chloride, [Au(C~4~H~8~N~2~S)~2~]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","391","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100178","9.949","0.002","26.441","0.005","10.578","0.002","90","","105.72","0.03","90","","2678.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Co N4 O10 -","- C25 H30 Co N4 O10 -","- C100 H120 Co4 N16 O40 -","4","1","","Li, Rong-Sheng; Lin, Jian-Li; Zheng, Yue-Qing","Crystal structure of (carbonato-O,O')bis(1,10-phenanthroline-N,N') cobalt(II) heptahydrate, [Co(C~12~H~8~N~2~)~2~CO~3~] · 7H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","425","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100179","7.0751","0.0006","11.3427","0.0008","26.268","0.002","90","","90","","90","","2108","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O10 -","- C18 H26 N2 O10 -","- C72 H104 N8 O40 -","4","1","","Chen, Fan; Hu, Mao-Lin; Wang, Shun; Wu, Hua-Yue","Crystal structure of (1S,6S)-8-benzyl-7,9-dioxo-8-aza-2-azoniabicyclo [4,3,0]-nonane (2S,3S)-(-)-hydrogen tartrate dihydrate, (C~4~H~5~N~2~O~10~) (C~14~H~17~O~2~) · 2H~2~O, a chiral inclusion","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100180","8.9594","0.0001","8.9594","0.0001","9.5448","0.0002","90","","90","","120","","663.522","0.017","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Co F6 Ga N6 -","- C6 H24 Co F6 Ga N6 -","- C12 H48 Co2 F12 Ga2 N12 -","2","0.166667","","Loiseau, Thierry; Serpaggi, Fabien; Ferey, Gérard","Crystal structure of tris(ethylendiamine-N,N')cobalt(III) hexafluorogallate, Co(C~2~H~8~N~2~)~3~[GaF~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","469","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100181","8.213","0.003","17.274","0.006","18.96","0.006","90","","90","","90","","2689.7","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 La O12 -","- C27 H27 La O12 -","- C108 H108 La4 O48 -","4","1","","Li, Xia; Zou, Ying-Quan","Crystal structure of catena-poly[μ-tris(2,3-dimethoxybenzoato) lanthanum(III)], La(C~9~H~9~O~4~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","421","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100182","8.765","0.0001","9.3278","0.0001","15.3642","0.0002","77.5549","0.0006","80.6252","0.0007","70.8162","0.0007","1152.73","0.02","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H37 Cl Zr -","- C24 H37 Cl Zr -","- C48 H74 Cl2 Zr2 -","2","1","","Ernst, Richard D.; Harvey, Benjamin G.; Arif, Atta M.","Crystal structure of chlorobis(η^5^-pentamethylcyclopentadienyl) (η^3^-2-methyl-2-propenyl)zirconium, Zr(C~4~H~7~)(C~10~H~15~) ~2~Cl","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","401","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100183","17.1538","0.0003","17.2598","0.0003","17.3568","0.0002","90","","90","","90","","5138.85","0.14","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H48 Zr -","- C28 H48 Zr -","- C224 H384 Zr8 -","8","2","","Ernst, Richard D.; Harvey, Benjamin G.; Arif, Atta M.","Crystal structure of di(n-butyl)bis(η^5^-pentamethylcyclopentadienyl) zirconium, Zr(C~4~H~9~)~2~(C~10~H~15~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","398","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100184","9.9962","0.0008","12.9112","0.0011","14.6704","0.0013","85.568","0.002","70.61","0.002","82.639","0.002","1770.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Cl N2 O S -","- C20 H15 Cl N2 O S -","- C80 H60 Cl4 N8 O4 S4 -","4","2","","Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan","Crystal structure of 3-(2-chlorobenzoyl)-1,1-diphenylthiourea, (C~6~H~5~) ~2~N(CS)(NH)(CO)(C~6~H~4~Cl)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","395","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100185","12.3","0.002","8.0699","0.0016","12.751","0.003","90","","103.229","0.003","90","","1232.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","zinc di-2-pyridyl ketone bromide","","","- C11 H8 Br2 N2 O Zn -","- C11 H8 Br2 N2 O Zn -","- C44 H32 Br8 N8 O4 Zn4 -","4","1","","Kanaras, Christina; Westcott, Barry L.; Crundwell, Guy; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D.; Sommerer, Shaun O.","Crystal structures of (di-2-pyridyl ketone)zinc dibromide and diiodide, Zn(C~11~H~8~N~2~O)X~2~ (X = Br, I)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","393","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100186","12.6266","0.0005","8.3959","0.0003","13.1079","0.0005","90","","103.649","0.001","90","","1350.35","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","zinc di-2-pyridyl ketone iodide","","","- C11 H8 I2 N2 O Zn -","- C11 H8 I2 N2 O Zn -","- C44 H32 I8 N8 O4 Zn4 -","4","1","","Kanaras, Christina; Westcott, Barry L.; Crundwell, Guy; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D.; Sommerer, Shaun O.","Crystal structures of (di-2-pyridyl ketone)zinc dibromide and diiodide, Zn(C~11~H~8~N~2~O)X~2~ (X = Br, I)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","393","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100187","9.6328","0.0002","10.8348","0.0003","10.9423","0.0003","63.2758","0.0017","73.8274","0.0015","82.6352","0.0013","979.68","0.04","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C48 H52 N4 -","- C48 H52 N4 -","- C48 H52 N4 -","1","0.5","","Ernst, Richard D.; Basta, Rehan; Arif, Atta M.","Crystal structure of 1,4-bis(4,4-dimethylcyclohexa-2,5-dienylidene)- N,N',N'',N'''-tetra-o-tolyl-but-2-ene-1,2,3,4-tetraamine, (C~24~H~22~N~2~) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","403","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100188","12.189","0.003","17.827","0.005","13.687","0.004","90","","111.091","0.004","90","","2774.9","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H40 F6 N4 O12 Sm2 -","- C62 H40 F6 N4 O12 Sm2 -","- C124 H80 F12 N8 O24 Sm4 -","2","0.5","","Li, Xia; Zou, Ying-Quan","Crystal structure of bis(2,2'-bipyridine)tetrakis(μ-2-fluorobenzoato- O,O')bis(2-fluorobenzoato)disamarium(III), Sm~2~(C~7~H~4~FO~2~)~6~ (C~10~H~8~N~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","419","420","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8100189","9.512","0.0012","11.671","0.0015","12.531","0.0015","106.68","0.03","96.69","0.03","104.28","0.02","1265","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N6 O4 -","- C28 H24 N6 O4 -","- C56 H48 N12 O8 -","2","1","","Tai, Xi-Shi; Wang, L.-H.; Li, Yi-Zhi; Tan, Min-Yu","Crystal structure of 1,4-bis(2'-formylphenyl)-1,4-dioxabutane- isonicotinoylhydrazone, (C~14~H~12~N~3~O~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","407","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100190","16.8568","0.0017","8.38","0.0009","24.805","0.003","90","","90.3","0.002","90","","3503.8","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cl2 N4 O2 Pd S2 -","- C32 H44 Cl2 N4 O2 Pd S2 -","- C128 H176 Cl8 N16 O8 Pd4 S8 -","4","1","","Arslan, Hakan; Flörke, Ulrich; Külcü, Nevzat","Crystal structure of cis-bis[1,1-dibutyl-3-(4-chloro-benzoyl)-thioureato]- palladium(II), Pd(C~16~H~22~ClN~2~OS)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","409","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100191","17.708","0.005","11.236","0.003","17.821","0.005","90","","106.816","0.004","90","","3393.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 N2 Na2 O10 S2 -","- C30 H40 N2 Na2 O10 S2 -","- C120 H160 N8 Na8 O40 S8 -","4","0.5","","He, Yuan; Li, Da-Cheng; Liu, Ying; Dou, Jian-Min; Wang, Da-Qi","Crystal structure of bis(benzo-1,4,7,10,13-pentaoxacyclopentadec-2- ene)bis(thiocyanato)disodium(I), Na~2~(SCN)~2~(C~14~H~20~O~5~)~2~, a benzo-15-crown-5 complex","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","411","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100192","10.228","0.0015","12.017","0.0018","12.638","0.0019","102.865","0.019","109.19","0.02","99.14","0.02","1384","4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H72 N4 Na2 O12 Pt S4 -","- C48 H72 N4 Na2 O12 Pt S4 -","- C48 H72 N4 Na2 O12 Pt S4 -","1","0.5","","Li, B.; Li, Da-Cheng; Dong, Feng-Ying; Dou, Jian-Min; Wang, Da-Qi","Crystal structure of bis(dicyclohexano-16-oxacrown-6)disodium(I) bis (maleodinitrilethiolato)platinate(II), [Na~2~(C~20~H~28~O~6~)~2~] [Pt(C~4~N~2~S~2~)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","413","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100193","9.149","0.002","13.029","0.003","11.608","0.002","90","","99.9","0.03","90","","1363.1","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Golen, James A.; Williard, Paul G.; Ram, Siya; Sachdeva, Yesh P.; Wilson, Donna Kay; Zhar, Salah; Verma, Ravi K.","Crystal structure of 5-hydroxy-2,3,8,8-tetramethyl-4H,8H-benzo[1,2- β:5,4-β']dipyran-4-one, C~16~H~16~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","405","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100194","10.3394","0.0012","7.3758","0.0009","14.3665","0.0017","90","","90.313","0.002","90","","1095.6","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Yu, Zhi-Guo; Bi, Kai-Shun; Li, Zhen-Yu; Guo, Yue-Wei","Crystal structure of hyrtiosal, C~25~H~38~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","415","416","10.1524/ncrs.2004.219.14.447","","","","","","","","","","","","","","","","","","","","","has coordinates","256933","2020-10-21","18:00:00",""
"8100195","10.592","0.003","11.877","0.003","36.833","0.009","90","","90","","90","","4634","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C192 H240 O72 -","24","3","","Peters, K.; Peters, E.-M.; Linker, T.","Crystal structure of (1R,3S,5R)-3-hydroxy-2-methylene-6-oxa-bicyclo [3.2.1.]octan-7-one, C~8~H~10~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","459","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100196","8.162","0.003","12.698","0.005","12.832","0.005","77.197","0.006","86.326","0.005","82.844","0.006","1285.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 La O7 -","- C26 H27 La O7 -","- C52 H54 La2 O14 -","2","1","","Li, Xia; Zou, Ying-Quan; Liu, Zhi-Jie; Liu, Wei-Yi","Crystal structure of catena-{ethanol[μ-(3-methylbenzoato-O,O')] bis[μ-(3-methylbenzoato-O,O':O')]lanthanum(III)}, La(C~2~H~5~OH) (C~8~H~7~O~2~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","433","434","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100197","9.33","0.0004","55.464","0.003","9.371","0.0004","90","","98.596","0.0014","90","","4794.8","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H44 Br N O2 -","- C21 H44 Br N O2 -","- C168 H352 Br8 N8 O16 -","8","2","","Hušák, M.; Kratochvíl, B.; Císařová, Ivana; Vrána, A.; Jegorov, Alexandr","Crystal structure of (1-ethoxycarbonyl-pentadecyl)-trimethyl ammonium bromide, (C~21~H~44~NO~2~)Br, form I","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","439","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100198","30.391","0.004","30.391","0.004","20.748","0.005","90","","90","","120","","16596","5","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H28 Cl3 Co N6 O14 -","- C30 H24 Cl3 Co N6 O14 -","- C540 H432 Cl54 Co18 N108 O252 -","18","1","","Du, Miao; Zhao, Xiao-Jun; Cai, Hua","Crystal structure of tris(2,2'-bipyridine)cobalt(III) triperchlorate dihydrate, [Co(C~10~H~8~N~2~)~3~](ClO~4~)~3~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","463","465","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8100199","10.3012","0.0015","13.0789","0.0015","13.1742","0.0018","107.058","0.01","107.345","0.011","103.352","0.011","1517.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Betaine Calcium Perchlorate","","","- C15 H35 Ca1.5 Cl3 N3 O19 -","- C15 H35 Ca1.5 Cl3 N3 O19 -","- C30 H70 Ca3 Cl6 N6 O38 -","2","1","","Rodrigues, V. H.; Costa, M. M. R.; Paixão, J. A.; Santos, M. L.; Agostinho Moreira, J.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A.","Crystal structure of catena-aqua-trisbetaine-perchlorato-sesquicalcium diperchlorate, [Ca~1.5~(H~2~O)(C~5~H~11~NO~2~)~3~(ClO~4~)](ClO~4~) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","448","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100200","11.4581","0.0008","11.9156","0.0008","14.7","0.0009","90","","97.066","0.005","90","","1991.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-acetylhydrazone-5-methoxy phenol diphenyltin(iv)","","","- C22 H20 N2 O3 Sn -","- C22 H20 N2 O3 Sn -","- C88 H80 N8 O12 Sn4 -","4","1","","Diouf, Ousmane; Gaye, Mohamed; Sall, Abdou S.; Slebodnick, Carla","Crystal structure of diphenyl(methoxy-N-salicylideneacetylhydrazonato) tin(IV), Sn(C~6~H~5~)~2~(C~10~H~10~N~2~O~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","435","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100201","7.097","0.004","9.49","0.006","28.687","0.006","90","","90","","90","","1932.1","1.7","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O11 -","- C15 H28 N2 O11 -","- C60 H112 N8 O44 -","4","1","","Van Meervelt, Luc","Crystal structure of 2'-O-(4-methoxy-tetrahydropyran-4-yl)-uridine trihydrate, C~15~H~22~N~2~O~8~ · 3H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","437","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100202","12.2678","0.001","12.4912","0.001","13.3483","0.001","91.23","0.002","100.087","0.002","114.919","0.001","1816","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N9 O8 -","- C38 H31 N9 O8 -","- C76 H62 N18 O16 -","2","1","","Ji, Bao-Ming; Jian, Fang-Fang; Sun, Ping-Ping; Du, Chen-Xia; Ding, Kui-Ling","Crystal structure of [bis(2-benzimidazolylmethyl)(2-benzimidazoliummethyl)] amine 3-nitrobenzoate 3-nitrobenzoic acid, (C~24~H~22~N~7~)(C~7~H~4~NO~4~) (C~7~H~5~NO~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","466","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100203","10.831","0.0008","13.2391","0.001","13.2526","0.001","93.924","0.001","104.603","0.001","96.191","0.001","1819.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H64 Cl2 La2 N8 O16 -","- C76 H64 Cl2 La2 N8 O16 -","- C76 H64 Cl2 La2 N8 O16 -","1","0.5","","Hu, Mao-Lin; Miao, Qian; Shi, Qian; Cheng, Ya-Qian","Crystal structure of tetraaquatetrakis(1,10-phenanthroline)bis(μ- 1,1'-biphenyl-2,2'-dicarboxylato)dilanthanum(III) dichloride tetrahydrate, [La~2~(H~2~O)~4~(C~12~H~8~N~2~) ~4~(C~14~H~8~O~4~)~2~]Cl~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","442","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","208162","2020-10-21","18:00:00",""
"8100204","13.83","0.002","13.878","0.002","14.304","0.003","101.98","0.01","106.9","0.01","92.66","0.01","2552.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N8 Ni2 O13 -","- C48 H58 N8 Ni2 O13 -","- C96 H116 N16 Ni4 O26 -","2","1","","Tai, Xi-Shi; Wang, L.-H.; Li, Yi-Zhi; Tan, Min-Yu","Crystal structure of bis[aqua-dimethylformamide-(salicylaldehyde-2- hydroxy-3-naphthoylhydrazonato)nickel(II)] dimethylformamide disolvate monohydrate, [Ni(H~2~O)(C~3~H~7~NO)(C~18~H~12~N~2~O~3~)]~2~ · 2C~3~H~7~NO · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","445","447","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100205","17.354","0.004","8.8651","0.0018","24.388","0.005","90","","90","","90","","3752.1","1.3","193","2","566","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C160 H136 N8 O32 S8 -","8","1","","Itoh, Kuniaki; Iwata, Shine","Crystal structure of 3-cyano-3-phenylsulfonyl-2-methoxycarbonylethene- 1-phenylcyclopropane, C~20~H~17~NO~4~S","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","455","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100206","8.435","0.004","10.743","0.003","39.659","0.008","90","","90","","90","","3594","2","289","2","289","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 N4 Ni O5 -","- C42 H38 N4 Ni O5 -","- C168 H152 N16 Ni4 O20 -","4","1","","Uytterhoeven, Koen; Soloshonok, Vadim; Van Meervelt, Luc","Crystal structure of {(S)-N-[2-(N-benzylprolyl)aminobenzophenone]- [(2S,3R)-3-N-[(4-methoxycarbonyl)phenylamine]-3-phenylpropanoic acid- O,N,N',N""]}nickel(II), Ni(C~42~H~38~N~4~O~5~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","453","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100207","24.249","0.005","8.608","0.002","20.64","0.004","90","","90","","90","","4307.9","1.5","178","2","178","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Ag B F4 N4 -","- C8 H12 Ag B F4 N4 -","- C96 H144 Ag12 B12 F48 N48 -","12","3","","Aly, Aref A. M.; Walfort, Bernhard; Lang, Heinrich","Crystal structure of tetrakis(acetonitrile)silver(I) tetrafluoroborate, [Ag(C~2~H~3~N)~4~][BF~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","489","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100208","6.4367","0.0002","7.623","0.0004","8.0846","0.0004","76.134","0.003","73.456","0.003","81.476","0.003","367.82","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 Cu O6 -","- C4 H8 Cu O6 -","- C8 H16 Cu2 O12 -","2","1","","Djeghri, Assia; Balegroune, Fadila; Guehria-Laidoudi, Achoura; Roisnel, Thierry","Refinement of the crystal structure of diaquabis(μ-succinato) dicopper(II) dihydrate, Cu~2~(H~2~O)~2~(C~4~H~4~O~4~)~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","471","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100209","10.7626","0.0015","10.8709","0.0016","12.6181","0.0015","112.75","0.011","100.612","0.01","105.477","0.011","1241.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 F6 S6 -","- C21 H18 F6 S6 -","- C42 H36 F12 S12 -","2","1","","Pu, Shou-Zhi; Shen, Liang; Xu, Jin-Kun; Wang, Ru-Ji; Xiao, Qiang; Liu, Gan","Crystal structure of 3,3,4,4,5,5-hexafluoro-1,2-bis{5- [2-(1,3-dithiocyclopentyl)]-2-methyl-3-thienyl}-cyclopent-1-ene, C~21~H~18~F~6~S~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","473","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100210","15.4438","0.0013","8.1786","0.0007","9.0478","0.0007","90","","100.002","0.006","90","","1125.45","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl2 I4 N2 Pb -","- C12 H14 Cl2 I4 N2 Pb -","- C24 H28 Cl4 I8 N4 Pb2 -","2","0.5","","Liu, Zhi; Yu, Wen-Tao; Tao, Xu-Tang; Jiang, Min-Hua; Yang, J.-X.; Wang, L.","Crystal structure of bis(4-chloroanilinium) tetraiodoplumbate(II), (ClC~6~H~4~NH~3~)~2~PbI~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","457","458","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100211","8.529","0.002","10.799","0.001","19.661","0.003","90","","90","","90","","1810.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O Sn -","- C21 H22 O Sn -","- C84 H88 O4 Sn4 -","4","1","","Reuter, Hans","Crystal structure of tribenzyltin(IV) hydroxide, (C~7~H~7~)~3~SnOH","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","487","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100212","5.5503","0.0007","7.9255","0.001","9.9922","0.0013","76.891","0.002","89.395","0.002","82.459","0.002","424.31","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C20 H24 N4 -","2","1","","Huang, Xiang-Hong; Zhang, Qian-Feng; Sung, Herman H. Y.","Crystal structure of 2-propyl-1H-pyrrolo-[2,3-b]pyridine, C~10~H~12~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","451","452","10.1524/ncrs.2004.219.14.483","","","","","","","","","","","","","","","","","","","","","has coordinates","256932","2020-10-21","18:00:00",""
"8100213","25.971","0.006","7.369","0.002","10.752","0.005","90","","106.46","0.04","90","","1973.4","1.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd O10 -","- C18 H18 Cd O10 -","- C72 H72 Cd4 O40 -","4","0.5","","Viossat, B.; Nguyen-Huy, D.; Morgant, G.; Greenaway, F. T. G.; Sorenson, J. R. J.","Crystal structure of diaquabis(aspirinato)cadmium(II), Cd(H~2~O)~2~ (C~9~H~9~O~5~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","475","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100214","12.126","0.001","8.507","0.001","17.874","0.002","90","","92.43","0.01","90","","1842.2","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O10 -","- C16 H22 O10 -","- C64 H88 O40 -","4","2","","Peters, K.; Peters, E.-M.; Hartmann, K.; Kim, B. G.; Linker, T.","Crystal structure of butyl (2R,3R,4R)-2,3,4-triacetoxy-4-[(2R)-oxo- tetrahydrofuran-2-yl]-acetate, C~16~H~22~O~10~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","461","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100215","15.482","0.004","7.881","0.005","17.643","0.007","90","","103.55","0.02","90","","2092.7","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl2 I2 P -","- C19 H17 Cl2 I2 P -","- C76 H68 Cl8 I8 P4 -","4","1","","Bozopoulos, Anastasios; Kavounis, Constantin A.","Crystal structure of triphenyliodomethylphosphonium dichloroiodate, [(C~6~H~5~)~3~PCH~2~I](Cl~2~I)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","501","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100216","8.717","0.0017","10.135","0.002","15.358","0.003","99.5","0.03","99.64","0.03","107.38","0.03","1242.8","0.5","293","","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 Cl6 O6 -","- C21 H22 Cl6 O6 -","- C42 H44 Cl12 O12 -","2","1","","Azap, Cengiz; Luger, Peter; Reißig, H.-U.; Wagner, Armin","Crystal structure of 4,7,8-trimethoxy-3-hydroxyspiro[1-benzofuran- 2,2'-chromane] chloroform disolvate, C~19~H~20~O~6~ · 2CHCl~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","495","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100217","18.98","0.003","12.345","0.002","21.746","0.005","90","","92.396","0.016","90","","5090.8","1.6","173","","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H55 Cl3 O15 -","- C55 H55 Cl3 O15 -","- C220 H220 Cl12 O60 -","4","1","","Azap, Cengiz; Luger, Peter; Reißig, H.-U.; Wagner, Armin","Crystal structure of 4,7-dimethoxy-3-hydroxyspiro[1-benzofuran-2,2'- chromane] chloroform solvate (1:1/3), C~18~H~18~O~5~ · 1/3CHCl~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","492","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100218","6.521","0.002","12.012","0.004","18.024","0.004","94.13","0.02","96.64","0.02","98.92","0.03","1379.6","0.7","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 Fe2 Si -","- C36 H32 Fe2 Si -","- C72 H64 Fe4 Si2 -","2","1","","Müller, A. G.; Schottenberger, H.; Laus, G.; Wurst, K.","Crystal structure of bis(ferroceno[2,3]inden-1-yl)dimethylsilane, Si(CH~3~)~2~[Fe(C~5~H~5~)(C~12~H~8~)]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","497","498","","","","","","","","0.044","","","0.1232","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100219","11.2847","0.0008","8.2066","0.0003","11.378","0.0008","90","","101.542","0.002","90","","1032.4","0.11","228","2","228","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 F3 N2 O5 S -","- C20 H21 F3 N2 O5 S -","- C40 H42 F6 N4 O10 S2 -","2","1","","Laus, G.; Wurst, K.; Horvath, U. I. E.; Schmidhammer, H.; Schottenberger, H.","Crystal structure of 5,6-didehydro-14-hydroxy-3-methoxy-17-methyl-4- (trifluoromethylsulfonyloxy)morphinan-6-carbonitrile, C~20~H~21~F~3~N~2~O~5~S","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","499","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100220","28.674","0.004","8.133","0.001","13.065","0.002","90","","108.96","0.01","90","","2881.5","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C144 H128 O24 -","8","1","","Peters, K.; Peters, E.-M.; Rebien, F.; Engelhardt, U.; Linker, T.","Crystal structure of methyl (1R,4S)-4-hydroxy-1-phenyl-1,4-dihydro- naphthalene-2-carboxylate, C~18~H~16~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","479","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100221","8.284","0.001","9.524","0.001","17.729","0.001","90","","93.69","0.01","90","","1395.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Peters, K.; Peters, E.-M.; Rebien, F.; Maurer, M.; Linker, T.","Crystal structure of (3aS,4S,9R,9aS)-4-hydroxy-9-phenyl-3a,4,9,9a- tetrahydro-3H-naphtho[2,3-c]furan-1-one, C~18~H~16~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","481","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100222","10.125","0.003","21.214","0.007","18.942","0.004","90","","94.52","0.02","90","","4056","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 N2 Si6 -","- C36 H56 N2 Si6 -","- C144 H224 N8 Si24 -","4","1","","Popowski, E.; Rietz, I.; Reinke, H.; Köckerling, M.","Crystal structure of 1,2-bis[bis(trimethylsilyl)amino]-1,1,2,2-tetraphenyl- disilane, [{[(CH~3~)~3~Si]~2~N}(C~6~H~5~)~2~Si]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","503","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100223","6.3121","0.0008","8.4235","0.001","10.9044","0.0013","100.322","0.002","96.64","0.003","98.788","0.002","557.58","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 O4 P2 Pt S4 -","- C12 H28 O4 P2 Pt S4 -","- C12 H28 O4 P2 Pt S4 -","1","0.5","","Kuan, F. S.; Tiekink, E. R. T.","Refinement of the crystal structure of bis(O,O'-diisopropyldithiophosphato- S,S')platinum(II), Pt{[(CH~3~)~2~CHO]~2~PS~2~}~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","477","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","107867","2020-10-21","18:00:00",""
"8100224","10.4446","0.0009","16.371","0.002","9.0553","0.0007","90","","122.42","0.003","90","","1307","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H2 Na O8 P2 Sc -","- H2 Na O8 P2 Sc -","- H16 Na8 O64 P16 Sc8 -","8","2","","Ewald, Bastian; Prots, Yurii; Zhang, Hui; Kniep, Rüdiger","Crystal structure of sodium scandium bis(monohydrogenphosphate), NaSc (HPO~4~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","343","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100225","5.0342","0.0014","10.7683","0.0023","5.1084","0.0014","90","","90.957","0.02","90","","276.885","","298","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","powellite","","","- Ca Mo O4 -","- Ca Mo O4 -","- Ca4 Mo4 O16 -","4","0.5","","Crichton, Wilson A.; Grzechnik, Andrzej","Crystal structure of calcium molybdate, CaMoO~4~, a scheelite-type to fergusonite-type transition in powellite at P 15 GPa","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","337","338","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","200408","2020-10-21","18:00:00",""
"8100226","5.884","0.001","6.981","0.001","5.564","0.001","97.33","0.02","108.93","0.02","108.18","0.02","198.63","0.06","293","2","293","2","","","","","","","Bou-Azzer, Morocco","6","P -1","-P 1","2","talmessite","","Beta-roselite","- As2 Ca2 Co0.532 H4 Mg0.468 O10 -","- As2 Ca2 Co0.532 H4 Mg0.468 O10 -","- As2 Ca2 Co0.532 H4 Mg0.468 O10 -","1","0.5","","Joswig, W.; Paulus, E. F.; Liebscher, B.","Crystal structure of dicalcium (cobalt,magnesium) diarsenate dihydrate, Ca~2~(Co~0.532~Mg~0.468~)[AsO~4~]~2~ · 2H~2~O, hydrogen bonding in talmessite","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","341","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"8100227","6.6119","0.0009","6.6119","0.0009","11.844","0.002","90","","90","","90","","517.77","0.14","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","potassium cobaltate(II)","","","- Co2 K6 O5 -","- Co2 K6 O5 -","- Co4 K12 O10 -","2","0.125","","Sofin, Mikhail; Peters, Eva-Maria; Jansen, Martin","Crystal structure of hexapotassium dicobaltate(II), K~6~Co~2~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","339","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","187017","2020-10-21","18:00:00",""
"8100228","5.9033","0.0008","5.9033","0.0008","7.0816","0.0014","90","","90","","90","","246.79","0.07","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ag4 As2 K2 O8 -","- Ag2 As K O4 -","- Ag4 As2 K2 O8 -","2","0.125","","Curda, Jan; Peters, Eva-Maria; Klein, Wilhelm; Jansen, Martin","Crystal structure of potassium disilver arsenate(V), KAg~2~AsO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","345","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100229","5.604","0.001","5.679","0.001","6.77","0.001","98.63","0.03","94.35","0.03","107.72","0.03","201.21","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","scandium arsenate hydrate","","","- As H2 O5 Sc -","- As O5 Sc -","- As2 O10 Sc2 -","2","1","","Kolitsch, Uwe; Schwendtner, Karolina","Crystal structure of scandium arsenate(V) monohydrate, ScAsO~4~ · H~2~O, the first MnMoO~4~ · H~2~O-type arsenate","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","347","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100230","9.57","0.0006","9.57","0.0006","15.8695","0.0011","90","","90","","120","","1258.69","0.14","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B H6 In O11 P2 -","- B H4 In O11 P2 -","- B6 H24 In6 O66 P12 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Menezes, Prashanth; Kniep, Rüdiger","Crystal structure of diaqua-indium catena-monoboro-bisphosphate monohydrate, In(H~2~O)~2~[BP~2~O~8~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","351","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100231","12.811","0.0015","12.811","0.0015","12.811","0.0015","90","","90","","90","","2102.6","0.4","293","2","293","2","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","trilanthanum monolead triiodide","","","- I3 La3 Pb -","- I3 La3 Pb -","- I24 La24 Pb8 -","8","0.166667","","Mattausch, Hansjürgen; Simon, Arndt; Zheng, Chong","Crystal structure of trilanthanum monolead triiodide, La~3~PbI~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","346","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100232","10.6588","0.0006","10.6588","","6.8626","0.0008","90","","90","","90","","779.66","0.11","293","","293","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- Ce Zn11 -","- Ce Zn11 -","- Ce4 Zn44 -","4","0.125","","Zelinska, Oksana; Conrad, Matthias; Harbrecht, Bernd","Refinement of the crystal structure of cerium zinc (1:11), CeZn~11~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","357","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100233","9.0211","0.0003","5.3571","0.0004","12.7802","0.0006","90","","103.176","0.005","90","","601.37","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Na O7 P2 Yb -","- Na O7 P2 Yb -","- Na4 O28 P8 Yb4 -","4","1","","Férid, Mokhtar; Horchani-Naifer, Karima; Trabelsi-Ayedi, Malika","Crystal structure of sodium ytterbium diphosphate, NaYbP~2~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","353","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100234","5.4163","0.0004","9.2982","0.0008","10.2061","0.0009","90","","90","","90","","514","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Nd2 O6 Te -","- Nd2 O6 Te -","- Nd8 O24 Te4 -","4","1","","Meier, Steffen F.; Schleid, Thomas","Crystal structure of dineodymium(III) hexaoxotellurate(VI), Nd~2~TeO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","359","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100235","9.02","0.001","6.694","0.001","10.615","0.001","90","","110.751","0.001","90","","599.4","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 F6 O6 S2 Si2 -","- C2 H4 F6 O6 S2 Si2 -","- C4 H8 F12 O12 S4 Si4 -","2","0.5","","Jäschke, Britta; Jansen, Martin","Crystal structure of 1,2-bis(trifluoromethanesulfonyloxy)disilane, [F~3~CSO~3~SiH~2~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","355","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100236","13.23","0.02","6.864","0.002","9.53","0.01","90","","125.15","0.05","90","","707.1","1.5","296.1","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Rb4 S6 Si2 -","- Rb4 S6 Si2 -","- Rb8 S12 Si4 -","2","0.25","","Kolb, Andreas; Gollackner, Manuela; Klepp, Kurt O.","Crystal structure of tetrarubidium hexathiodisilicate(IV), Rb~4~Si~2~S~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","361","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100237","8.234","0.003","8.234","0.003","44.12","0.02","90","","90","","120","","2590.5","1.8","293","2","295.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba6 In5 N -","- Ba6 In5 N -","- Ba36 In30 N6 -","6","0.166667","","Schlechte, Andreas; Prots, Yurii; Niewa, Rainer","Crystal structure of hexabarium mononitride pentaindide, (Ba~6~N) [In~5~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","349","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103470","4.4605","","4.4605","","9.9","","90","","90","","120","","170.582","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","B (P O4)","","- B O4 P -","- B O4 P -","- B3 O12 P3 -","3","0.5","","Haines, J.; Chateau, C.; Astier, R.; Fertey, P.; Cambon, O.","Crystal structures of alpha-quartz homeotypes boron phosphate and boron arsenate: structure - property relationships","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103862","7.315","","7.4006","","7.6673","","109.941","","90.458","","108.067","","367.93","","","","","","","","","","","","","3","P -1","-P 1","2","","Tl2 (Cr2 O7)","","- Cr2 O7 Tl2 -","- Cr2 O7 Tl2 -","- Cr4 O14 Tl4 -","2","1","","Locock, A.J.; Burns, P.C.","Revised Tl(I)-O bond valence parameters and the structures of thallous dichromae and thallous uranyl phosphate hydrate","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","259","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","161592","2020-10-21","18:00:00",""
"8103863","12.9798","","15.1639","","9.3384","","90","","132.31","","90","","1359.24","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Tl2 (U O2) ((U O2) (P O4))4 (H2 O)2","","- H4 O28 P4 Tl2 U5 -","- O28 P4 Tl2 U5 -","- O56 P8 Tl4 U10 -","2","0.5","","Locock, A.J.; Burns, P.C.","Revised Tl(I)-O bond valence parameters and the structures of thallous dichromae and thallous uranyl phosphate hydrate","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","259","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","161596","2020-10-21","18:00:00",""
"8103888","4.547","","4.547","","10.304","","90","","90","","120","","184.496","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","B (As O4)","","- As B O4 -","- As B O4 -","- As3 B3 O12 -","3","0.5","","Haines, J.; Cambon, O.; Chateau, C.; Astier, R.; Fertey, P.","Crystal structures of alpha-quartz homeotypes boron phosphate and boron arsenate: structure - property relationships","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103997","11.948","","6.855","","7.05","","90","","125.69","","90","","468.972","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ga Cl3","","- Cl3 Ga -","- Cl3 Ga -","- Cl12 Ga4 -","4","0.5","","Troyanov, S.I.; Krahl, T.; Kemnitz, E.","Crystal structures of Ga X3 (X = Cl, Br, I) and Al I3","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103998","8.874","","5.637","","11.006","","90","","107.81","","90","","524.166","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Ga Br3","","- Br3 Ga -","- Br3 Ga -","- Br12 Ga4 -","4","1","","Troyanov, S.I.; Krahl, T.; Kemnitz, E.","Crystal structures of Ga X3 (X = Cl, Br, I) and Al I3","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103999","9.584","","6.084","","11.839","","90","","107.78","","90","","657.348","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Ga I3 -","- Ga I3 -","- Ga4 I12 -","4","1","","Troyanov, S.I.; Krahl, T.; Kemnitz, E.","Crystal structures of Ga X3 (X = Cl, Br, I) and Al I3","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104000","9.591","","6.069","","11.902","","90","","108.05","","90","","658.694","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Al I3 -","- Al I3 -","- Al4 I12 -","4","1","","Troyanov, S.I.; Krahl, T.; Kemnitz, E.","Crystal structures of Ga X3 (X= Cl, Br, I) and Al I3","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","88","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104012","10.1124","","16.4448","","5.6","","90","","104.304","","90","","902.389","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Mn Na (N H4) (P2 O7) (H2 O)3","","- H10 Mn N Na O10 P2 -","- H10 Mn N Na O10 P2 -","- H40 Mn4 N4 Na4 O40 P8 -","4","1","","Capitelli, F.; Brouzi, K.; Harcharras, M.; Moliterni, A.G.G.; Ennaciri, A.; Bertolasi, V.","Two new ammonium diphosphates: crystal structure of Mn0.5 N H4 H2 P2 O7 * (H2 O) and Mn Na N H4 P2 O7 *3(H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104013","7.0029","","7.4401","","7.8771","","80.4437","","71.3592","","87.4081","","383.475","","","","","","","","","","","","","5","P -1","-P 1","2","","Mn0.5 (N H4) (H2 P2 O7) (H2 O)","","- H8 Mn0.5 N O8 P2 -","- H8 Mn0.5 N O8 P2 -","- H16 Mn N2 O16 P4 -","2","1","","Capitelli, F.; Brouzi, K.; Harcharras, M.; Ennaciri, A.; Moliterni, A.G.G.; Bertolasi, V.","Two new ammonium diphosphates: crystal structure of Mn0.5 N H4 H2 P2 O7 * (H2 O) and Mn Na N H4 P2 O7 *3(H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104095","5.9239","","5.9239","","37.096","","90","","90","","120","","1127.39","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Hg6 (Hg O2) (Se O3)2 (Se O4) (H2 O)","","- H2 Hg7 O13 Se3 -","- Hg7.001 O13 Se3 -","- Hg21.003 O39 Se9 -","3","0.333333","","Weil, M.","The crystal structures of Hg7 Se3 O13 H2 and Hg8 Se4 O17 H2 - two mixed-valent mercury oxoselenium coumpound with a multifarious crystal chemistry","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","621","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","164103","2020-10-21","18:00:00",""
"8104096","5.8908","","5.8908","","31.048","","90","","90","","120","","933.067","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Hg7 (Hg O2) (Se O3)2 (Se O4)2 (H2 O)","","- H2 Hg8 O17 Se4 -","- Hg8.001 O17 Se4 -","- Hg16.002 O34 Se8 -","2","0.333333","","Weil, M.","The crystal structures of Hg7 Se3 O13 H2 and Hg8 Se4 O17 H2 - two mixed-valent mercury oxoselenium coumpound with a multifarious crystal chemistry","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","621","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","164106","2020-10-21","18:00:00",""
"9003098","9.775","","9.775","","9.354","","90","","90","","120","","774.037","","","","","","","","","","","","","7","P 6/m c c","-P 6 2c","192","","","Indialite","- Al4.251 Ca0.084 Fe0.06 K0.336 Mg1.94 O18 Si4.749 -","- Al4.251 Ca0.084 Fe0.06 K0.336 Mg1.94 O18 Si4.749 -","- Al8.502 Ca0.168 Fe0.12 K0.672 Mg3.88 O36 Si9.498 -","2","0.0833333","","Balassone, G.; Franco, E.; Mattia, C. A.; Puliti, R.","Indialite in xenolithic rocks from Somma-Vesuvius volcano (Southern Italy): Crystal chemistry and petrogenetic features","American Mineralogist","2004","89","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003099","8.6121","","4.9579","","7.604","","89.892","","114.423","","89.955","","295.621","","","","303.15","","","","","","","","","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O7 Si2 -","- Al H2 Li O7 Si2 -","- Al2 H4 Li2 O14 Si4 -","2","2","","Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.","Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 30 C","American Mineralogist","2004","89","","94","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003100","8.614","","4.9721","","7.551","","89.753","","114.273","","90.154","","294.814","","","","553.15","","","","","","","","","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O6.715 Si2 -","- Al H1.43 Li O6.715 Si2 -","- Al2 H2.86 Li2 O13.43 Si4 -","2","2","","Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.","Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 280 C","American Mineralogist","2004","89","","94","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003101","8.6269","","4.9871","","7.5718","","89.765","","114.097","","90.16","","297.372","","","","","","","","","","","","","5","P 1","P 1","1","","","Bikitaite","- Al H2 Li O6.385 Si2 -","- Al H0.77 Li O6.385 Si2 -","- Al2 H1.54 Li2 O12.77 Si4 -","2","2","","Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.","Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 400","American Mineralogist","2004","89","","94","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003102","8.6274","","4.9898","","7.5729","","89.737","","114.072","","90.169","","297.651","","","","","","","","","","","","","4","P 1","P 1","1","","","Bikitaite","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al2 Li2 O12 Si4 -","2","2","","Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.","Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 468","American Mineralogist","2004","89","","94","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003103","43.505","","9.251","","7.263","","90","","91.32","","90","","2922.33","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","","Antigorite","- H79 Mg48 O147 Si34 -","- H62 Mg48 O147 Si34 -","- H62 Mg48 O147 Si34 -","1","0.5","","Capitani, G.; Mellini, M.","The modulated crystal structure of antigorite: The m = 17 polysome","American Mineralogist","2004","89","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:04",""
"9003104","10.331","","10.331","","10.331","","90","","90","","90","","1102.62","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","Tetrahedrite","- As1.68 Cu11.622 Hg0.198 S13 Sb2.32 -","- As1.68 Cu11.622 Hg0.198 S13 Sb2.32 -","- As3.36 Cu23.244 Hg0.396 S26 Sb4.64 -","2","0.0416667","","Foit, F. F.; Hughes, J. M.","Structural variations in mercurian tetrahedrite Sample A2 from the Spring Creek Claims in Harney County, Oregon","American Mineralogist","2004","89","","159","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003105","10.3794","","10.3794","","10.3794","","90","","90","","90","","1118.19","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","Tetrahedrite","- As0.84 Cu11.28 Hg0.72 S13 Sb3.16 -","- As0.84 Cu11.28 Hg0.72 S13 Sb3.16 -","- As1.68 Cu22.56 Hg1.44 S26 Sb6.32 -","2","0.0416667","","Foit, F. F.; Hughes, J. M.","Structural variations in mercurian tetrahedrite Sample E3 from the Spring Creek Claims in Harney County, Oregon","American Mineralogist","2004","89","","159","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003106","10.3777","","10.3777","","10.3777","","90","","90","","90","","1117.64","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","Tetrahedrite","- As1.08 Cu11.28 Hg0.72 S13 Sb2.92 -","- As1.08 Cu11.28 Hg0.72 S13 Sb2.92 -","- As2.16 Cu22.56 Hg1.44 S26 Sb5.84 -","2","0.0416667","","Foit, F. F.; Hughes, J. M.","Structural variations in mercurian tetrahedrite Sample C2 from the Spring Creek Claims in Harney County, Oregon","American Mineralogist","2004","89","","159","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003107","10.4033","","10.4033","","10.4033","","90","","90","","90","","1125.94","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","Tetrahedrite","- As1.2 Cu10.71 Hg1.23 S13 Sb2.8 -","- As1.2 Cu10.71 Hg1.23 S13 Sb2.8 -","- As2.4 Cu21.42 Hg2.46 S26 Sb5.6 -","2","0.0416667","","Foit, F. F.; Hughes, J. M.","Structural variations in mercurian tetrahedrite Sample E5 from the Spring Creek Claims in Harney County, Oregon","American Mineralogist","2004","89","","159","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003108","9.646","","8.842","","5.201","","90","","108.35","","90","","421.037","","","","","","","","0","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.6 Mg7.4 O24 Si8 -","4","1","","Nestola, F.; Tribaudino, M.; Ballaran, T. B.","High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite Sample: P = 0 GPa","American Mineralogist","2004","89","","189","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003109","9.546","","8.732","","5.149","","90","","108.12","","90","","407.913","","","","","","","","2600000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.6 Mg7.4 O24 Si8 -","4","1","","Nestola, F.; Tribaudino, M.; Ballaran, T. B.","High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite Sample: P = 2.6 GPa","American Mineralogist","2004","89","","189","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003110","9.523","","8.7","","5.136","","90","","107.8","","90","","405.148","","","","","","","","4500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.6 Mg7.4 O24 Si8 -","4","1","","Nestola, F.; Tribaudino, M.; Ballaran, T. B.","High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite Sample: P = 4.5 GPa","American Mineralogist","2004","89","","189","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003111","9.291","","8.679","","4.963","","90","","102.22","","90","","391.132","","","","","","","","6200000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pigeonite","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.6 Mg7.4 O24 Si8 -","4","0.5","","Nestola, F.; Tribaudino, M.; Ballaran, T. B.","High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite Sample: P = 6.2 GPa","American Mineralogist","2004","89","","189","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003112","6.2879","","6.2879","","6.2879","","90","","90","","90","","248.609","","","","298.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl515031, T = 25 C, P = 0.0 kbar, cell volume = 248.61 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003113","6.2987","","6.2987","","6.2987","","90","","90","","90","","249.892","","","","309.15","","","","40000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57689, T = 36 C, P = 0.4 kbar, cell volume = 249.89 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003114","6.3122","","6.3122","","6.3122","","90","","90","","90","","251.502","","","","373.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl515032, T = 100 C, P = 0.0 kbar, cell volume = 251.50 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003115","6.2843","","6.2843","","6.2843","","90","","90","","90","","248.182","","","","373.15","","","","190000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57797, T = 100 C, P = 1.9 kbar, cell volume = 248.18 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003116","6.261","","6.261","","6.261","","90","","90","","90","","245.432","","","","373.15","","","","390000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57761, T = 100 C, P = 3.9 kbar, cell volume = 245.43 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003117","6.2137","","6.2137","","6.2137","","90","","90","","90","","239.911","","","","373.15","","","","860000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57749, T = 100 C, P = 8.6 kbar, cell volume = 239.91 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003118","6.1573","","6.1573","","6.1573","","90","","90","","90","","233.438","","","","373.15","","","","1500000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57701, T = 100 C, P = 15.0 kbar, cell volume = 233.44 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003119","6.3361","","6.3361","","6.3361","","90","","90","","90","","254.37","","","","473.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl515033, T = 200 C, P = 0.0 kbar, cell volume = 254.37 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003120","6.2849","","6.2849","","6.2849","","90","","90","","90","","248.253","","","","473.15","","","","310000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57793, T = 200 C, P = 3.1 kbar, cell volume = 248.25 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003121","6.2593","","6.2593","","6.2593","","90","","90","","90","","245.232","","","","473.15","","","","550000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57765, T = 200 C, P = 5.5 kbar, cell volume = 245.23 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003122","6.2187","","6.2187","","6.2187","","90","","90","","90","","240.491","","","","473.15","","","","1020000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57745, T = 200 C, P = 10.2 kbar, cell volume = 240.49 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003123","6.1671","","6.1671","","6.1671","","90","","90","","90","","234.554","","","","473.15","","","","1570000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57705, T = 200 C, P = 15.7 kbar, cell volume = 234.55 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003124","6.363","","6.363","","6.363","","90","","90","","90","","257.624","","","","573.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl515034, T = 300 C, P = 0.0 kbar, cell volume = 257.62 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003125","6.2682","","6.2682","","6.2682","","90","","90","","90","","246.28","","","","573.15","","","","670000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57769, T = 300 C, P = 6.7 kbar, cell volume = 246.28 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003126","6.2084","","6.2084","","6.2084","","90","","90","","90","","239.298","","","","573.15","","","","1170000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57741, T = 300 C, P = 11.7 kbar, cell volume = 239.30 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003127","6.1835","","6.1835","","6.1835","","90","","90","","90","","236.43","","","","573.15","","","","1620000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57709, T = 300 C, P = 16.2 kbar, cell volume = 236.43 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003128","6.3884","","6.3884","","6.3884","","90","","90","","90","","260.721","","","","673.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl515035, T = 400 C, P = 0.0 kbar, cell volume = 260.72 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003129","6.3012","","6.3012","","6.3012","","90","","90","","90","","250.19","","","","673.15","","","","610000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57789, T = 400 C, P = 6.1 kbar, cell volume = 250.19 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003130","6.2796","","6.2796","","6.2796","","90","","90","","90","","247.626","","","","673.15","","","","860000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57773, T = 400 C, P = 8.6 kbar, cell volume = 247.63 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003131","6.2232","","6.2232","","6.2232","","90","","90","","90","","241.013","","","","673.15","","","","1340000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57737, T = 400 C, P = 13.4 kbar, cell volume = 241.01 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003132","6.1982","","6.1982","","6.1982","","90","","90","","90","","238.12","","","","673.15","","","","1650000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57713, T = 400 C, P = 16.5 kbar, cell volume = 238.12 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003133","6.422","","6.422","","6.422","","90","","90","","90","","264.857","","","","773.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl515036, T = 500 C, P = 0.0 kbar, cell volume = 264.86 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003134","6.286","","6.286","","6.286","","90","","90","","90","","248.384","","","","773.15","","","","890000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57777, T = 500 C, P = 8.9 kbar, cell volume = 248.38 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003135","6.2289","","6.2289","","6.2289","","90","","90","","90","","241.676","","","","773.15","","","","1500000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57733, T = 500 C, P = 15.0 kbar, cell volume = 241.68 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003136","6.2126","","6.2126","","6.2126","","90","","90","","90","","239.784","","","","773.15","","","","1710000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57717, T = 500 C, P = 17.1 kbar, cell volume = 239.78 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003137","6.4644","","6.4644","","6.4644","","90","","90","","90","","270.137","","","","873.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl515037, T = 600 C, P = 0.0 kbar, cell volume = 270.14 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003138","6.3092","","6.3092","","6.3092","","90","","90","","90","","251.144","","","","873.15","","","","990000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57781, T = 600 C, P = 9.9 kbar, cell volume = 251.14 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003139","6.2341","","6.2341","","6.2341","","90","","90","","90","","242.282","","","","873.15","","","","1730000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57721, T = 600 C, P = 17.3 kbar, cell volume = 242.28 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003140","6.2282","","6.2282","","6.2282","","90","","90","","90","","241.595","","","","873.15","","","","1730000","","","","","2","F m -3 m","-F 4 2 3","225","","","Sylvite","- Cl K -","- Cl K -","- Cl4 K4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57725, T = 600 C, P = 17.3 kbar, cell volume = 241.59 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003141","6.2347","","6.2347","","6.2347","","90","","90","","90","","242.352","","","","298.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.9 Na0.1 -","- Cl K0.9 Na0.1 -","- Cl4 K3.6 Na0.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: b&w, T = 25 C, P = 0.0 kbar, cell volume = 242.35 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003142","6.3654","","6.3654","","6.3654","","90","","90","","90","","257.915","","","","773.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.9 Na0.1 -","- Cl K0.9 Na0.1 -","- Cl4 K3.6 Na0.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als3k90, T = 500 C, P = 0.0 kbar, cell volume = 257.91 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003143","6.4028","","6.4028","","6.4028","","90","","90","","90","","262.488","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.9 Na0.1 -","- Cl K0.9 Na0.1 -","- Cl4 K3.6 Na0.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als2k90, T = 600 C, P = 0.0 kbar, cell volume = 262.49 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003144","6.1839","","6.1839","","6.1839","","90","","90","","90","","236.476","","","","296.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: b&w, T = 23 C, P = 0.0 kbar, cell volume = 236.48 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003145","6.2517","","6.2517","","6.2517","","90","","90","","90","","244.34","","","","573.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als11k80, T = 300 C, P = 0.0 kbar, cell volume = 244.34 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003146","6.21","","6.21","","6.21","","90","","90","","90","","239.483","","","","573.15","","","","360000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55633, T = 300 C, P = 3.6 kbar, cell volume = 239.48 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003147","6.2644","","6.2644","","6.2644","","90","","90","","90","","245.832","","","","623.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als10k80, T = 350 C, P = 0.0 kbar, cell volume = 245.83 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003148","6.076","","6.076","","6.076","","90","","90","","90","","224.312","","","","623.15","","","","1720000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55501, T = 350 C, P = 17.2 kbar, cell volume = 224.31 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003149","6.278","","6.278","","6.278","","90","","90","","90","","247.437","","","","673.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als9k80, T = 400 C, P = 0.0 kbar, cell volume = 247.44 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003150","6.2169","","6.2169","","6.2169","","90","","90","","90","","240.282","","","","673.15","","","","520000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55629, T = 400 C, P = 5.2 kbar, cell volume = 240.28 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003151","6.0757","","6.0757","","6.0757","","90","","90","","90","","224.279","","","","723.15","","","","1900000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55493, T = 450 C, P = 19.0 kbar, cell volume = 224.28 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003152","6.1674","","6.1674","","6.1674","","90","","90","","90","","234.588","","","","748.15","","","","1210000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53261, T = 475 C, P = 12.1 kbar, cell volume = 234.59 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003153","6.3108","","6.3108","","6.3108","","90","","90","","90","","251.335","","","","773.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als7k80, T = 500 C, P = 0.0 kbar, cell volume = 251.33 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003154","6.2263","","6.2263","","6.2263","","90","","90","","90","","241.374","","","","773.15","","","","700000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55617, T = 500 C, P = 7.0 kbar, cell volume = 241.37 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003155","6.1884","","6.1884","","6.1884","","90","","90","","90","","236.993","","","","773.15","","","","960000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55577, T = 500 C, P = 9.6 kbar, cell volume = 236.99 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003156","6.1696","","6.1696","","6.1696","","90","","90","","90","","234.839","","","","773.15","","","","1230000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53253, T = 500 C, P = 12.3 kbar, cell volume = 234.84 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003157","6.1321","","6.1321","","6.1321","","90","","90","","90","","230.583","","","","773.15","","","","1500000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55377, T = 500 C, P = 15.0 kbar, cell volume = 230.58 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003158","6.1188","","6.1188","","6.1188","","90","","90","","90","","229.086","","","","773.15","","","","1800000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53197, T = 500 C, P = 18.0 kbar, cell volume = 229.09 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003159","6.3272","","6.3272","","6.3272","","90","","90","","90","","253.3","","","","823.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als6k80, T = 550 C, P = 0.0 kbar, cell volume = 253.30 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003160","6.1999","","6.1999","","6.1999","","90","","90","","90","","238.316","","","","823.15","","","","1010000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55589, T = 550 C, P = 10.1 kbar, cell volume = 238.32 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003161","6.1709","","6.1709","","6.1709","","90","","90","","90","","234.988","","","","823.15","","","","1330000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53249, T = 550 C, P = 13.3 kbar, cell volume = 234.99 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003162","6.1348","","6.1348","","6.1348","","90","","90","","90","","230.888","","","","823.15","","","","1600000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55373, T = 550 C, P = 16.0 kbar, cell volume = 230.89 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003163","6.1224","","6.1224","","6.1224","","90","","90","","90","","229.491","","","","823.15","","","","1810000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53201, T = 550 C, P = 18.1 kbar, cell volume = 229.49 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003164","6.3484","","6.3484","","6.3484","","90","","90","","90","","255.854","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als5k80, T = 600 C, P = 0.0 kbar, cell volume = 255.85 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003165","6.2049","","6.2049","","6.2049","","90","","90","","90","","238.894","","","","873.15","","","","750000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55593, T = 600 C, P = 7.5 kbar, cell volume = 238.89 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003166","6.2268","","6.2268","","6.2268","","90","","90","","90","","241.432","","","","873.15","","","","750000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55613, T = 600 C, P = 7.5 kbar, cell volume = 241.43 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003167","6.1756","","6.1756","","6.1756","","90","","90","","90","","235.525","","","","873.15","","","","1400000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53237, T = 600 C, P = 14.0 kbar, cell volume = 235.53 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003168","6.1371","","6.1371","","6.1371","","90","","90","","90","","231.148","","","","873.15","","","","1700000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55369, T = 600 C, P = 17.0 kbar, cell volume = 231.15 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003169","6.13","","6.13","","6.13","","90","","90","","90","","230.346","","","","873.15","","","","1810000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53205, T = 600 C, P = 18.1 kbar, cell volume = 230.35 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003170","6.3651","","6.3651","","6.3651","","90","","90","","90","","257.879","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als3k80, T = 650 C, P = 0.0 kbar, cell volume = 257.88 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003171","6.3714","","6.3714","","6.3714","","90","","90","","90","","258.645","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als4k80, T = 650 C, P = 0.0 kbar, cell volume = 258.64 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003172","6.217","","6.217","","6.217","","90","","90","","90","","240.294","","","","923.15","","","","770000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55597, T = 650 C, P = 7.7 kbar, cell volume = 240.29 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003173","6.1804","","6.1804","","6.1804","","90","","90","","90","","236.075","","","","923.15","","","","1460000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53233, T = 650 C, P = 14.6 kbar, cell volume = 236.07 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003174","6.1441","","6.1441","","6.1441","","90","","90","","90","","231.94","","","","923.15","","","","1860000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53217, T = 650 C, P = 18.6 kbar, cell volume = 231.94 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003175","6.2264","","6.2264","","6.2264","","90","","90","","90","","241.385","","","","973.15","","","","800000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55601, T = 700 C, P = 8.0 kbar, cell volume = 241.39 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003176","6.1781","","6.1781","","6.1781","","90","","90","","90","","235.811","","","","973.15","","","","1560000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53221, T = 700 C, P = 15.6 kbar, cell volume = 235.81 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003177","6.1421","","6.1421","","6.1421","","90","","90","","90","","231.713","","","","973.15","","","","1900000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.8 Na0.2 -","- Cl K0.8 Na0.2 -","- Cl4 K3.2 Na0.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r55365, T = 700 C, P = 19.0 kbar, cell volume = 231.71 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003178","6.1161","","6.1161","","6.1161","","90","","90","","90","","228.783","","","","298.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.7 Na0.3 -","- Cl K0.7 Na0.3 -","- Cl4 K2.8 Na1.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: b&w, T = 25 C, P = 0.0 kbar, cell volume = 228.78 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003179","6.2559","","6.2559","","6.2559","","90","","90","","90","","244.833","","","","773.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.7 Na0.3 -","- Cl K0.7 Na0.3 -","- Cl4 K2.8 Na1.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als4k70, T = 500 C, P = 0.0 kbar, cell volume = 244.83 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003180","6.2763","","6.2763","","6.2763","","90","","90","","90","","247.236","","","","823.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.7 Na0.3 -","- Cl K0.7 Na0.3 -","- Cl4 K2.8 Na1.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als3k70, T = 550 C, P = 0.0 kbar, cell volume = 247.23 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003181","6.2962","","6.2962","","6.2962","","90","","90","","90","","249.595","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.7 Na0.3 -","- Cl K0.7 Na0.3 -","- Cl4 K2.8 Na1.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als2k70, T = 600 C, P = 0.0 kbar, cell volume = 249.59 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003182","6.3194","","6.3194","","6.3194","","90","","90","","90","","252.364","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.7 Na0.3 -","- Cl K0.7 Na0.3 -","- Cl4 K2.8 Na1.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als1k70, T = 650 C, P = 0.0 kbar, cell volume = 252.36 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003183","6.0541","","6.0541","","6.0541","","90","","90","","90","","221.896","","","","298.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: b&w, T = 25 C, P = 0.0 kbar, cell volume = 221.90 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003184","6.0023","","6.0023","","6.0023","","90","","90","","90","","216.248","","","","673.15","","","","1500000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54811, T = 400 C, P = 15.0 kbar, cell volume = 216.25 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003185","6.0684","","6.0684","","6.0684","","90","","90","","90","","223.472","","","","723.15","","","","880000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54935, T = 450 C, P = 8.8 kbar, cell volume = 223.47 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003186","6.069","","6.069","","6.069","","90","","90","","90","","223.538","","","","723.15","","","","890000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54883, T = 450 C, P = 8.9 kbar, cell volume = 223.54 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003187","6.0041","","6.0041","","6.0041","","90","","90","","90","","216.443","","","","723.15","","","","1570000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54807, T = 450 C, P = 15.7 kbar, cell volume = 216.44 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003188","6.1957","","6.1957","","6.1957","","90","","90","","90","","237.832","","","","773.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als13k60, T = 500 C, P = 0.0 kbar, cell volume = 237.83 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003189","6.0687","","6.0687","","6.0687","","90","","90","","90","","223.505","","","","773.15","","","","980000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54907, T = 500 C, P = 9.8 kbar, cell volume = 223.50 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003190","6.0731","","6.0731","","6.0731","","90","","90","","90","","223.991","","","","773.15","","","","980000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54927, T = 500 C, P = 9.8 kbar, cell volume = 223.99 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003191","6.0724","","6.0724","","6.0724","","90","","90","","90","","223.914","","","","773.15","","","","1010000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54879, T = 500 C, P = 10.1 kbar, cell volume = 223.91 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003192","6.0448","","6.0448","","6.0448","","90","","90","","90","","220.875","","","","773.15","","","","1190000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r52113, T = 500 C, P = 11.9 kbar, cell volume = 220.87 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003193","6.0066","","6.0066","","6.0066","","90","","90","","90","","216.714","","","","773.15","","","","1650000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54803, T = 500 C, P = 16.5 kbar, cell volume = 216.71 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003194","6.216","","6.216","","6.216","","90","","90","","90","","240.178","","","","823.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als12k60, T = 550 C, P = 0.0 kbar, cell volume = 240.18 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003195","6.0785","","6.0785","","6.0785","","90","","90","","90","","224.589","","","","823.15","","","","1120000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54875, T = 550 C, P = 11.2 kbar, cell volume = 224.59 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003196","6.0483","","6.0483","","6.0483","","90","","90","","90","","221.259","","","","823.15","","","","1260000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r52105, T = 550 C, P = 12.6 kbar, cell volume = 221.26 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003197","6.0081","","6.0081","","6.0081","","90","","90","","90","","216.876","","","","823.15","","","","1730000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54795, T = 550 C, P = 17.3 kbar, cell volume = 216.88 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003198","6.2395","","6.2395","","6.2395","","90","","90","","90","","242.912","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als11k60, T = 600 C, P = 0.0 kbar, cell volume = 242.91 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003199","6.2339","","6.2339","","6.2339","","90","","90","","90","","242.259","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als5k60, T = 600 C, P = 0.0 kbar, cell volume = 242.26 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003200","6.2355","","6.2355","","6.2355","","90","","90","","90","","242.445","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als6k60, T = 600 C, P = 0.0 kbar, cell volume = 242.45 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003201","6.0747","","6.0747","","6.0747","","90","","90","","90","","224.168","","","","873.15","","","","1150000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54911, T = 600 C, P = 11.5 kbar, cell volume = 224.17 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003202","6.0691","","6.0691","","6.0691","","90","","90","","90","","223.549","","","","873.15","","","","1240000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54863, T = 600 C, P = 12.4 kbar, cell volume = 223.55 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003203","6.0385","","6.0385","","6.0385","","90","","90","","90","","220.185","","","","873.15","","","","1540000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r52081, T = 600 C, P = 15.4 kbar, cell volume = 220.18 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003204","6.005","","6.005","","6.005","","90","","90","","90","","216.54","","","","873.15","","","","1880000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54827, T = 600 C, P = 18.8 kbar, cell volume = 216.54 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003205","6.2601","","6.2601","","6.2601","","90","","90","","90","","245.326","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als9k60, T = 650 C, P = 0.0 kbar, cell volume = 245.33 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003206","6.26","","6.26","","6.26","","90","","90","","90","","245.314","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als7k60, T = 650 C, P = 0.0 kbar, cell volume = 245.31 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003207","6.2595","","6.2595","","6.2595","","90","","90","","90","","245.256","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als8k60, T = 650 C, P = 0.0 kbar, cell volume = 245.25 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003208","6.2626","","6.2626","","6.2626","","90","","90","","90","","245.62","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als10k60, T = 650 C, P = 0.0 kbar, cell volume = 245.62 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003209","6.0717","","6.0717","","6.0717","","90","","90","","90","","223.837","","","","923.15","","","","1240000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54867, T = 650 C, P = 12.4 kbar, cell volume = 223.84 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003210","6.0427","","6.0427","","6.0427","","90","","90","","90","","220.644","","","","923.15","","","","1510000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r52085, T = 650 C, P = 15.1 kbar, cell volume = 220.64 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003211","6.0042","","6.0042","","6.0042","","90","","90","","90","","216.454","","","","923.15","","","","1960000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54835, T = 650 C, P = 19.6 kbar, cell volume = 216.45 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003212","6.0062","","6.0062","","6.0062","","90","","90","","90","","216.67","","","","923.15","","","","1960000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54783, T = 650 C, P = 19.6 kbar, cell volume = 216.67 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003213","6.0873","","6.0873","","6.0873","","90","","90","","90","","225.566","","","","973.15","","","","1240000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54871, T = 700 C, P = 12.4 kbar, cell volume = 225.57 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003214","6.0574","","6.0574","","6.0574","","90","","90","","90","","222.259","","","","973.15","","","","1530000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r52097, T = 700 C, P = 15.3 kbar, cell volume = 222.26 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003215","6.0134","","6.0134","","6.0134","","90","","90","","90","","217.45","","","","973.15","","","","1970000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.6 Na0.4 -","- Cl K0.6 Na0.4 -","- Cl4 K2.4 Na1.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54787, T = 700 C, P = 19.7 kbar, cell volume = 217.45 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003216","5.9904","","5.9904","","5.9904","","90","","90","","90","","214.965","","","","298.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.5 Na0.5 -","- Cl K0.5 Na0.5 -","- Cl4 K2 Na2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: b&w, T = 25 C, P = 0.0 kbar, cell volume = 214.96 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003217","6.1262","","6.1262","","6.1262","","90","","90","","90","","229.918","","","","773.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.5 Na0.5 -","- Cl K0.5 Na0.5 -","- Cl4 K2 Na2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als4k50, T = 500 C, P = 0.0 kbar, cell volume = 229.92 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003218","6.1449","","6.1449","","6.1449","","90","","90","","90","","232.03","","","","823.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.5 Na0.5 -","- Cl K0.5 Na0.5 -","- Cl4 K2 Na2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als3k50, T = 550 C, P = 0.0 kbar, cell volume = 232.03 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003219","6.166","","6.166","","6.166","","90","","90","","90","","234.429","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.5 Na0.5 -","- Cl K0.5 Na0.5 -","- Cl4 K2 Na2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als2k50, T = 600 C, P = 0.0 kbar, cell volume = 234.43 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003220","6.1899","","6.1899","","6.1899","","90","","90","","90","","237.165","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.5 Na0.5 -","- Cl K0.5 Na0.5 -","- Cl4 K2 Na2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als1k50, T = 650 C, P = 0.0 kbar, cell volume = 237.16 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003221","5.9246","","5.9246","","5.9246","","90","","90","","90","","207.959","","","","298.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: b&w, T = 25 C, P = 0.0 kbar, cell volume = 207.96 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003222","5.8498","","5.8498","","5.8498","","90","","90","","90","","200.181","","","","673.15","","","","1690000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54490, T = 400 C, P = 16.9 kbar, cell volume = 200.18 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003223","5.9672","","5.9672","","5.9672","","90","","90","","90","","212.477","","","","723.15","","","","760000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57084, T = 450 C, P = 7.6 kbar, cell volume = 212.48 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003224","5.8838","","5.8838","","5.8838","","90","","90","","90","","203.692","","","","723.15","","","","1590000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57152, T = 450 C, P = 15.9 kbar, cell volume = 203.69 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003225","5.8475","","5.8475","","5.8475","","90","","90","","90","","199.945","","","","723.15","","","","2060000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57212, T = 450 C, P = 20.6 kbar, cell volume = 199.95 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003226","6.0623","","6.0623","","6.0623","","90","","90","","90","","222.799","","","","773.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als6k40, T = 500 C, P = 0.0 kbar, cell volume = 222.80 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003227","5.9715","","5.9715","","5.9715","","90","","90","","90","","212.937","","","","773.15","","","","860000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57080, T = 500 C, P = 8.6 kbar, cell volume = 212.94 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003228","5.9084","","5.9084","","5.9084","","90","","90","","90","","206.257","","","","773.15","","","","1220000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54394, T = 500 C, P = 12.2 kbar, cell volume = 206.26 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003229","5.8863","","5.8863","","5.8863","","90","","90","","90","","203.952","","","","773.15","","","","1690000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57148, T = 500 C, P = 16.9 kbar, cell volume = 203.95 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003230","5.8553","","5.8553","","5.8553","","90","","90","","90","","200.746","","","","773.15","","","","1860000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54486, T = 500 C, P = 18.6 kbar, cell volume = 200.75 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003231","6.0833","","6.0833","","6.0833","","90","","90","","90","","225.122","","","","823.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als5k40, T = 550 C, P = 0.0 kbar, cell volume = 225.12 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003232","5.9778","","5.9778","","5.9778","","90","","90","","90","","213.611","","","","823.15","","","","960000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57076, T = 550 C, P = 9.6 kbar, cell volume = 213.61 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003233","5.9123","","5.9123","","5.9123","","90","","90","","90","","206.666","","","","823.15","","","","1320000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54390, T = 550 C, P = 13.2 kbar, cell volume = 206.67 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003234","5.8884","","5.8884","","5.8884","","90","","90","","90","","204.17","","","","823.15","","","","1780000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57144, T = 550 C, P = 17.8 kbar, cell volume = 204.17 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003235","5.8515","","5.8515","","5.8515","","90","","90","","90","","200.356","","","","823.15","","","","2290000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57204, T = 550 C, P = 22.9 kbar, cell volume = 200.36 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003236","6.1046","","6.1046","","6.1046","","90","","90","","90","","227.495","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als4k40, T = 600 C, P = 0.0 kbar, cell volume = 227.50 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003237","5.9146","","5.9146","","5.9146","","90","","90","","90","","206.907","","","","873.15","","","","1410000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54382, T = 600 C, P = 14.1 kbar, cell volume = 206.91 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003238","5.9121","","5.9121","","5.9121","","90","","90","","90","","206.645","","","","873.15","","","","1410000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54414, T = 600 C, P = 14.1 kbar, cell volume = 206.65 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003239","5.9108","","5.9108","","5.9108","","90","","90","","90","","206.509","","","","873.15","","","","1410000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54426, T = 600 C, P = 14.1 kbar, cell volume = 206.51 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003240","5.8823","","5.8823","","5.8823","","90","","90","","90","","203.536","","","","873.15","","","","1840000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53017, T = 600 C, P = 18.4 kbar, cell volume = 203.54 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003241","5.8598","","5.8598","","5.8598","","90","","90","","90","","201.209","","","","873.15","","","","2040000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54482, T = 600 C, P = 20.4 kbar, cell volume = 201.21 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003242","5.8478","","5.8478","","5.8478","","90","","90","","90","","199.976","","","","873.15","","","","2120000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54470, T = 600 C, P = 21.2 kbar, cell volume = 199.98 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003243","5.8843","","5.8843","","5.8843","","90","","90","","90","","203.744","","","","898.15","","","","1830000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53021, T = 625 C, P = 18.3 kbar, cell volume = 203.74 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003244","6.1264","","6.1264","","6.1264","","90","","90","","90","","229.941","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als3k40, T = 650 C, P = 0.0 kbar, cell volume = 229.94 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003245","5.9911","","5.9911","","5.9911","","90","","90","","90","","215.04","","","","923.15","","","","1150000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57068, T = 650 C, P = 11.5 kbar, cell volume = 215.04 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003246","5.9123","","5.9123","","5.9123","","90","","90","","90","","206.666","","","","923.15","","","","1590000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54366, T = 650 C, P = 15.9 kbar, cell volume = 206.67 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003247","5.8919","","5.8919","","5.8919","","90","","90","","90","","204.534","","","","923.15","","","","1820000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53025, T = 650 C, P = 18.2 kbar, cell volume = 204.53 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003248","5.8989","","5.8989","","5.8989","","90","","90","","90","","205.264","","","","923.15","","","","1960000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57136, T = 650 C, P = 19.6 kbar, cell volume = 205.26 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003249","5.8552","","5.8552","","5.8552","","90","","90","","90","","200.736","","","","923.15","","","","2520000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57196, T = 650 C, P = 25.2 kbar, cell volume = 200.74 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003250","5.8954","","5.8954","","5.8954","","90","","90","","90","","204.899","","","","948.15","","","","1810000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53029, T = 675 C, P = 18.1 kbar, cell volume = 204.90 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003251","5.9961","","5.9961","","5.9961","","90","","90","","90","","215.579","","","","973.15","","","","1250000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57064, T = 700 C, P = 12.5 kbar, cell volume = 215.58 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003252","5.9237","","5.9237","","5.9237","","90","","90","","90","","207.864","","","","973.15","","","","1600000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54370, T = 700 C, P = 16.0 kbar, cell volume = 207.86 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003253","5.9237","","5.9237","","5.9237","","90","","90","","90","","207.864","","","","973.15","","","","1630000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53053, T = 700 C, P = 16.3 kbar, cell volume = 207.86 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003254","5.9111","","5.9111","","5.9111","","90","","90","","90","","206.54","","","","973.15","","","","1800000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53041, T = 700 C, P = 18.0 kbar, cell volume = 206.54 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003255","5.8999","","5.8999","","5.8999","","90","","90","","90","","205.369","","","","973.15","","","","2060000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57132, T = 700 C, P = 20.6 kbar, cell volume = 205.37 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003256","5.8655","","5.8655","","5.8655","","90","","90","","90","","201.797","","","","973.15","","","","2210000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r54474, T = 700 C, P = 22.1 kbar, cell volume = 201.80 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003257","5.8566","","5.8566","","5.8566","","90","","90","","90","","200.88","","","","973.15","","","","2600000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r57240, T = 700 C, P = 26.0 kbar, cell volume = 200.88 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003258","5.9236","","5.9236","","5.9236","","90","","90","","90","","207.853","","","","1023.15","","","","1720000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.4 Na0.6 -","- Cl K0.4 Na0.6 -","- Cl4 K1.6 Na2.4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53049, T = 750 C, P = 17.2 kbar, cell volume = 207.85 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003259","5.8568","","5.8568","","5.8568","","90","","90","","90","","200.901","","","","298.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.3 Na0.7 -","- Cl K0.3 Na0.7 -","- Cl4 K1.2 Na2.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: b&w, T = 25 C, P = 0.0 kbar, cell volume = 200.90 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003260","5.9915","","5.9915","","5.9915","","90","","90","","90","","215.083","","","","781.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.3 Na0.7 -","- Cl K0.3 Na0.7 -","- Cl4 K1.2 Na2.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als6k30, T = 508 C, P = 0.0 kbar, cell volume = 215.08 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003261","6.0103","","6.0103","","6.0103","","90","","90","","90","","217.114","","","","823.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.3 Na0.7 -","- Cl K0.3 Na0.7 -","- Cl4 K1.2 Na2.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als5k30, T = 550 C, P = 0.0 kbar, cell volume = 217.11 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003262","6.031","","6.031","","6.031","","90","","90","","90","","219.365","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.3 Na0.7 -","- Cl K0.3 Na0.7 -","- Cl4 K1.2 Na2.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als4k30, T = 600 C, P = 0.0 kbar, cell volume = 219.37 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003263","6.0524","","6.0524","","6.0524","","90","","90","","90","","221.709","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.3 Na0.7 -","- Cl K0.3 Na0.7 -","- Cl4 K1.2 Na2.8 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als3k30, T = 650 C, P = 0.0 kbar, cell volume = 221.71 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003264","5.7868","","5.7868","","5.7868","","90","","90","","90","","193.783","","","","298.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: b&w, T = 25 C, P = 0.0 kbar, cell volume = 193.78 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003265","5.763","","5.763","","5.763","","90","","90","","90","","191.402","","","","623.15","","","","1180000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56329, T = 350 C, P = 11.8 kbar, cell volume = 191.40 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003266","5.7615","","5.7615","","5.7615","","90","","90","","90","","191.252","","","","623.15","","","","1240000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56361, T = 350 C, P = 12.4 kbar, cell volume = 191.25 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003267","5.6958","","5.6958","","5.6958","","90","","90","","90","","184.784","","","","623.15","","","","2100000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56417, T = 350 C, P = 21.0 kbar, cell volume = 184.78 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003268","5.7676","","5.7676","","5.7676","","90","","90","","90","","191.86","","","","673.15","","","","1260000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56325, T = 400 C, P = 12.6 kbar, cell volume = 191.86 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003269","5.6981","","5.6981","","5.6981","","90","","90","","90","","185.008","","","","673.15","","","","2190000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56413, T = 400 C, P = 21.9 kbar, cell volume = 185.01 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003270","5.7714","","5.7714","","5.7714","","90","","90","","90","","192.24","","","","723.15","","","","1340000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56321, T = 450 C, P = 13.4 kbar, cell volume = 192.24 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003271","5.701","","5.701","","5.701","","90","","90","","90","","185.29","","","","723.15","","","","2280000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56409, T = 450 C, P = 22.8 kbar, cell volume = 185.29 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003272","5.9229","","5.9229","","5.9229","","90","","90","","90","","207.78","","","","773.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als9k20, T = 500 C, P = 0.0 kbar, cell volume = 207.78 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003273","5.7759","","5.7759","","5.7759","","90","","90","","90","","192.69","","","","773.15","","","","1420000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56317, T = 500 C, P = 14.2 kbar, cell volume = 192.69 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003274","5.7625","","5.7625","","5.7625","","90","","90","","90","","191.352","","","","773.15","","","","1580000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53621, T = 500 C, P = 15.8 kbar, cell volume = 191.35 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003275","5.7044","","5.7044","","5.7044","","90","","90","","90","","185.622","","","","773.15","","","","2360000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56405, T = 500 C, P = 23.6 kbar, cell volume = 185.62 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003276","5.9447","","5.9447","","5.9447","","90","","90","","90","","210.082","","","","823.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als8k20, T = 550 C, P = 0.0 kbar, cell volume = 210.08 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003277","5.7795","","5.7795","","5.7795","","90","","90","","90","","193.05","","","","823.15","","","","1500000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56313, T = 550 C, P = 15.0 kbar, cell volume = 193.05 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003278","5.7516","","5.7516","","5.7516","","90","","90","","90","","190.268","","","","823.15","","","","1760000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53693, T = 550 C, P = 17.6 kbar, cell volume = 190.27 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003279","5.7071","","5.7071","","5.7071","","90","","90","","90","","185.886","","","","823.15","","","","2450000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56401, T = 550 C, P = 24.5 kbar, cell volume = 185.89 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003280","5.699","","5.699","","5.699","","90","","90","","90","","185.096","","","","823.15","","","","2510000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56429, T = 550 C, P = 25.1 kbar, cell volume = 185.10 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003281","5.6991","","5.6991","","5.6991","","90","","90","","90","","185.105","","","","823.15","","","","2510000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56437, T = 550 C, P = 25.1 kbar, cell volume = 185.11 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003282","5.7033","","5.7033","","5.7033","","90","","90","","90","","185.515","","","","823.15","","","","2520000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56453, T = 550 C, P = 25.2 kbar, cell volume = 185.51 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003283","5.963","","5.963","","5.963","","90","","90","","90","","212.029","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als7k20, T = 600 C, P = 0.0 kbar, cell volume = 212.03 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003284","5.7836","","5.7836","","5.7836","","90","","90","","90","","193.462","","","","873.15","","","","1580000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56309, T = 600 C, P = 15.8 kbar, cell volume = 193.46 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003285","5.7656","","5.7656","","5.7656","","90","","90","","90","","191.661","","","","873.15","","","","1740000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56281, T = 600 C, P = 17.4 kbar, cell volume = 191.66 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003286","5.7658","","5.7658","","5.7658","","90","","90","","90","","191.681","","","","873.15","","","","1770000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53633, T = 600 C, P = 17.7 kbar, cell volume = 191.68 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003287","5.7096","","5.7096","","5.7096","","90","","90","","90","","186.13","","","","873.15","","","","2540000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56397, T = 600 C, P = 25.4 kbar, cell volume = 186.13 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003288","5.7311","","5.7311","","5.7311","","90","","90","","90","","188.241","","","","883.15","","","","1960000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53573, T = 610 C, P = 19.6 kbar, cell volume = 188.24 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003289","5.7443","","5.7443","","5.7443","","90","","90","","90","","189.545","","","","893.15","","","","1940000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53581, T = 620 C, P = 19.4 kbar, cell volume = 189.54 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003290","5.7733","","5.7733","","5.7733","","90","","90","","90","","192.43","","","","898.15","","","","1750000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56289, T = 625 C, P = 17.5 kbar, cell volume = 192.43 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003291","5.7483","","5.7483","","5.7483","","90","","90","","90","","189.941","","","","903.15","","","","1920000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53585, T = 630 C, P = 19.2 kbar, cell volume = 189.94 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003292","5.7535","","5.7535","","5.7535","","90","","90","","90","","190.457","","","","913.15","","","","1900000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53589, T = 640 C, P = 19.0 kbar, cell volume = 190.46 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003293","5.9851","","5.9851","","5.9851","","90","","90","","90","","214.395","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als6k20, T = 650 C, P = 0.0 kbar, cell volume = 214.39 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003294","5.779","","5.779","","5.779","","90","","90","","90","","193","","","","923.15","","","","1750000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56293, T = 650 C, P = 17.5 kbar, cell volume = 193.00 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003295","5.7784","","5.7784","","5.7784","","90","","90","","90","","192.94","","","","923.15","","","","1820000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56357, T = 650 C, P = 18.2 kbar, cell volume = 192.94 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003296","5.7764","","5.7764","","5.7764","","90","","90","","90","","192.74","","","","923.15","","","","1820000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56373, T = 650 C, P = 18.2 kbar, cell volume = 192.74 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003297","5.7576","","5.7576","","5.7576","","90","","90","","90","","190.864","","","","923.15","","","","1880000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53593, T = 650 C, P = 18.8 kbar, cell volume = 190.86 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003298","5.7124","","5.7124","","5.7124","","90","","90","","90","","186.404","","","","923.15","","","","2630000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56393, T = 650 C, P = 26.3 kbar, cell volume = 186.40 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003299","5.7092","","5.7092","","5.7092","","90","","90","","90","","186.091","","","","923.15","","","","2680000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56381, T = 650 C, P = 26.8 kbar, cell volume = 186.09 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003300","5.7693","","5.7693","","5.7693","","90","","90","","90","","192.03","","","","948.15","","","","1900000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r53601, T = 675 C, P = 19.0 kbar, cell volume = 192.03 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003301","5.7898","","5.7898","","5.7898","","90","","90","","90","","194.084","","","","973.15","","","","1750000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56297, T = 700 C, P = 17.5 kbar, cell volume = 194.08 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003302","5.7133","","5.7133","","5.7133","","90","","90","","90","","186.492","","","","973.15","","","","2720000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56385, T = 700 C, P = 27.2 kbar, cell volume = 186.49 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003303","5.7084","","5.7084","","5.7084","","90","","90","","90","","186.013","","","","973.15","","","","2820000","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.2 Na0.8 -","- Cl K0.2 Na0.8 -","- Cl4 K0.8 Na3.2 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: r56441, T = 700 C, P = 28.2 kbar, cell volume = 186.01 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003304","5.7143","","5.7143","","5.7143","","90","","90","","90","","186.59","","","","298.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.1 Na0.9 -","- Cl K0.1 Na0.9 -","- Cl4 K0.4 Na3.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: b&w, T = 25 C, P = 0.0 kbar, cell volume = 186.59 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003305","5.8632","","5.8632","","5.8632","","90","","90","","90","","201.56","","","","823.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.1 Na0.9 -","- Cl K0.1 Na0.9 -","- Cl4 K0.4 Na3.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als3k10, T = 550 C, P = 0.0 kbar, cell volume = 201.56 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003306","5.884","","5.884","","5.884","","90","","90","","90","","203.713","","","","873.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.1 Na0.9 -","- Cl K0.1 Na0.9 -","- Cl4 K0.4 Na3.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als2k10, T = 600 C, P = 0.0 kbar, cell volume = 203.71 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003307","5.9032","","5.9032","","5.9032","","90","","90","","90","","205.713","","","","923.15","","","","0","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl K0.1 Na0.9 -","- Cl K0.1 Na0.9 -","- Cl4 K0.4 Na3.6 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: als1k10, T = 650 C, P = 0.0 kbar, cell volume = 205.71 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003308","5.6401","","5.6401","","5.6401","","90","","90","","90","","179.416","","","","298.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl416031, T = 25 C, P = 0.0 kbar, cell volume = 179.42 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003309","5.653","","5.653","","5.653","","90","","90","","90","","180.65","","","","373.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl416032, T = 100 C, P = 0.0 kbar, cell volume = 180.65 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003310","5.685","","5.685","","5.685","","90","","90","","90","","183.735","","","","473.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl416033, T = 200 C, P = 0.0 kbar, cell volume = 183.73 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003311","5.7071","","5.7071","","5.7071","","90","","90","","90","","185.886","","","","573.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl416034, T = 300 C, P = 0.0 kbar, cell volume = 185.89 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003312","5.732","","5.732","","5.732","","90","","90","","90","","188.33","","","","673.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl416035, T = 400 C, P = 0.0 kbar, cell volume = 188.33 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003313","5.7632","","5.7632","","5.7632","","90","","90","","90","","191.422","","","","773.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl416036, T = 500 C, P = 0.0 kbar, cell volume = 191.42 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003314","5.7915","","5.7915","","5.7915","","90","","90","","90","","194.255","","","","873.15","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Halite","- Cl Na -","- Cl Na -","- Cl4 Na4 -","4","0.0208333","","Walker, D.; Verma, P. K.; Cranswick, L. M. D.; Jones, R. L.; Clark, S. M.; Buhre, S.","Halite-sylvite thermoelasticity Sample: msl416037, T = 600 C, P = 0.0 kbar, cell volume = 194.26 ang**3","American Mineralogist","2004","89","","204","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003315","5.3791","","9.319","","10.2918","","90","","100.186","","90","","507.774","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Shirozulite","- Al1.74 Ba0.09 F0.02 Fe0.21 H1.98 K0.91 Mg0.93 Mn1.53 O11.98 Si2.56 Ti0.03 -","- Al1.74 Ba0.09 F0.02 Fe0.21 H1.98 K0.91 Mg0.93 Mn1.53 O11.98 Si2.56 Ti0.03 -","- Al3.48 Ba0.18 F0.04 Fe0.42 H3.96 K1.82 Mg1.86 Mn3.06 O23.96 Si5.12 Ti0.06 -","2","0.25","","Ishida, K.; Hawthorne, F. C.; Hirowatari, F.","Shirozulite, KMn3(Si3Al)O10(OH)2, a new manganese-dominant trioctahedral mica: Description and crystal structure Note: Displacement factors for O1, O2 and O4 have been altered.","American Mineralogist","2004","89","","232","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9003316","10.618","","25.918","","8.6945","","90","","127.633","","90","","1894.87","","","","","","","","","","","","Benitoite mine, New Idria District, San Benito Co., California, USA","8","P 1 21/m 1","-P 2yb","11","","","Jonesite","- Al2 Ba4 H22 K1.6 Na0.4 O41.02 Si10 Ti4 -","- Al2 Ba4 H10.2 K1.6 Na0.4 O41.02 Si10 Ti4 -","- Al4 Ba8 H20.4 K3.2 Na0.8 O82.04 Si20 Ti8 -","2","0.5","","Krivovichev, S. V.; Armbruster, T.","The crystal structure of jonesite, Ba2(K,Na)[Ti2(Si5Al)O18(H2O)](H2O)n: A first example of titanosilicate with porous double layers","American Mineralogist","2004","89","","314","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003317","28.355","","11.99","","13.998","","90","","104.248","","90","","4612.6","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Spriggite","- H7.79 O25 Pb3 U6 -","- H8 O25 Pb3 U6 -","- H64 O200 Pb24 U48 -","8","1","","Brugger, J.; Krivovichev, S. V.; Berlepsch, P.; Meisser, N.; Ansermet, S.; Armbruster, T.","Spriggite, Pb3[(UO2)6O8(OH)2](H2O)3, a new mineral with beta-U3O8 - type sheets: Description and crystal structure","American Mineralogist","2004","89","","339","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003318","8.88696","","8.88696","","8.88696","","90","","90","","90","","701.875","","","","301.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 28 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003319","8.88689","","8.88689","","8.88689","","90","","90","","90","","701.858","","","","316.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 43 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003320","8.8885","","8.8885","","8.8885","","90","","90","","90","","702.24","","","","331.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 58 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003321","8.8954","","8.8954","","8.8954","","90","","90","","90","","703.876","","","","377.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 104 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003322","8.90171","","8.90171","","8.90171","","90","","90","","90","","705.375","","","","437.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 164 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003323","8.91423","","8.91423","","8.91423","","90","","90","","90","","708.356","","","","543.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 270 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003324","8.92782","","8.92782","","8.92782","","90","","90","","90","","711.601","","","","649.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 376 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003325","8.94177","","8.94177","","8.94177","","90","","90","","90","","714.941","","","","755.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 482 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003326","8.95963","","8.95963","","8.95963","","90","","90","","90","","719.234","","","","861.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 588 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003327","8.97427","","8.97427","","8.97427","","90","","90","","90","","722.765","","","","967.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 694 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003328","8.99003","","8.99003","","8.99003","","90","","90","","90","","726.58","","","","1073.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 800 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003329","9.01287","","9.01287","","9.01287","","90","","90","","90","","732.132","","","","1179.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 906 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003330","9.02374","","9.02374","","9.02374","","90","","90","","90","","734.784","","","","1240.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 967 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003331","9.02748","","9.02748","","9.02748","","90","","90","","90","","735.698","","","","1255.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","Sodalite","- Al3 Cl Na4 O12 Si3 -","- Al3 Cl Na4 O12 Si3 -","- Al6 Cl2 Na8 O24 Si6 -","2","0.0833333","","Hassan, I.; Antao, S. M.; Parise, J. B.","Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 982 C","American Mineralogist","2004","89","","359","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003332","7.3484","","9.771","","7.1521","","91.684","","98.523","","86.39","","506.746","","","","","","","","","","","","","4","P -1","-P 1","2","","","Metahohmannite","- Fe4 H16 O26 S4 -","- Fe4 O26 S4 -","- Fe4 O26 S4 -","1","0.5","","Scordari, F.; Ventruti, G.; Gualtieri, A. F.","The structure of metahohmannite, Fe2[O(SO4)2].4H2O, by in situ synchrotron powder diffraction","American Mineralogist","2004","89","","365","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003333","6.5971","","6.6504","","18.0582","","83.791","","88.653","","88.498","","787.185","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Dy6 O21 Si6 -","- Dy6 O21 Si6 -","- Dy12 O42 Si12 -","2","1","","Fleet, M. E.; Liu, X.","A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L): Evidence for nonquenchable 10 GPa polymorph with silicon in fivefold trigonal bipyramidal coordination?","American Mineralogist","2004","89","","396","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003334","6.5499","","6.5876","","17.8916","","83.828","","88.368","","88.152","","766.872","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- O21 Si6 Tm5.902 -","- O21 Si6 Tm5.902 -","- O42 Si12 Tm11.804 -","2","1","","Fleet, M. E.; Liu, X.","A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L): Evidence for nonquenchable 10 GPa polymorph with silicon in fivefold trigonal bipyramidal coordination?","American Mineralogist","2004","89","","396","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003335","6.524","","6.5553","","17.7909","","83.977","","88.074","","87.846","","755.788","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Lu5.745 O21 Si6 -","- Lu5.745 O21 Si6 -","- Lu11.49 O42 Si12 -","2","1","","Fleet, M. E.; Liu, X.","A new rare earth disilicate (REE2Si2O7: REE = Dy, Tm, Lu; type-L): Evidence for nonquenchable 10 GPa polymorph with silicon in fivefold trigonal bipyramidal coordination?","American Mineralogist","2004","89","","396","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003336","5.4268","","14.7631","","5.5969","","90","","90","","90","","448.403","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bx000_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003337","5.4217","","14.7432","","5.596","","90","","90","","90","","447.306","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.114 Ca2 Fe1.886 O5 -","- Al0.114 Ca2 Fe1.886 O5 -","- Al0.456 Ca8 Fe7.544 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht005_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003338","5.414","","14.7163","","5.5947","","90","","90","","90","","445.752","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.204 Ca2 Fe1.796 O5 -","- Al0.204 Ca2 Fe1.796 O5 -","- Al0.816 Ca8 Fe7.184 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht015_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003339","5.4071","","14.6949","","5.5941","","90","","90","","90","","444.489","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.276 Ca2 Fe1.724 O5 -","- Al0.276 Ca2 Fe1.724 O5 -","- Al1.104 Ca8 Fe6.896 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht025_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003340","5.4027","","14.6779","","5.5923","","90","","90","","90","","443.471","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.365 Ca2 Fe1.635 O5 -","- Al0.365 Ca2 Fe1.635 O5 -","- Al1.46 Ca8 Fe6.54 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht030_3","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003341","5.3986","","14.6631","","5.591","","90","","90","","90","","442.585","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.408 Ca2 Fe1.592 O5 -","- Al0.408 Ca2 Fe1.592 O5 -","- Al1.632 Ca8 Fe6.368 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht035_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003342","5.3936","","14.6476","","5.5899","","90","","90","","90","","441.621","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.441 Ca2 Fe1.559 O5 -","- Al0.441 Ca2 Fe1.559 O5 -","- Al1.764 Ca8 Fe6.236 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht040_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003343","5.3876","","14.6302","","5.5877","","90","","90","","90","","440.432","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Brownmillerite","- Al0.46 Ca2 Fe1.54 O5 -","- Al0.46 Ca2 Fe1.54 O5 -","- Al1.84 Ca8 Fe6.16 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bf80i_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003344","5.3808","","14.6131","","5.5911","","90","","90","","90","","439.629","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.552 Ca2 Fe1.448 O5 -","- Al0.552 Ca2 Fe1.448 O5 -","- Al2.208 Ca8 Fe5.792 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht55_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003345","5.3832","","14.6214","","5.5916","","90","","90","","90","","440.114","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.59 Ca2 Fe1.41 O5 -","- Al0.59 Ca2 Fe1.41 O5 -","- Al2.36 Ca8 Fe5.64 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht50_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003346","5.3714","","14.5805","","5.5847","","90","","90","","90","","437.381","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.663 Ca2 Fe1.337 O5 -","- Al0.663 Ca2 Fe1.337 O5 -","- Al2.652 Ca8 Fe5.348 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht070_1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003347","5.3569","","14.5407","","5.5735","","90","","90","","90","","434.137","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.789 Ca2 Fe1.211 O5 -","- Al0.789 Ca2 Fe1.211 O5 -","- Al3.156 Ca8 Fe4.844 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht120_6","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003348","5.351","","14.5256","","5.5685","","90","","90","","90","","432.82","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.866 Ca2 Fe1.134 O5 -","- Al0.866 Ca2 Fe1.134 O5 -","- Al3.464 Ca8 Fe4.536 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht095_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003349","5.3469","","14.5149","","5.564","","90","","90","","90","","431.82","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.909 Ca2 Fe1.091 O5 -","- Al0.909 Ca2 Fe1.091 O5 -","- Al3.636 Ca8 Fe4.364 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht100_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003350","5.3369","","14.4945","","5.5548","","90","","90","","90","","429.695","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al0.986 Ca2 Fe1.014 O5 -","- Al0.986 Ca2 Fe1.014 O5 -","- Al3.944 Ca8 Fe4.056 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht110n1","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003351","5.3269","","14.4687","","5.5433","","90","","90","","90","","427.241","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al1.078 Ca2 Fe0.922 O5 -","- Al1.078 Ca2 Fe0.922 O5 -","- Al4.312 Ca8 Fe3.688 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht120n2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003352","5.3093","","14.4534","","5.523","","90","","90","","90","","423.821","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al1.259 Ca2 Fe0.741 O5 -","- Al1.259 Ca2 Fe0.741 O5 -","- Al5.036 Ca8 Fe2.964 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht130_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003353","5.2991","","14.4434","","5.5099","","90","","90","","90","","421.711","","","","","","","","","","","","Synthetic","4","I 2 m b","I -2b 2","46","","","Brownmillerite","- Al1.346 Ca2 Fe0.654 O5 -","- Al1.346 Ca2 Fe0.654 O5 -","- Al5.384 Ca8 Fe2.616 O20 -","4","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Amthauer, G.","Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht140_2","American Mineralogist","2004","89","","405","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003354","18.096","","20.473","","7.515","","90","","90","","90","","2784.15","","","","","","","","","","","","","7","C m c 21","C 2c -2","36","","","Mordenite","- Al1.956 Ca0.466 H34 K0.24 Na0.69 O31.18 Si10.044 -","- Al1.956 Ca0.466 H14.36 K0.24 Na0.69 O31.18 Si10.044 -","- Al7.824 Ca1.864 H57.44 K0.96 Na2.76 O124.72 Si40.176 -","4","0.5","","Simoncic, P.; Armbruster, T.","Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: natural","American Mineralogist","2004","89","","421","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:14",""
"9003355","18.131","","20.507","","7.5221","","90","","90","","90","","2796.81","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","","Mordenite","- Al1.5 H30 Na1.37 O28.86 Si10.5 -","- Al1.5 H9.72 Na1.37 O28.86 Si10.5 -","- Al6 H38.88 Na5.48 O115.44 Si42 -","4","0.5","","Simoncic, P.; Armbruster, T.","Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: synthetic","American Mineralogist","2004","89","","421","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003356","15.7537","","15.7537","","7.0707","","90","","90","","120","","1519.7","","","","","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.622 B3.648 H3 Na0.91 O31 Si5.352 -","- Al8.622 B3.648 H3 Na0.91 O31 Si5.352 -","- Al25.866 B10.944 H9 Na2.73 O93 Si16.056 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T1","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003357","15.7713","","15.7713","","7.076","","90","","90","","120","","1524.24","","","","","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.718 B3.57 H3 Na0.92 O31 Si5.43 -","- Al8.718 B3.57 H3 Na0.92 O31 Si5.43 -","- Al26.154 B10.71 H9 Na2.76 O93 Si16.29 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T2","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003358","15.7959","","15.7959","","7.0815","","90","","90","","120","","1530.19","","","","","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.904 B3.51 H3 Na0.94 O31 Si5.49 -","- Al8.904 B3.51 H3 Na0.94 O31 Si5.49 -","- Al26.712 B10.53 H9 Na2.82 O93 Si16.47 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T3","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003359","15.8472","","15.8472","","7.0988","","90","","90","","120","","1543.91","","","","","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","Olenite","- Al9 B3.378 H3 Na0.99 O31 Si5.622 -","- Al9.282 B3.378 H3 Na0.99 O31 Si5.622 -","- Al27.846 B10.134 H9 Na2.97 O93 Si16.866 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003360","15.9013","","15.9013","","7.1213","","90","","90","","120","","1559.39","","","","","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","Olenite","- Al9 B3.354 H6 Na0.9 O31 Si5.646 -","- Al9.858 B3.354 H6 Na0.9 O31 Si5.646 -","- Al29.574 B10.062 H18 Na2.7 O93 Si16.938 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T5","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9003361","8.64","","8.64","","8.873","","90","","90","","90","","662.366","","","","293.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 20 C, data from Hassan and Grundy (1991)","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003362","8.62597","","8.62597","","8.8564","","90","","90","","90","","658.981","","","","306.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 33 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003363","8.62591","","8.62591","","8.8562","","90","","90","","90","","658.957","","","","338.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 65 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003364","8.63144","","8.63144","","8.8598","","90","","90","","90","","660.071","","","","386.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 113 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003365","8.63812","","8.63812","","8.8644","","90","","90","","90","","661.436","","","","483.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 210 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003366","8.64804","","8.64804","","8.8715","","90","","90","","90","","663.487","","","","579.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 306 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003367","8.65669","","8.65669","","8.8778","","90","","90","","90","","665.287","","","","692.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 419 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003368","8.6671","","8.6671","","8.8857","","90","","90","","90","","667.482","","","","789.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 516 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003369","8.67339","","8.67339","","8.8904","","90","","90","","90","","668.804","","","","869.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 596 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003370","8.67908","","8.67908","","8.895","","90","","90","","90","","670.029","","","","917.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 644 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003371","8.68613","","8.68613","","8.9006","","90","","90","","90","","671.54","","","","982.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 709 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003372","8.69349","","8.69349","","8.9064","","90","","90","","90","","673.117","","","","1046.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 773 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003373","8.69872","","8.69872","","8.9107","","90","","90","","90","","674.252","","","","1094.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 821 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003374","8.70359","","8.70359","","8.9147","","90","","90","","90","","675.311","","","","1142.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 869 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003375","8.70633","","8.70633","","8.9169","","90","","90","","90","","675.903","","","","1175.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 902 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003376","8.71168","","8.71168","","8.9214","","90","","90","","90","","677.075","","","","1207.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 934 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003377","8.71853","","8.71853","","8.9269","","90","","90","","90","","678.558","","","","1255.15","","","","","","","","","6","I -4","I -4","82","","","Tugtupite","- Al Be Cl Na4 O12 Si4 -","- Al Be Cl Na4 O12 Si4 -","- Al2 Be2 Cl2 Na8 O24 Si8 -","2","0.25","","Antao, S. M.; Hassan, I.; Parise, J. B.","Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 982 C","American Mineralogist","2004","89","","492","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003378","7.4361","","8.4808","","14.348","","90","","90","","90","","904.843","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As H3 O5 Sr -","- As H3 O5 Sr -","- As8 H24 O40 Sr8 -","8","1","","Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S","Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments","American Mineralogist","2004","89","","601","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9003379","7.443","","8.477","","14.38","","90","","90","","90","","907.296","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- As Ba0.11 H3 O5 Sr0.89 -","- As Ba0.11 H3 O5 Sr0.89 -","- As8 Ba0.88 H24 O40 Sr7.12 -","8","1","","Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S","Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments","American Mineralogist","2004","89","","601","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9003380","7.7519","","8.759","","14.668","","90","","90","","90","","995.941","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As Ba H3 O5 -","- As Ba H3 O5 -","- As8 Ba8 H24 O40 -","8","1","","Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S","Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments","American Mineralogist","2004","89","","601","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9003381","8.724","","8.724","","8.464","","90","","90","","120","","557.876","","","","","","","","","","","","Mogok","10","P 63/m","-P 6c","176","","","Painite","- Al8.82 B Ca0.77 Cr0.03 Hf0.01 Na0.19 O18 Ti0.18 V0.01 Zr0.94 -","- Al8.82 B Ca0.77 Cr0.03 Hf0.01 Na0.19 O18 Ti0.18 V0.01 Zr0.94 -","- Al17.64 B2 Ca1.54 Cr0.06 Hf0.02 Na0.38 O36 Ti0.36 V0.02 Zr1.88 -","2","0.166667","","Armbruster, T.; Dobelin, N.; Peretti, A.; Gunther, D.; Reusser, E.; Grobety, B.","The crystal structure of painite CaZrB[Al9O18] revisited","American Mineralogist","2004","89","","610","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003382","7.394","","6","","3.464","","90","","117.9","","90","","135.814","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model with O3-O3-O3 angle = 240 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003383","7.565","","6.51","","3.759","","90","","115.8","","90","","166.67","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model with O3-O3-O3 angle = 220 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003384","7.608","","6.823","","3.939","","90","","113.4","","90","","187.654","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model with O3-O3-O3 angle = 200 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003385","7.526","","6.928","","4","","90","","110.8","","90","","194.968","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model with O3-O3-O3 angle = 180 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003386","7.326","","6.823","","3.939","","90","","107.7","","90","","187.572","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model with O3-O3-O3 angle = 160 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003387","7.023","","6.51","","3.759","","90","","104.1","","90","","166.683","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model with O3-O3-O3 angle = 140 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003388","6.6332","","6","","3.464","","90","","100","","90","","135.77","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model with O3-O3-O3 angle = 120 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003389","9.756","","9.067","","5.235","","90","","108.7","","90","","438.63","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ca Mg O6 Si2 -","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model diopside after Cameron et al. (1973) with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.318","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003390","9.876","","9.17","","5.294","","90","","109","","90","","453.32","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ca Mg O6 Si2 -","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model diopside at 1000C after Cameron et al. (1973) with O3-O3-O3 angle = 168.5 and model oxygen radius = 1.330","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003391","9.76","","9.071","","5.237","","90","","108.7","","90","","439.171","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ca Mg O6 Si2 -","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model diopside after Levien and Prewitt (1981) with O3-O3-O3 angle = 166.4 and model oxygen radius = 1.319","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003392","9.607","","8.939","","5.161","","90","","108.3","","90","","420.796","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ca Mg O6 Si2 -","- Ca Mg O6 Si2 -","- Ca4 Mg4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model diopside at 5.3 GPa after Levien and Prewitt (1981) with O3-O3-O3 angle = 163.6 and model oxygen radius = 1.304","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003393","9.552","","8.844","","5.106","","90","","103.8","","90","","418.893","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Fe O3 Si -","- Fe O3 Si -","- Fe8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model ferrosilite at 1.87 GPa after Hugh-Jones et al. (1995) with O3-O3-O3 angle = 138.3 and model oxygen radius = 1.366","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003394","9.653","","8.944","","5.164","","90","","109.6","","90","","420.008","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Cr Na O6 Si2 -","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model kosmochlor after Cameron et al. (1973) with O3-O3-O3 angle = 172.0 and model oxygen radius = 1.294","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003395","9.697","","8.98","","5.184","","90","","109.7","","90","","424.997","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Cr Na O6 Si2 -","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model kosmochlor at 600C after Cameron et al. (1973) with O3-O3-O3 angle = 172.9 and model oxygen radius = 1.299","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003396","9.65","","8.937","","5.16","","90","","109.7","","90","","418.963","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Cr Na O6 Si2 -","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model kosmochlor after Origlieri et al. (2003) with O3-O3-O3 angle = 172.8 and model oxygen radius = 1.292","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003397","9.401","","8.738","","5.045","","90","","108.7","","90","","392.549","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Cr Na O6 Si2 -","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model kosmochlor at 9.28 GPa after Origlieri et al. (2003) with O3-O3-O3 angle = 166.1 and model oxygen radius = 1.271","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003398","9.57","","8.717","","5.033","","90","","112.1","","90","","389.014","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model spodumene after Cameron et al. (1973) with O3-O3-O3 angle = 189.5 and model oxygen radius = 1.263","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003399","9.589","","8.766","","5.061","","90","","111.7","","90","","395.265","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model spodumene at 760C after Cameron et al. (1973) with O3-O3-O3 angle = 186.6 and model oxygen radius = 1.267","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003400","9.572","","8.715","","5.032","","90","","112.1","","90","","388.928","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model spodumene after Arlt and Angel (2003) with O3-O3-O3 angle = 189.9 and model oxygen radius = 1.263","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003401","9.503","","8.655","","4.997","","90","","112.1","","90","","380.799","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model spodumene at 3.164 GPa after Arlt and Angel (2003) with O3-O3-O3 angle = 189.5 and model oxygen radius = 1.254","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003402","9.695","","8.919","","5.149","","90","","110.9","","90","","415.938","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Fe Li O6 Si2 -","- Fe Li O6 Si2 -","- Fe4 Li4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model lithium iron px after Redhammer et al. (2001) with O3-O3-O3 angle = 180.8 and model oxygen radius = 1.287","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003403","9.601","","8.839","","5.103","","90","","110.7","","90","","405.101","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ga Li O6 Si2 -","- Ga Li O6 Si2 -","- Ga4 Li4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model lilthium gallium px after Sato et al. (1994) with O3-O3-O3 angle = 179.9 and model oxygen radius = 1.276","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003404","9.648","","8.898","","5.137","","90","","110.5","","90","","413.073","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Li O6 Si2 V -","- Li O6 Si2 V -","- Li4 O24 Si8 V4 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model lithium vanadium px after Satto et al. (1997) with O3-O3-O3 angle = 178.1 and model oxygen radius = 1.284","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003405","9.838","","9.092","","5.249","","90","","110.1","","90","","440.912","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Li O6 Sc Si2 -","- Li O6 Sc Si2 -","- Li4 O24 Sc4 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model lithium scandium px after Hawthorne and Grundy (1977) with O3-O3-O3 angle = 175.6 and model oxygen radius = 1.313","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003406","9.527","","8.81","","5.087","","90","","110","","90","","401.217","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Al Na O6 Si2 -","- Al Na O6 Si2 -","- Al4 Na4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model jadeite after Clark et al. (1969) with O3-O3-O3 angle = 174.7 and model oxygen radius = 1.273","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003407","9.698","","8.973","","5.181","","90","","109.9","","90","","423.93","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Mn Na O6 Si2 -","- Mn Na O6 Si2 -","- Mn4 Na4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model sodium manganese px after Ohashi et al. (1987) with O3-O3-O3 angle = 174.1 and model oxygen radius = 1.297","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003408","9.737","","9.009","","5.201","","90","","109.9","","90","","428.992","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Fe Na O6 Si2 -","- Fe Na O6 Si2 -","- Fe4 Na4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model acmite after Cameron et al. (1973) with O3-O3-O3 angle = 174.0 and model oxygen radius = 1.302","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003409","9.791","","9.06","","5.231","","90","","109.9","","90","","436.316","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Na O6 Si2 Ti -","- Na O6 Si2 Ti -","- Na4 O24 Si8 Ti4 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model sodium titanium px after Ohashi et al. (1982) with O3-O3-O3 angle = 173.9 and model oxygen radius = 1.310","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003410","9.929","","9.189","","5.305","","90","","109.8","","90","","455.401","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Na O6 Sc Si2 -","- Na O6 Sc Si2 -","- Na4 O24 Sc4 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model sodium scandium px after Ohashi et al. (1994A) with O3-O3-O3 angle = 173.7 and model oxygen radius = 1.328","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003411","9.712","","8.992","","5.192","","90","","109.7","","90","","426.881","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Na O6 Si2 V -","- Na O6 Si2 V -","- Na4 O24 Si8 V4 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model sodium vanadium px with O3-O3-O3 angle = 173.0 and model oxygen radius = 1.300","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003412","9.64","","8.928","","5.155","","90","","109.7","","90","","417.702","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ga Na O6 Si2 -","- Ga Na O6 Si2 -","- Ga4 Na4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model sodium gallium px after Ohashi et al. (1995) with O3-O3-O3 angle = 172.7 and model oxygen radius = 1.291","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003413","9.967","","9.241","","5.335","","90","","109.4","","90","","463.481","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- In Na O6 Si2 -","- In Na O6 Si2 -","- In4 Na4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model sodium indium px after Ohashi et al. (1990) with O3-O3-O3 angle = 171.0 and model oxygen radius = 1.338","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003414","9.724","","9.043","","5.221","","90","","108.5","","90","","435.379","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ca Ni O6 Si2 -","- Ca Ni O6 Si2 -","- Ca4 Ni4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model calcium nickel px after Ghose et al. (1987) with O3-O3-O3 angle = 165.2 and model oxygen radius = 1.316","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003415","9.785","","9.1","","5.254","","90","","108.5","","90","","443.659","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ca Co O6 Si2 -","- Ca Co O6 Si2 -","- Ca4 Co4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model calcium cobalt px after Ghose et al. (1987) with O3-O3-O3 angle = 165.1 and model oxygen radius = 1.325","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003416","9.828","","9.142","","5.278","","90","","108.4","","90","","449.972","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hedenbergite after Zhang et al. (1997) with O3-O3-O3 angle = 164.4 and model oxygen radius = 1.332","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003417","9.94","","9.248","","5.339","","90","","108.3","","90","","465.967","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- Ca Mn O6 Si2 -","- Ca Mn O6 Si2 -","- Ca4 Mn4 O24 Si8 -","4","0.5","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model johannsenite after Freed and Peacor (1967) with O3-O3-O3 angle = 163.8 and model oxygen radius = 1.348","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003418","9.755","","9.083","","5.244","","90","","107.9","","90","","442.152","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Pyroxene-ideal","- O3 Si Zn -","- O3 Si Zn -","- O24 Si8 Zn8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model zinc px after Morimoto et al. (1975) with O3-O3-O3 angle = 161.3 and model oxygen radius = 1.329","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003419","6.928","","6","","3.464","","90","","109.47","","90","","135.758","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinopx, closest-packed, ABABCACABCBC, with O3A-O3A-O3A angle = 240, O3B-O3B-O3B angle = 120, and model oxygen radius = 1","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003420","7.559","","6.928","","4","","90","","105.3","","90","","202.051","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 120, and model oxygen radius = 1","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003421","9.725","","8.872","","5.122","","90","","108.9","","90","","418.101","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinoenstatite after Pannhorst (1984) with O3A-O3A-O3A angle = 202.8, O3B-O3B-O3B angle = 138.1, and model oxygen radius = 1.306","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003422","9.764","","8.953","","5.169","","90","","108.8","","90","","427.752","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinoenstatite at 700C after Pannhorst (1984) with O3A-O3A-O3A angle = 197.1, O3B-O3B-O3B angle = 141.6, and model oxygen radius = 1.307","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003423","9.402","","8.587","","4.958","","90","","110.2","","90","","375.664","","","","","","","","3342000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Pyroxene-ideal","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinospodumene at P = 3.342 GPa after Arlt and Angel (2000) with O3A-O3A-O3A angle = 203.2, O3B-O3B-O3B angle = 152.5, and model oxygen radius = 1.265","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003424","9.292","","8.459","","4.884","","90","","109.6","","90","","361.644","","","","","","","","8835000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Pyroxene-ideal","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model low clinospodumene at P = 8.835 GPa after Arlt and Angel (2000) with O3A-O3A-O3A angle = 206.4, O3B-O3B-O3B angle = 143.5, and model oxygen radius = 1.254","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003425","14.58","","6.928","","4","","90","","90","","90","","404.041","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 120, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003426","14.074","","6.928","","4","","90","","90","","90","","390.019","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 180, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003427","18.363","","8.867","","5.119","","90","","90","","90","","833.5","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Yang and Ghose (1995) with O3A-O3A-O3A angle = 158.9, O3B-O3B-O3B angle = 139.3, and model oxygen radius = 1.302","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003428","18.535","","9.024","","5.21","","90","","90","","90","","871.424","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 1360 K after Yang and Ghose (1995) with O3A-O3A-O3A angle = 163.0, O3B-O3B-O3B angle = 149.5, and model oxygen radius = 1.317","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003429","18.363","","8.864","","5.118","","90","","90","","90","","833.055","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.7, O3B-O3B-O3B angle = 139.0, and model oxygen radius = 1.302","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003430","18.027","","8.683","","5.013","","90","","90","","90","","784.677","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 8.10 GPa after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.5, O3B-O3B-O3B angle = 136.4, and model oxygen radius = 1.276","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003431","7.037","","6.928","","4","","90","","90","","90","","195.009","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene with O3-O3-O3 angle = 180 and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003432","9.268","","9.102","","5.255","","90","","90","","90","","443.298","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protoenstatite at 1360 K after Yang and Ghose (1995) with O3-O3-O3 angle = 168.4 and model oxygen radius = 1.321 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003433","9.199","","9.026","","5.211","","90","","90","","90","","432.67","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 166.2 and model oxygen radius = 1.312 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003434","9.154","","8.981","","5.185","","90","","90","","90","","426.27","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model protopyroxene after Yang et al. (1999) with O3-O3-O3 angle = 165.9 and model oxygen radius = 1.306 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003435","6.532","","6","","3.464","","90","","90","","90","","135.761","","","","","","","","","","","","","3","P 21 c n","","","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hi-P protopx with O3A-O3A-O3A angle = 120, O3B-O3B-O3B angle = 240, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003436","9.127","","8.877","","5.125","","90","","90","","90","","415.229","","","","","","","","","","","","","3","P 21 c n","","","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hi-P protopx at 2.50 GPa after Yang et al. (1999) with O3A-O3A-O3A angle = 154.0, O3B-O3B-O3B angle = 212.1, and model oxygen radius = 1.315 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003437","9.002","","8.698","","5.022","","90","","90","","90","","393.22","","","","","","","","","","","","","3","P 21 c n","","","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model hi-P protopx at 9.98 GPa after Yang et al. (1999) with O3A-O3A-O3A angle = 147.8, O3B-O3B-O3B angle = 220.8, and model oxygen radius = 1.307 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003438","9.3429","","9.3429","","6.811","","90","","90","","120","","514.879","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Fluorapatite","- Ca4.32 F Mn0.68 O12 P3 -","- Ca4.32 F Mn0.68 O12 P3 -","- Ca8.64 F2 Mn1.36 O24 P6 -","2","0.166667","","Hughes, John M.; Ertl, Andreas; Bernhardt, Heinz-Jürgen; Rossman, George R.; Rakovan, John F.","Mn-rich fluorapatite from Austria: Crystal structure, chemical analysis, and spectroscopic investigations","American Mineralogist","2004","89","","629","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003439","9.5909","","9.5909","","6.5339","","90","","90","","90","","601.023","","","","","","","","100","","","P = 0.0001 GPa in air","","5","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.96 Ba0.94 H8 O13.54 Si3.04 -","- Al1.96 Ba0.94 H7.08 O13.54 Si3.04 -","- Al3.92 Ba1.88 H14.16 O27.08 Si6.08 -","2","0.25","","Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.","Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 0.0001 GPa in air","American Mineralogist","2004","89","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003440","9.5909","","9.5909","","6.5339","","90","","90","","90","","601.023","","","","","","","","100","","","P = 0.0001 GPa in diamond cell","","5","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.96 Ba0.91 H8 O13.32 Si3.04 -","- Al1.96 Ba0.91 H6.64 O13.32 Si3.04 -","- Al3.92 Ba1.82 H13.28 O26.64 Si6.08 -","2","0.25","","Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.","Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 0.0001 GPa in diamond cell","American Mineralogist","2004","89","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003441","9.4669","","9.4669","","6.4765","","90","","90","","90","","580.438","","","","","","","","2285000","","","","","5","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.96 Ba0.88 H8 O13.32 Si3.04 -","- Al1.96 Ba0.88 H6.64 O13.32 Si3.04 -","- Al3.92 Ba1.76 H13.28 O26.64 Si6.08 -","2","0.25","","Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.","Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 2.285 GPa","American Mineralogist","2004","89","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003442","9.3466","","9.3466","","6.42705","","90","","90","","90","","561.46","","","","","","","","4611000","","","","","5","P -4 21 m","P -4 2ab","113","","","Edingtonite","- Al1.96 Ba0.89 H7.68 O13.32 Si3.04 -","- Al1.96 Ba0.89 H6.64 O13.32 Si3.04 -","- Al3.92 Ba1.78 H13.28 O26.64 Si6.08 -","2","0.25","","Gatta, G. D.; Ballaran, T. B.; Comodi, P.; Zanazzi, P. F.","Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 4.611 GPa","American Mineralogist","2004","89","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003443","9.689","","17.938","","5.268","","90","","102.5","","90","","893.882","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H2 Mg6 Na2 O24 Si8 -","- H2 Mg6 Na2 O24 Si8 -","- H4 Mg12 Na4 O48 Si16 -","2","0.5","","Iezzi, G.; Della Ventura, G.; Oberti, R.; Camara, F.; Holtz, F.","Synthesis and crystal-chemistry of Na(NaMg)Mg5Si8O22(OH)2, a P2_1/m amphibole","American Mineralogist","2004","89","","640","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003444","5.337","","9.24","","10.237","","90","","100.02","","90","","497.126","","","","","","","","100","","","","","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al2.56 Ba0.06 F0.36 Fe1.64 H3.44 K1.82 Mg4.36 Na0.04 O23.64 Si5.44 -","2","0.25","","Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.","A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 0.0001 GPa","American Mineralogist","2004","89","","647","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003445","5.318","","9.21","","10.1","","90","","100.12","","90","","486.989","","","","","","","","1200000","","","","","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al2.56 Ba0.06 F0.36 Fe1.64 H3.44 K1.82 Mg4.36 Na0.04 O23.64 Si5.44 -","2","0.25","","Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.","A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 1.2 GPa","American Mineralogist","2004","89","","647","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003446","5.291","","9.16","","9.9","","90","","100.3","","90","","472.077","","","","","","","","3200000","","","","","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al2.56 Ba0.06 F0.36 Fe1.64 H3.44 K1.82 Mg4.36 Na0.04 O23.64 Si5.44 -","2","0.25","","Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.","A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 3.2 GPa","American Mineralogist","2004","89","","647","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003447","5.271","","9.13","","9.78","","90","","100.3","","90","","463.07","","","","","","","","5000000","","","","","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al2.56 Ba0.06 F0.36 Fe1.64 H3.44 K1.82 Mg4.36 Na0.04 O23.64 Si5.44 -","2","0.25","","Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.","A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 5.0 GPa","American Mineralogist","2004","89","","647","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003448","5.256","","9.105","","9.71","","90","","100.4","","90","","457.047","","","","","","","","6000000","","","","","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al1.28 Ba0.03 F0.18 Fe0.82 H1.72 K0.91 Mg2.18 Na0.02 O11.82 Si2.72 -","- Al2.56 Ba0.06 F0.36 Fe1.64 H3.44 K1.82 Mg4.36 Na0.04 O23.64 Si5.44 -","2","0.25","","Comodi, P.; Fumagalli, P.; Montagnoli, M.; Zanazzi, P. F.","A single-crystal study on the pressure behavior of phlogopite and petrological implications P = 6.0 GPa","American Mineralogist","2004","89","","647","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003449","11.949","","9.028","","10.13","","90","","116.15","","90","","980.926","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Getchellite","- As0.975 S3 Sb1.025 -","- As0.975 S3 Sb1.025 -","- As7.8 S24 Sb8.2 -","8","2","","Kyono, A.; Kimata, M.","Structural reinvestigation of getchellite As0.98Sb1.02S3.00","American Mineralogist","2004","89","","696","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003450","4.85","","7.627","","9.659","","90","","90.255","","90","","357.292","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Datolite","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.","The atomic structure of bakerite and its relationship to datolite Sample: #45837, single crystal data","American Mineralogist","2004","89","","767","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003451","4.8014","","7.578","","9.5419","","90","","90.434","","90","","347.172","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Bakerite","- B1.25 Ca H1.25 O5 Si0.75 -","- B1.25 Ca H1.25 O5 Si0.75 -","- B5 Ca4 H5 O20 Si3 -","4","1","","Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.","The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the conventional X-ray data for sample #92735","American Mineralogist","2004","89","","767","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003452","4.8005","","7.5788","","9.5432","","90","","90.437","","90","","347.191","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Bakerite","- B1.25 Ca H1.25 O5 Si0.75 -","- B1.25 Ca H1.25 O5 Si0.75 -","- B5 Ca4 H5 O20 Si3 -","4","1","","Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.","The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the synchrotron data for sample #92735","American Mineralogist","2004","89","","767","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003453","4.7967","","7.5711","","9.5321","","90","","90.427","","90","","346.161","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Bakerite","- B1.25 Ca H1.25 O5 Si0.75 -","- B1.25 Ca H1.25 O5 Si0.75 -","- B5 Ca4 H5 O20 Si3 -","4","1","","Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.","The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the neutron data (RT) for sample #92735","American Mineralogist","2004","89","","767","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003454","4.7892","","7.5644","","9.5362","","90","","90.476","","90","","345.46","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Bakerite","- B1.25 Ca H1.25 O5 Si0.75 -","- B1.25 Ca H1.25 O5 Si0.75 -","- B5 Ca4 H5 O20 Si3 -","4","1","","Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.","The atomic structure of bakerite and its relationship to datolite Sample: Refinement of the neutron data (LT) for sample #92735","American Mineralogist","2004","89","","767","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003455","4.80042","","7.57864","","9.5426","","90","","90.435","","90","","347.156","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Bakerite","- B1.25 Ca H1.25 O5 Si0.75 -","- B1.25 Ca H1.25 O5 Si0.75 -","- B5 Ca4 H5 O20 Si3 -","4","1","","Perchiazzi, N.; Gualtieri, A. F.; Merlino, S.; Kampf, A. R.","The atomic structure of bakerite and its relationship to datolite Sample: Combined refinement","American Mineralogist","2004","89","","767","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9003456","4.778","","4.9298","","6.899","","90","","90","","90","","162.503","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Dobson, D. P.; Jacobsen, S. D.","The flux growth of magnesium silicate perovskite single crystals","American Mineralogist","2004","89","","807","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003457","9.535","","17.876","","5.294","","90","","102.54","","90","","880.824","","","","","","","","","","","","Pedriza massif, Sierra de Guadarrama, Spain","14","C 1 2/m 1","-C 2y","12","","","Clino-ferri-holmquistite","- Al0.1 Ca0.06 F0.47 Fe2.63 H1.51 K0.125 Li1.66 Mg1.35 Mn0.13 Na1.376 O23.51 Si8 Ti0.06 Zn0.31 -","- Al0.1 Ca0.06 F0.47 Fe2.63 H1.51 K0.125 Li1.66 Mg1.35 Mn0.13 Na1.376 O23.51 Si8 Ti0.06 Zn0.31 -","- Al0.2 Ca0.12 F0.94 Fe5.26 H3.02 K0.25 Li3.32 Mg2.7 Mn0.26 Na2.752 O47.02 Si16 Ti0.12 Zn0.62 -","2","0.25","","Oberti, R.; Camara, F.; Caballero, J. M.","Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new Group 5 for monoclinic amphiboles","American Mineralogist","2004","89","","888","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:26",""
"9003458","9.712","","17.851","","5.297","","90","","103.63","","90","","892.473","","","","","","","","","","","","Pedriza massif, Sierra de Guadarrama, Spain","14","C 1 2/m 1","-C 2y","12","","","Ferri-leakeite","- Al0.1 Ca0.11 F0.7 Fe2.06 H1.3 K0.232 Li1.35 Mg1.47 Mn0.12 Na2.411 O23.3 Si8 Ti0.12 Zn0.4 -","- Al0.1 Ca0.11 F0.7 Fe2.06 H1.3 K0.232 Li1.35 Mg1.47 Mn0.12 Na2.411 O23.3 Si8 Ti0.12 Zn0.4 -","- Al0.2 Ca0.22 F1.4 Fe4.12 H2.6 K0.464 Li2.7 Mg2.94 Mn0.24 Na4.822 O46.6 Si16 Ti0.24 Zn0.8 -","2","0.25","","Oberti, R.; Camara, F.; Caballero, J. M.","Ferri-ottoliniite and ferriwhittakerite, two new end-members of the new Group 5 for monoclinic amphiboles","American Mineralogist","2004","89","","888","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9003459","11.282","","3.8296","","11.225","","90","","90","","90","","484.982","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #1","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003460","11.311","","3.8389","","11.223","","90","","90","","90","","487.323","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #2","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003461","11.2845","","3.822","","11.203","","90","","90","","90","","483.178","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003462","11.3197","","3.8332","","11.233","","90","","90","","90","","487.407","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Stibnite","- S3 Sb2 -","- S3 Sb2 -","- S12 Sb8 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #4","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003463","11.3122","","3.8428","","11.221","","90","","90","","90","","487.783","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.064 S3 Sb1.936 -","- Bi0.064 S3 Sb1.936 -","- Bi0.256 S12 Sb7.744 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.935Bi.065S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003464","11.274","","3.8739","","11.16","","90","","90","","90","","487.406","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.364 S3 Sb1.636 -","- Bi0.364 S3 Sb1.636 -","- Bi1.456 S12 Sb6.544 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.637Bi.363S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003465","11.318","","3.883","","11.226","","90","","90","","90","","493.358","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.516 S3 Sb1.484 -","- Bi0.516 S3 Sb1.484 -","- Bi2.064 S12 Sb5.936 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.483Bi.517S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003466","11.309","","3.871","","11.1876","","90","","90","","90","","489.761","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.536 S3 Sb1.464 -","- Bi0.536 S3 Sb1.464 -","- Bi2.144 S12 Sb5.856 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.463Bi.537S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003467","11.318","","3.8872","","11.228","","90","","90","","90","","493.98","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Stibnite","- Bi0.573 S3 Sb1.427 -","- Bi0.573 S3 Sb1.427 -","- Bi2.292 S12 Sb5.708 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb1.426Bi.574S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003468","11.256","","3.8966","","11.205","","90","","90","","90","","491.453","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi1.09 S3 Sb0.91 -","- Bi1.09 S3 Sb0.91 -","- Bi4.36 S12 Sb3.64 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb.910Bi1.090S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003469","11.336","","3.9562","","11.186","","90","","90","","90","","501.664","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi1.612 S3 Sb0.388 -","- Bi1.612 S3 Sb0.388 -","- Bi6.448 S12 Sb1.552 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb0.387Bi1.613S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003470","11.31","","3.9526","","11.119","","90","","90","","90","","497.063","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi1.638 S3 Sb0.362 -","- Bi1.638 S3 Sb0.362 -","- Bi6.552 S12 Sb1.448 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb0.362Bi1.638S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003471","11.318","","3.9547","","11.1631","","90","","90","","90","","499.652","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi1.68 S3 Sb0.32 -","- Bi1.68 S3 Sb0.32 -","- Bi6.72 S12 Sb1.28 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample: Sb0.320Bi1.680S3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003472","11.316","","3.9709","","11.178","","90","","90","","90","","502.28","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #1","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003473","11.345","","3.994","","11.193","","90","","90","","90","","507.176","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #2","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003474","11.354","","3.9911","","11.188","","90","","90","","90","","506.984","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Bismuthinite","- Bi2 S3 -","- Bi2 S3 -","- Bi8 S12 -","4","0.5","","Kyono, A.; Kimata, M.","Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #3","American Mineralogist","2004","89","","932","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003475","9.2734","","2.8638","","4.5219","","90","","90","","90","","120.089","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Ramsdellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Post, J. E.; Heaney, P. J.","Neutron and synchrotron X-ray diffraction study of the structures and dehydration behaviors of ramsdellite and ""groutellite""","American Mineralogist","2004","89","","969","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003476","9.5155","","2.8644","","4.7061","","90","","90","","90","","128.27","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","Groutellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Post, J. E.; Heaney, P. J.","Neutron and synchrotron X-ray diffraction study of the structures and dehydration behaviors of ramsdellite and ""groutellite""","American Mineralogist","2004","89","","969","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003477","17.014","","7.0637","","7.1084","","90","","100.544","","90","","839.875","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- H6.8 O18 Se2 Sr U3 -","- H8 O18 Se2 Sr U3 -","- H16 O36 Se4 Sr2 U6 -","2","0.25","","Almond, P. M.; Albrecht-Schmitt T E","Hydrothermal synthesis and crystal chemistry of the new strontium uranyl selenites, Sr[(UO2)3(SeO3)2O2].4H2O and Sr[(UO2)(SeO3)2].2H2O","American Mineralogist","2004","89","","976","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:30",""
"9003478","5.6722","","6.7627","","11.2622","","104.698","","93.708","","109.489","","388.615","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- O8 Se2 Sr U -","- O8 Se2 Sr U -","- O16 Se4 Sr2 U2 -","2","1","","Almond, P. M.; Albrecht-Schmitt T E","Hydrothermal synthesis and crystal chemistry of the new strontium uranyl selenites, Sr[(UO2)3(SeO3)2O2].4H2O and Sr[(UO2)(SeO3)2].2H2O","American Mineralogist","2004","89","","976","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003479","8.0834","","8.0834","","8.0834","","90","","90","","90","","528.18","","","","273","","","","0","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 273 K and P = 0 GPa, inversion parameter x = .320","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003480","8.0727","","8.0727","","8.0727","","90","","90","","90","","526.086","","","","549","","","","400000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 549 K and P = 0.4 GPa, inversion parameter x = .262","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003481","8.0874","","8.0874","","8.0874","","90","","90","","90","","528.965","","","","757","","","","400000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 757 K and P = 0.4 GPa, inversion parameter x = .292","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003482","8.1104","","8.1104","","8.1104","","90","","90","","90","","533.491","","","","1015","","","","1500000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1015 K and P = 1.5 GPa, inversion parameter x = .386","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003483","8.1274","","8.1274","","8.1274","","90","","90","","90","","536.852","","","","1202","","","","2000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1202 K and P = 2.0 GPa, inversion parameter x = .453","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003484","8.135","","8.135","","8.135","","90","","90","","90","","538.36","","","","1363","","","","2800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1363 K and P = 2.8 GPa, inversion parameter x = .571","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003485","8.1452","","8.1452","","8.1452","","90","","90","","90","","540.387","","","","1507","","","","3200000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1507 K and P = 3.2 GPa, inversion parameter x = .633","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003486","8.1171","","8.1171","","8.1171","","90","","90","","90","","534.814","","","","1058","","","","1900000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1058 K and P = 1.9 GPa, inversion parameter x = .524","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003487","8.105","","8.105","","8.105","","90","","90","","90","","532.426","","","","887","","","","1700000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 887 K and P = 1.7 GPa, inversion parameter x = .509","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003488","8.08","","8.08","","8.08","","90","","90","","90","","527.514","","","","381","","","","500000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.","Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 381 K and P = 0.5 GPa, inversion parameter x = .365","American Mineralogist","2004","89","","981","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003489","20.291","","23.84","","12.807","","90","","90","","90","","6195.23","","","","298.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","Boggsite","- Al2.42 H8.448 O30.36 Si9.58 -","- Al2.42 H12.72 O30.36 Si9.58 -","- Al19.36 H101.76 O242.88 Si76.64 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Wat represents an unknown distribution across the Wat sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001,Wat8.06] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-RT, T = 25 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003490","20.299","","23.746","","12.814","","90","","90","","90","","6176.6","","","","423.15","","","","","","","","","5","I m m a","-I 2b 2","74","","","Boggsite","- Al2.1 Ca0.67 H4.78 O25.31 Si9.9 -","- Al2.1 Ca0.67 H2.62 O25.31 Si9.9 -","- Al16.8 Ca5.36 H20.96 O202.48 Si79.2 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-150, T = 150 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003491","20.053","","23.838","","12.85","","90","","90","","90","","6142.6","","","","623.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","Boggsite","- Al2.12 Ca0.971 O24 Si9.88 -","- Al2.12 Ca0.971 O24 Si9.88 -","- Al16.96 Ca7.768 O192 Si79.04 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-350, T = 350 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003492","20.041","","23.814","","12.869","","90","","90","","90","","6141.81","","","","773.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","Boggsite","- Al0.357 Ca0.16 O4 Si1.643 -","- Al0.356667 Ca0.160167 O4 Si1.64333 -","- Al17.12 Ca7.688 O192 Si78.88 -","48","3","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-500, T = 500 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003493","20.087","","23.8","","12.805","","90","","90","","90","","6121.69","","","","423.15","","","","","","","","","5","I m m a","-I 2b 2","74","","","Boggsite","- Al2.14 Ca0.675 H4.78 O25.44 Si9.86 -","- Al2.14 Ca0.675 H2.88 O25.44 Si9.86 -","- Al17.12 Ca5.4 H23.04 O203.52 Si78.88 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-150-R, T = 150 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003494","20.295","","23.843","","12.802","","90","","90","","90","","6194.81","","","","298.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","Boggsite","- Al2.46 H8.448 O29.182 Si9.54 -","- Al2.46 H10.364 O29.182 Si9.54 -","- Al19.68 H82.912 O233.456 Si76.32 -","8","0.5","","Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.","Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-RT-R, T = 25 C","American Mineralogist","2004","89","","1033","1042","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003495","8.882","","20.1","","4.614","","90","","90","","90","","823.729","","","","","","","","","","","","","2","P m n b","-P 2bc 2a","62","","","Empressite","- Ag Te -","- Ag Te -","- Ag16 Te16 -","16","2","","Bindi, L.; Spry, P. G.; Cipriani, C.","Empressite, AgTe, from the Empress-Josephine Mine, Colorado, USA: Composition, physical properties, and determination of the crystal structure","American Mineralogist","2004","89","","1043","1047","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003496","8.856","","5.6291","","10.148","","90","","115.516","","90","","456.549","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2.54 Ca2 H Mn0.46 O13 Si3 -","- Al2.54 Ca2 H Mn0.46 O13 Si3 -","- Al5.08 Ca4 H2 Mn0.92 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 0.5, p = 0.5, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003497","8.853","","5.6596","","10.1501","","90","","115.511","","90","","458.981","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2.25 Ca2 H Mn0.75 O13 Si3 -","- Al2.25 Ca2 H Mn0.75 O13 Si3 -","- Al4.5 Ca4 H2 Mn1.5 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 0.75, p = 0.75, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003498","8.8548","","5.6541","","10.1546","","90","","115.514","","90","","458.82","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2.26 Ca2 H Mn0.74 O13 Si3 -","- Al2.26 Ca2 H Mn0.74 O13 Si3 -","- Al4.52 Ca4 H2 Mn1.48 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 0.75, p = 0.75, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003499","8.8531","","5.6741","","10.1613","","90","","115.519","","90","","460.639","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2 Ca2 H Mn O13 Si3 -","- Al2 Ca2 H Mn O13 Si3 -","- Al4 Ca4 H2 Mn2 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.0, p = 1.00, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003500","8.849","","5.667","","10.153","","90","","115.499","","90","","459.551","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al2 Ca2 H Mn O13 Si3 -","- Al2 Ca2 H Mn O13 Si3 -","- Al4 Ca4 H2 Mn2 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.0, p = 1.00, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003501","8.8596","","5.6834","","10.1679","","90","","115.503","","90","","462.095","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.96 Ca2 H Mn1.04 O13 Si3 -","- Al1.96 Ca2 H Mn1.04 O13 Si3 -","- Al3.92 Ca4 H2 Mn2.08 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.1, p = 1.04, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003502","8.86","","5.6818","","10.167","","90","","115.511","","90","","461.914","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.97 Ca2 H Mn1.03 O13 Si3 -","- Al1.97 Ca2 H Mn1.03 O13 Si3 -","- Al3.94 Ca4 H2 Mn2.06 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.1, p = 1.03, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003503","8.8589","","5.7017","","10.1802","","90","","115.54","","90","","463.964","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.74 Ca2 H Mn1.26 O13 Si3 -","- Al1.74 Ca2 H Mn1.26 O13 Si3 -","- Al3.48 Ca4 H2 Mn2.52 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.5, p = 1.26, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003504","8.8625","","5.7006","","10.1822","","90","","115.525","","90","","464.212","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.74 Ca2 H Mn1.26 O13 Si3 -","- Al1.74 Ca2 H Mn1.26 O13 Si3 -","- Al3.48 Ca4 H2 Mn2.52 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.5, p = 1.25, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003505","8.8591","","5.7039","","10.1827","","90","","115.548","","90","","464.236","","","","773.15","","","","200000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.75 Ca2 H Mn1.25 O13 Si3 -","- Al1.75 Ca2 H Mn1.25 O13 Si3 -","- Al3.5 Ca4 H2 Mn2.5 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.75, p = 1.26, Synthesis at P=200 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003506","8.8581","","5.6949","","10.1771","","90","","115.518","","90","","463.312","","","","773.15","","","","350000","","","","","6","P 1 21/m 1","-P 2yb","11","","","Piemontite","- Al1.75 Ca2 H Mn1.25 O13 Si3 -","- Al1.75 Ca2 H Mn1.25 O13 Si3 -","- Al3.5 Ca4 H2 Mn2.5 O26 Si6 -","2","0.5","","Nagashima, M.; Akasaka, M.","An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 1.75, p = 1.25, Synthesis at P=350 MPa, T=500 C","American Mineralogist","2004","89","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003507","5.358","","9.281","","14.574","","90","","97.08","","90","","719.204","","","","","","","","","","","","","5","C 1","C 1","1","","","Glagolevite","- H2 Mg2 Na0.193 O6 Si1.333 -","- Mg2 Na0.193333 O6 Si1.33333 -","- Mg12 Na1.16 O36 Si8 -","6","","","Krivovichev, S. V.; Armbruster, T.; Organova, N. I.; Burns, P. C.; Seredkin, M. V.; Chukanov, N. V.","Incorporation of sodium into the chlorite structure: the crystal structure of glagolevite, Na(Mg,Al)6[Si3AlO10](OH,O)8","American Mineralogist","2004","89","","1138","1141","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003508","4.8072","","4.8072","","16.0048","","90","","90","","120","","320.306","","","","296","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C2 Ca Mg O6 -","- C2 Ca Mg O6 -","- C6 Ca3 Mg3 O18 -","3","0.166667","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 296 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003509","4.7924","","4.7924","","15.8119","","90","","90","","120","","314.5","","","","630","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 630 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003510","4.7918","","4.7918","","15.8283","","90","","90","","120","","314.747","","","","675","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 675 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003511","4.7917","","4.7917","","15.8816","","90","","90","","120","","315.794","","","","809","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 809 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003512","4.7925","","4.7925","","15.9312","","90","","90","","120","","316.886","","","","925","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 925 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003513","4.7938","","4.7938","","15.9652","","90","","90","","120","","317.735","","","","999","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 999 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003514","4.7941","","4.7941","","15.9868","","90","","90","","120","","318.205","","","","1039","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1039 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003515","4.7945","","4.7945","","16.0087","","90","","90","","120","","318.694","","","","1074","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1074 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003516","4.7942","","4.7942","","16.0061","","90","","90","","120","","318.602","","","","1070","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1070 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003517","4.7944","","4.7944","","16.0212","","90","","90","","120","","318.929","","","","1106","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1106 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003518","4.7956","","4.7956","","16.0405","","90","","90","","120","","319.473","","","","1142","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1142 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003519","4.7965","","4.7965","","16.0559","","90","","90","","120","","319.9","","","","1171","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1171 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003520","4.7985","","4.7985","","16.0815","","90","","90","","120","","320.677","","","","1205","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1205 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003521","4.8009","","4.8009","","16.1069","","90","","90","","120","","321.505","","","","1234","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1234 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003522","4.8039","","4.8039","","16.1397","","90","","90","","120","","322.563","","","","1265","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1265 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003523","4.8035","","4.8035","","16.1468","","90","","90","","120","","322.651","","","","1292","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1292 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003524","4.8055","","4.8055","","16.1791","","90","","90","","120","","323.565","","","","1320","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1320 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003525","4.8111","","4.8111","","16.2511","","90","","90","","120","","325.763","","","","1346","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1346 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003526","4.8084","","4.8084","","16.2802","","90","","90","","120","","325.98","","","","1362","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1362 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003527","4.809","","4.809","","16.2621","","90","","90","","120","","325.699","","","","1394","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1394 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003528","4.8089","","4.8089","","16.2901","","90","","90","","120","","326.247","","","","1400","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1400 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003529","4.8081","","4.8081","","16.2756","","90","","90","","120","","325.848","","","","1443","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1443 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003530","4.8072","","4.8072","","16.3354","","90","","90","","120","","326.922","","","","1466","","","","3000000","","","","","4","R -3 :H","-R 3","148","","","Dolomite","- C Ca0.5 Mg0.5 O3 -","- C Ca0.5 Mg0.5 O3 -","- C6 Ca3 Mg3 O18 -","6","0.333333","","Antao, S. M.; Mulder, W. H.; Hassan, I.; Crichton, W. A.; Parise, J. B.","Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1466 K","American Mineralogist","2004","89","","1142","1147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003531","8.2743","","8.2743","","8.2743","","90","","90","","90","","566.492","","","","","","","","","","","","","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.393 Cr1.582 Fe0.34 Mg0.59 Mn0.003 Ni0.004 O4 Si0.002 Ti0.004 V0.004 -","- Al0.393 Cr1.582 Fe0.34 Mg0.59 Mn0.003 Ni0.004 O4 Si0.002 Ti0.004 V0.004 -","- Al3.144 Cr12.656 Fe2.72 Mg4.72 Mn0.024 Ni0.032 O32 Si0.016 Ti0.032 V0.032 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Tro6f, Provenance is Tropoja massif, Sequence is cumulate","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003532","8.2991","","8.2991","","8.2991","","90","","90","","90","","571.601","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.406 Cr1.524 Fe0.396 Mg0.643 Mn0.006 Ni0.002 O4 Ti0.006 -","- Al0.406 Cr1.524 Fe0.396 Mg0.643 Mn0.006 Ni0.002 O4 Ti0.006 -","- Al3.248 Cr12.192 Fe3.168 Mg5.144 Mn0.048 Ni0.016 O32 Ti0.048 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Shb4b, Provenance is Shebenik massif, Sequence is cumulate","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003533","8.2915","","8.2915","","8.2915","","90","","90","","90","","570.032","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.552 Cr1.362 Fe0.481 Mg0.586 Mn0.007 Ni0.004 O4 Ti0.006 -","- Al0.552 Cr1.362 Fe0.481 Mg0.586 Mn0.007 Ni0.004 O4 Ti0.006 -","- Al4.416 Cr10.896 Fe3.848 Mg4.688 Mn0.056 Ni0.032 O32 Ti0.048 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Tro4f, Provenance is Tropoja massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003534","8.2864","","8.2864","","8.2864","","90","","90","","90","","568.981","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.575 Cr1.346 Fe0.429 Mg0.631 Mn0.006 Ni0.002 O4 Ti0.006 V0.004 -","- Al0.575 Cr1.346 Fe0.429 Mg0.631 Mn0.006 Ni0.002 O4 Ti0.006 V0.004 -","- Al4.6 Cr10.768 Fe3.432 Mg5.048 Mn0.048 Ni0.016 O32 Ti0.048 V0.032 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Tro4j, Provenance is Tropoja massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003535","8.3133","","8.3133","","8.3133","","90","","90","","90","","574.54","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.364 Cr1.552 Fe0.467 Mg0.597 Mn0.008 O4 Ti0.004 V0.004 -","- Al0.364 Cr1.552 Fe0.467 Mg0.597 Mn0.008 O4 Ti0.004 V0.004 -","- Al2.912 Cr12.416 Fe3.736 Mg4.776 Mn0.064 O32 Ti0.032 V0.032 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: N10a, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003536","8.3091","","8.3091","","8.3091","","90","","90","","90","","573.67","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.393 Cr1.5 Fe0.469 Mg0.608 Mn0.009 Ni0.002 O4 Ti0.006 -","- Al0.393 Cr1.5 Fe0.469 Mg0.608 Mn0.009 Ni0.002 O4 Ti0.006 -","- Al3.144 Cr12 Fe3.752 Mg4.864 Mn0.072 Ni0.016 O32 Ti0.048 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: N7g, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003537","8.3081","","8.3081","","8.3081","","90","","90","","90","","573.463","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.368 Cr1.564 Fe0.424 Mg0.624 Mn0.007 O4 Ti0.002 -","- Al0.368 Cr1.564 Fe0.424 Mg0.624 Mn0.007 O4 Ti0.002 -","- Al2.944 Cr12.512 Fe3.392 Mg4.992 Mn0.056 O32 Ti0.016 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Thkv1a, Provenance is Thekna, Bulqiza massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003538","8.3033","","8.3033","","8.3033","","90","","90","","90","","572.469","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.387 Cr1.552 Fe0.402 Mg0.632 Mn0.006 O4 Ti0.002 V0.004 -","- Al0.387 Cr1.552 Fe0.402 Mg0.632 Mn0.006 O4 Ti0.002 V0.004 -","- Al3.096 Cr12.416 Fe3.216 Mg5.056 Mn0.048 O32 Ti0.016 V0.032 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Thkv1w, Provenance is Thekna, Bulqiza massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003539","8.2793","","8.2793","","8.2793","","90","","90","","90","","567.52","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.422 Cr1.506 Fe0.367 Mg0.643 Mn0.004 Ni0.004 O4 Ti0.004 V0.002 -","- Al0.422 Cr1.506 Fe0.367 Mg0.643 Mn0.004 Ni0.004 O4 Ti0.004 V0.002 -","- Al3.376 Cr12.048 Fe2.936 Mg5.144 Mn0.032 Ni0.032 O32 Ti0.032 V0.016 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Shb2m, Provenance is Shebenik massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003540","8.2902","","8.2902","","8.2902","","90","","90","","90","","569.764","","","","","","","","","","","","","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.444 Cr1.5 Fe0.378 Mg0.637 Mn0.006 Ni0.004 O4 Si0.001 Ti0.002 V0.004 -","- Al0.444 Cr1.5 Fe0.378 Mg0.637 Mn0.006 Ni0.004 O4 Si0.001 Ti0.002 V0.004 -","- Al3.552 Cr12 Fe3.024 Mg5.096 Mn0.048 Ni0.032 O32 Si0.008 Ti0.016 V0.032 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Shb4f, Provenance is Shebenik massif, Sequence is cumulate","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003541","8.3057","","8.3057","","8.3057","","90","","90","","90","","572.966","","","","","","","","","","","","","11","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.378 Cr1.536 Fe0.394 Mg0.667 Mn0.007 Ni0.004 O4 Si0.001 Ti0.002 V0.002 Zn0.002 -","- Al0.378 Cr1.536 Fe0.394 Mg0.667 Mn0.007 Ni0.004 O4 Si0.001 Ti0.002 V0.002 Zn0.002 -","- Al3.024 Cr12.288 Fe3.152 Mg5.336 Mn0.056 Ni0.032 O32 Si0.008 Ti0.016 V0.016 Zn0.016 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Thkv2w, Provenance is Thekna, Bulqiza massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003542","8.3071","","8.3071","","8.3071","","90","","90","","90","","573.256","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.388 Cr1.548 Fe0.4 Mg0.648 Mn0.006 O4 Si0.001 Ti0.002 V0.002 -","- Al0.388 Cr1.548 Fe0.4 Mg0.648 Mn0.006 O4 Si0.001 Ti0.002 V0.002 -","- Al3.104 Cr12.384 Fe3.2 Mg5.184 Mn0.048 O32 Si0.008 Ti0.016 V0.016 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: N2h, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003543","8.3006","","8.3006","","8.3006","","90","","90","","90","","571.911","","","","","","","","","","","","","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.438 Cr1.474 Fe0.384 Mg0.682 Mn0.006 Ni0.004 O4 Si0.002 Ti0.004 V0.002 -","- Al0.438 Cr1.474 Fe0.384 Mg0.682 Mn0.006 Ni0.004 O4 Si0.002 Ti0.004 V0.002 -","- Al3.504 Cr11.792 Fe3.072 Mg5.456 Mn0.048 Ni0.032 O32 Si0.016 Ti0.032 V0.016 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Shkm1i, Provenance is Shkalla, Bulqiza massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003544","8.2982","","8.2982","","8.2982","","90","","90","","90","","571.415","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.451 Cr1.466 Fe0.414 Mg0.646 Mn0.007 Ni0.004 O4 Ti0.004 -","- Al0.451 Cr1.466 Fe0.414 Mg0.646 Mn0.007 Ni0.004 O4 Ti0.004 -","- Al3.608 Cr11.728 Fe3.312 Mg5.168 Mn0.056 Ni0.032 O32 Ti0.032 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Shkm3g, Provenance is Shkalla, Bulqiza massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003545","8.3101","","8.3101","","8.3101","","90","","90","","90","","573.877","","","","","","","","","","","","","10","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.355 Cr1.55 Fe0.369 Mg0.704 Mn0.006 Ni0.004 O4 Si0.001 Ti0.004 V0.002 -","- Al0.355 Cr1.55 Fe0.369 Mg0.704 Mn0.006 Ni0.004 O4 Si0.001 Ti0.004 V0.002 -","- Al2.84 Cr12.4 Fe2.952 Mg5.632 Mn0.048 Ni0.032 O32 Si0.008 Ti0.032 V0.016 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Ba4c, Provenance is Bater, Bulqiza massif, Sequence is cumulate","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003546","8.1992","","8.1992","","8.1992","","90","","90","","90","","551.207","","","","","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.238 Cr0.704 Fe0.304 Mg0.734 Mn0.004 Ni0.006 O4 Ti0.006 -","- Al1.238 Cr0.704 Fe0.304 Mg0.734 Mn0.004 Ni0.006 O4 Ti0.006 -","- Al9.904 Cr5.632 Fe2.432 Mg5.872 Mn0.032 Ni0.048 O32 Ti0.048 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: N4x, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003547","8.3043","","8.3043","","8.3043","","90","","90","","90","","572.676","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al0.337 Cr1.606 Fe0.326 Mg0.694 Mn0.006 Ni0.004 O4 Ti0.002 V0.002 -","- Al0.337 Cr1.606 Fe0.326 Mg0.694 Mn0.006 Ni0.004 O4 Ti0.002 V0.002 -","- Al2.696 Cr12.848 Fe2.608 Mg5.552 Mn0.048 Ni0.032 O32 Ti0.016 V0.016 -","8","0.0416667","","Bosi, F.; Andreozzi, G. B.; Ferrini, V.; Lucchesi, S.","Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites Sample: Ba2y, Provenance is Bater, Bulqiza massif, Sequence is cumulate","American Mineralogist","2004","89","","1367","1373","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9003548","9.4234","","9.4234","","6.8801","","90","","90","","120","","529.104","","","","","","","","","","","synthesized at 2-4 GPa","Synthetic; Sample: xt372","4","P 63/m","-P 6c","176","","","Hydroxylapatite","- Ca5 H1.44 O13.012 P2.928 -","- Ca5 H1.44 O13.012 P2.928 -","- Ca10 H2.88 O26.024 P5.856 -","2","0.166667","","Fleet, M. E.; Liu, X.; King, P. L.","Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study of crystals synthesized at 2-4 GPa","American Mineralogist","2004","89","","1422","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","287648","2023-11-16","14:14:25",""
"9003549","9.4468","","9.4468","","6.8806","","90","","90","","120","","531.773","","","","","","","","","","","synthesized at 2-4 GPa","Synthetic; Sample: xt374","5","P 63/m","-P 6c","176","","","Hydroxylapatite","- C0.01 H1.3 Ca5 O13.072 P3 -","- C0.01 H1.3 Ca5 O13.072 P3 -","- C0.02 H2.6 Ca10 O26.144 P6 -","2","0.166667","","Fleet, M. E.; Liu, X.; King, P. L.","Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study of crystals synthesized at 2-4 GPa","American Mineralogist","2004","89","","1422","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","287649","2023-11-16","14:31:05",""
"9003550","9.4803","","9.4803","","6.8853","","90","","90","","120","","535.917","","","","","","","","","","","synthesized at 2-4 GPa","","4","P 63/m","-P 6c","176","","","Carbonate-hydroxylapatite","- C0.26 Ca5 O13.686 P2.829 -","- C0.26 Ca5 O13.686 P2.829 -","- C0.52 Ca10 O27.372 P5.658 -","2","0.166667","","Fleet M E; Liu X; King P L","Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study of crystals synthesized at 2-4 GPa Sample: xt371","American Mineralogist","2004","89","","1422","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9003551","9.4817","","9.4817","","6.8843","","90","","90","","120","","535.998","","","","","","","","","","","synthesized at 2-4 GPa","","4","P 63/m","-P 6c","176","","","Carbonate-hydroxylapatite","- C0.22 Ca5 O13.514 P2.823 -","- C0.22 Ca5 O13.514 P2.823 -","- C0.44 Ca10 O27.028 P5.646 -","2","0.166667","","Fleet M E; Liu X; King P L","Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study of crystals synthesized at 2-4 GPa Sample: xt373","American Mineralogist","2004","89","","1422","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9003556","9.883","","54.082","","5.277","","90.045","","103.068","","89.96","","2747.47","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","NaNa2Mg5Si8O21(OH)3","- H3 Mg5 Na3 O24 Si8 -","- H3 Mg5 Na3 O24 Si8 -","- H18 Mg30 Na18 O144 Si48 -","6","","","Camara, F.; Oberti, R.; Della Ventura, G.; Welch, M. D.; Maresch, W. V.","The crystal structure of synthetic NaNa2Mg5Si8O21(OH)3, a triclinic C-1 amphibole with a triple-cell and H excess Note: occupancies unreported, so calculated formula has an extra OH","American Mineralogist","2004","89","","1464","1473","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003557","5.124","","4.419","","7.437","","90","","89.96","","90","","168.396","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","Muthmannite","- Ag Au Te2 -","- Ag Au Te2 -","- Ag2 Au2 Te4 -","2","0.5","","Bindi, L.; Cipriani, C.","Ordered distribution of Au and Ag in the crystal structure of muthmannite, AuAgTe2, a rare telluride from Sacarimb, Western Romania","American Mineralogist","2004","89","","1505","1509","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003558","10.7108","","10.7108","","27.0398","","90","","90","","120","","2686.45","","","","","","","","","","","","","13","R 3 m :H","R 3 -2""","160","","","Okanoganite-(Y)","- B3 Ca2.64 Ce4.41 F10 Fe0.77 H4 Na O38 P0.6 Si6.4 Th0.39 Ti0.23 Y7.56 -","- B3 Ca2.64 Ce4.41 F10 Fe0.77 H4 Na O38 P0.6 Si6.4 Th0.39 Ti0.23 Y7.56 -","- B9 Ca7.92 Ce13.23 F30 Fe2.31 H12 Na3 O114 P1.8 Si19.2 Th1.17 Ti0.69 Y22.68 -","3","0.166667","","Boiocchi, M.; Callegari, A.; Ottolini, L.; Maras, A.","The chemistry and crystal structure of okanoganite-(Y) and comparison with vicanite-(Ce) Sample: Golden Horn batholith near Washington Pass, Okanogan County","American Mineralogist","2004","89","","1540","1545","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003559","7.126","","24.913","","17.075","","90","","101.89","","90","","2966.29","","","","","","","","","","","","","12","P 1 21/m 1","-P 2yb","11","","","Yuksporite","- Ba0.65 Ca8.5 Fe0.1 H10 K3.75 Mn0.15 Na5.5 Nb0.9 O65.74 Si18 Sr1.4 Ti3.1 -","- Ba0.65 Ca8.5 Fe0.1 H7.48 K3.75 Mn0.15 Na5.5 Nb0.9 O65.74 Si18 Sr1.4 Ti3.1 -","- Ba1.3 Ca17 Fe0.2 H14.96 K7.5 Mn0.3 Na11 Nb1.8 O131.48 Si36 Sr2.8 Ti6.2 -","2","0.5","","Krivovichev, S. V.; Yakovenchuk, V. N.; Armbruster, T.; Dobelin, N.; Pattison, P.; Weber, H.-P.; Depmeier, W.","Porous titanosilicate nanorods in the structure of yuksporite, (Sr,Ba)2K4(Ca,Na)14(_,Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, resolved using synchrotron radiation Sample: Kola peninsula, Russia","American Mineralogist","2004","89","","1561","1565","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003560","14.2147","","13.764","","7.7574","","90","","116.653","","90","","1356.47","","","","113.15","","","","","","","","Khibiny alkaline complex, Kola peninsula, Russia","8","C 1 2/m 1","-C 2y","12","","","Lemmleinite-Ba","- Ba0.906 H11.6 K1.708 Mn0.493 Na2.196 O32.986 Si8 Ti4 -","- Ba0.906 H11.972 K1.708 Mn0.493 Na2.196 O32.986 Si8 Ti4 -","- Ba1.812 H23.944 K3.416 Mn0.986 Na4.392 O65.972 Si16 Ti8 -","2","0.25","","Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N.","Origin of diffuse superstructure reflections in labuntsovite-group minerals Sample A2 at T = -160 deg C","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","283853","2023-05-18","08:55:40",""
"9003561","14.2446","","13.7884","","7.7798","","90","","116.709","","90","","1364.99","","","","295.15","","","","","","","","Khibiny alkaline complex, Kola peninsula, Russia","8","C 1 2/m 1","-C 2y","12","","","Lemmleinite-Ba","- Ba0.906 H11.6 K1.708 Mn0.493 Na2.196 O32.986 Si8 Ti4 -","- Ba0.906 H11.972 K1.708 Mn0.493 Na2.196 O32.986 Si8 Ti4 -","- Ba1.812 H23.944 K3.416 Mn0.986 Na4.392 O65.972 Si16 Ti8 -","2","0.25","","Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N.","Origin of diffuse superstructure reflections in labuntsovite-group minerals Sample A2 at T = 22 deg C","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","283854","2023-05-18","08:56:49",""
"9003562","14.237","","13.768","","7.767","","90","","116.83","","90","","1358.56","","","","295.15","","","","","","","","Khibiny alkaline complex, Kola peninsula, Russia","8","C 1 2/m 1","-C 2y","12","","","Lemmleinite-Ba","- Ba0.76 Fe0.46 H11.6 K1.78 Na2.22 O36.92 Si8 Ti4 -","- Ba0.76 Fe0.46 H19.84 K1.78 Na2.22 O36.92 Si8 Ti4 -","- Ba1.52 Fe0.92 H39.68 K3.56 Na4.44 O73.84 Si16 Ti8 -","2","0.25","","Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N.","Origin of diffuse superstructure reflections in labuntsovite-group minerals Sample B at T = 22 deg C","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","283856","2023-05-18","09:02:11",""
"9003563","14.2446","","13.7884","","7.75","","90","","116.709","","90","","1359.76","","","","","","","","","","","","Khibiny alkaline complex, Kola peninsula, Russia","7","C 1 m 1","C -2y","8","","","Lemmleinite-Ba","- Ba H10 K2 Na2 O32 Si8 Ti4 -","- Ba H10 K2 Na2 O32 Si8 Ti4 -","- Ba2 H20 K4 Na4 O64 Si16 Ti8 -","2","0.5","","Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N.","Origin of diffuse superstructure reflections in labuntsovite-group minerals Note: Predicted ordered structure","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003564","14.2446","","13.7884","","15.5","","90","","116.709","","90","","2719.53","","","","","","","","","","","","Khibiny alkaline complex, Kola peninsula, Russia","8","I 1 2/m 1","-I 2y","12","","","Lemmleinite-Ba","- Ba2 H24 K4 Mn Na4 O66 Si16 Ti8 -","- Ba2 H24 K4 Mn Na4 O66 Si16 Ti8 -","- Ba4 H48 K8 Mn2 Na8 O132 Si32 Ti16 -","2","0.25","","Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N.","Origin of diffuse superstructure reflections in labuntsovite-group minerals Note: Predicted ordered structure","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9003565","14.2446","","13.7884","","15.5","","90","","116.709","","90","","2719.53","","","","","","","","","","","","Khibiny alkaline complex, Kola peninsula, Russia","8","C 1 2/m 1","-C 2y","12","","","Lemmleinite-Ba","- Ba2 H24 K4 Mn Na4 O66 Si16 Ti8 -","- Ba2 H24 K4 Mn Na4 O66 Si16 Ti8 -","- Ba4 H48 K8 Mn2 Na8 O132 Si32 Ti16 -","2","0.25","","Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N.","Origin of diffuse superstructure reflections in labuntsovite-group minerals Note: Predicted ordered structure","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9003566","7.1849","","9.2152","","8.9765","","91.761","","98.153","","77.15","","573.595","","","","","","","","","","","","","9","P -1","-P 1","2","","","Manganaxinite","- Al1.86 B Ca1.95 Fe0.18 H0.9 Mg0.015 Mn0.995 O16 Si4 -","- Al1.86 B Ca1.95 Fe0.18 H0.9 Mg0.015 Mn0.995 O16 Si4 -","- Al3.72 B2 Ca3.9 Fe0.36 H1.8 Mg0.03 Mn1.99 O32 Si8 -","2","1","","Andreozzi G B; Lucchesi S; Graziani G; Russo U","Site distribution of Fe2+ and Fe3+ in axinite mineral group: New crystal-chemical formula Sample 47","American Mineralogist","2004","89","","1763","1771","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003567","14.519","","14.519","","21.062","","90","","90","","120","","3845.06","","","","","","","","","","","","Kola peninsula, Russia","6","P 3 1 c","P 3 -2c","159","","","Shafranovskite","- H35.72 K5.7 Mn10.86 Na9 O87.72 Si26.72 -","- H35.72 K5.7 Mn10.86 Na9 O87.72 Si26.72 -","- H71.44 K11.4 Mn21.72 Na18 O175.44 Si53.44 -","2","0.333333","","Krivovichev, S. V.; Yakovenchuk, V. N.; Armbruster, T.; Pakhomovsky, Y. A.; Weber, H.-P.; Depmeier, W.","Synchrotron X-ray diffraction study of the structure of shafranovskite, K2Na3(Mn,Fe,Na)4[Si9(O,OH)27].nH2O, a rare manganese silicate from Kola peninsula, Russia","American Mineralogist","2004","89","","1816","1821","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9003669","9.71887","","17.93853","","5.26923","","90","","102.526","","90","","896.783","","","","298","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- D0.63 H1.37 Mg6.13 Na1.71 O24 Si8 -","- D0.63 H1.37 Mg6.13 Na1.71 O24 Si8 -","- D1.26 H2.74 Mg12.26 Na3.42 O48 Si16 -","2","0.5","","Iezzi, G.; Gatta, G. D.; Kockelmann, W.; Della Ventura, G.; Rinaldi, R.; Schafer, W.; Piccinini, M.; Gaillard, F.","Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic amphibole Na(NaMg)Mg5Si8O22(OH)2 Sample: T = 298 K","American Mineralogist","2004","90","","695","700","10.2138/am.2005.1764","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9003670","9.70169","","17.89537","","5.25744","","90","","102.597","","90","","890.8","","","","8","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- D0.63 H1.37 Mg6.13 Na1.71 O24 Si8 -","- D0.63 H1.37 Mg6.13 Na1.71 O24 Si8 -","- D1.26 H2.74 Mg12.26 Na3.42 O48 Si16 -","2","0.5","","Iezzi, G.; Gatta, G. D.; Kockelmann, W.; Della Ventura, G.; Rinaldi, R.; Schafer, W.; Piccinini, M.; Gaillard, F.","Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic amphibole Na(NaMg)Mg5Si8O22(OH)2 Sample: T = 8 K","American Mineralogist","2004","90","","695","700","10.2138/am.2005.1764","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004833","16.827","","9.117","","13.165","","90","","130.17","","90","","1543.3","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Radtkeite","- Cl Hg3 I S2 -","- Cl Hg3 I S2 -","- Cl8 Hg24 I8 S16 -","8","1","","Pervukhina, N. V.; Vasil'ev, V. I.; Naumov, D. Y.; Borisov, S. V.; Magarill, S. A.","The crystal structure of synthetic radtkeite, Hg3S2ClI","The Canadian Mineralogist","2004","42","","87","94","10.2113/gscanmin.42.1.87","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004834","9.9097","","9.9097","","7.4026","","90","","90","","120","","629.558","","","","","","","","","","","","Ilimaussaq Alkaline Complex, South Greenland","9","P -3","-P 3","147","","","Kuannersuite-(Ce)","- Ba5.886 Ce1.18 Cl0.59 F2.41 La0.3 Na2 Nd0.52 O24 P6 -","- Ba5.886 Ce1.18 Cl0.59 F2.41 La0.3 Na2.34 Nd0.52 O24 P6 -","- Ba5.886 Ce1.18 Cl0.59 F2.41 La0.3 Na2.34 Nd0.52 O24 P6 -","1","0.166667","","Friis, H.; Balic-Zunic T; Pekov, I. V.; Petersen, O. V.","Kuannersuite-(Ce), Ba6Na2REE2(PO4)6FCl, a new member of the apatite group, from the Ilimaussaq Alkaline Complex, South Greenland: Description and crystal chemistry Locality: Ilimaussaq Alkaline Complex, South Greenland","The Canadian Mineralogist","2004","42","","95","106","10.2113/gscanmin.42.1.95","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004835","8.141","","8.176","","9.038","","90","","90","","90","","601.577","","","","","","","","","","","","Dara-i-Pioz alkaline massif, Northern Tajikistan","4","P n m a","-P 2ac 2n","62","","","Maleevite","- B2 Ba O8 Si2 -","- B2 Ba O8 Si2 -","- B8 Ba4 O32 Si8 -","4","0.5","","Pautov, L. A.; Agakhanov, A. A.; Sokolova, E. V.; Hawthorne, F. C.","Maleevite, BaB2Si2O8, and pekovite, SrB2Si2O8, new mineral species from the Dara-i-Pioz alkaline massif, Northern Tajikistan: Description and crystal structure Locality: Dara-i-Pioz alkaline massif, Northern Tajikistan","The Canadian Mineralogist","2004","42","","107","119","10.2113/gscanmin.42.1.107","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004836","8.155","","7.919","","8.921","","90","","90","","90","","576.113","","","","","","","","","","","","Dara-i-Pioz alkaline massif, Northern Tajikistan","4","P n m a","-P 2ac 2n","62","","","Pekovite","- B2 O8 Si2 Sr -","- B2 O8 Si2 Sr -","- B8 O32 Si8 Sr4 -","4","0.5","","Pautov, L. A.; Agakhanov, A. A.; Sokolova, E. V.; Hawthorne, F. C.","Maleevite, BaB2Si2O8, and pekovite, SrB2Si2O8, new mineral species from the Dara-i-Pioz alkaline massif, Northern Tajikistan: Description and crystal structure Locality: Dara-i-Pioz alkaline massif, Northern Tajikistan","The Canadian Mineralogist","2004","42","","107","119","10.2113/gscanmin.42.1.107","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004837","26.3511","","7.5464","","22.9769","","90","","107.237","","90","","4363.88","","","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","Zeravshanite","- Cs3.8 Fe0.04 H4 K0.02 Na2.18 O47 Si18 Sn0.04 Ti0.19 Zr2.73 -","- Cs3.8 Fe0.04 H4 K0.02 Na2.18 O47 Si18 Sn0.04 Ti0.19 Zr2.73 -","- Cs15.2 Fe0.16 H16 K0.08 Na8.72 O188 Si72 Sn0.16 Ti0.76 Zr10.92 -","4","0.5","","Uvarova, Y. A.; Sokolova, E. V.; Hawthorne, F. C.; Pautov, L. A.; Agakhanov, A. A.","A novel (Si18O45)18- sheet in the crystal structure of zeravshanite, Cs4Na2Zr3(Si18O45)(H2O)2","The Canadian Mineralogist","2004","42","","125","134","10.2113/gscanmin.42.1.125","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9004838","9.318","","10.092","","7.108","","97.61","","100.56","","95.97","","645.64","","","","","","","","","","","","","5","P -1","-P 1","2","","","Kingite (deuterated)","- Al3 D14 F3 O15 P2 -","- Al3 D14 F3 O15 P2 -","- Al6 D28 F6 O30 P4 -","2","1","","Wallwork, K. S.; Pring, A.; Taylor, M. R.; Hunter, B. A.","The network of hydrogen bonding in kingite, as revealed by a neutron-diffraction investigation of its deuterated analogue, Al3(PO4)2F3.7D2O","The Canadian Mineralogist","2004","42","","135","141","10.2113/gscanmin.42.1.135","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004839","12.796","","12.465","","11.001","","90","","97.39","","90","","1740.11","","","","","","","","","","","","Nancy Pegmatite, San Luis Range, Argentina","8","P 1 21/n 1","-P 2yn","14","","","Bobfergusonite","- Al0.94 Ca0.11 Fe2.16 Mg0.58 Mn3.21 Na2 O24 P6 -","- Al0.94 Ca0.11 Fe2.16 Mg0.58 Mn3.21 Na2 O24 P6 -","- Al3.76 Ca0.44 Fe8.64 Mg2.32 Mn12.84 Na8 O96 P24 -","4","1","","Tait, K. T.; Hawthorne, F. C.; Cerny, P.; Galliski, M. A.","Bobfergusonite from the Nancy Pegmatite, San Luis Range, Argentina: Crystal-structure refinement and chemical composition","The Canadian Mineralogist","2004","42","","705","716","10.2113/gscanmin.42.3.705","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004840","6.752","","12.739","","11.068","","90","","100.37","","90","","936.45","","","","","","","","","","","","Tolbachik, Kamchatka Peninsula, Russia","10","I 1 2/a 1","-I 2ya","15","","","Johillerite","- Al0.06 As3 Ca0.01 Cu1.6 Fe0.25 K0.03 Mg2.09 Na0.77 O12 Pb0.01 -","- Al0.06 As3 Ca0.01 Cu1.6 Fe0.25 K0.03 Mg2.09 Na0.77 O12 Pb0.01 -","- Al0.24 As12 Ca0.04 Cu6.4 Fe K0.12 Mg8.36 Na3.08 O48 Pb0.04 -","4","0.5","","Tait, K. T.; Hawthorne, F. C.","Johillerite from Tolbachik, Kamchatka Peninsula, Russia: Crystal-structure refinement and chemical composition","The Canadian Mineralogist","2004","42","","717","722","10.2113/gscanmin.42.3.717","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004841","11.188","","11.188","","21.91","","90","","90","","120","","2375.08","","","","","","","","","","","","Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa","5","P 3 1 c","P 3 -2c","159","","","Sturmanite","- B1.09 Ca6 Fe0.59 O49.92 S2.24 -","- B1.09 Ca6 Fe0.59 O49.92 S2.24 -","- B2.18 Ca12 Fe1.18 O99.84 S4.48 -","2","0.333333","","Pushcharovsky, D. Y.; Lebedeva, Y. S.; Zubkova, N. V.; Pasero, M.; Bellezza, M.; Merlino, S.; Chukanov, N. V.","The crystal structure of sturmanite Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa","The Canadian Mineralogist","2004","42","","723","729","10.2113/gscanmin.42.3.723","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004842","5.3834","","6.2736","","6.8454","","86.169","","91.681","","92.425","","230.387","","","","","","","","","","","","Osh Region, Kyrgyzstan","4","P -1","-P 1","2","","","Turanite","- Cu5 H4 O12 V2 -","- Cu5 H4 O12 V2 -","- Cu5 H4 O12 V2 -","1","0.5","","Sokolova, E. V.; Hawthorne, F. C.; Karpenko, V. V.; Agakhanov, A. A.; Pautov, L. A.","Turanite, Cu5(VO4)2(OH)4, from the Tyuya-Muyun radium-uranium deposit, Osh Region, Kyrgyzstan: A new structure for an old mineral","The Canadian Mineralogist","2004","42","","731","739","10.2113/gscanmin.42.3.731","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004843","12.123","","18.999","","4.9613","","90","","90","","90","","1142.71","","","","","","","","","","","","Gold Quarry Mine, Carlin, Eureka County, Nevada, USA","7","P 21 m n","P -2ab 2ab","31","","","Nevadaite","- Al4.5 Cu F4.5 H28.5 O27.32 P4 V0.5 -","- Al4.5 Cu F4.5 H22.14 O27.32 P4 V0.5 -","- Al9 Cu2 F9 H44.28 O54.64 P8 V -","2","0.5","","Cooper, M. A.; Hawthorne, F. C.; Roberts, A. C.; Foord, E. E.; Erd, R. C.; Evans, H. T.; Jensen, M. C.","Nevadaite, (Cu,_,Al,V)6[Al8(PO4)8F8](OH)2(H2O)22, a new phosphate mineral from the Gold Quarry Mine, Carlin, Eureka County, Nevada: Description and crystal structure","The Canadian Mineralogist","2004","42","","741","752","10.2113/gscanmin.42.3.741","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004844","6.787","","9.082","","10.113","","101.4","","104.27","","102.51","","568.642","","","","","","","","","","","","Gold Quarry Mine, Carlin, Eureka County, Nevada, USA","8","P -1","-P 1","2","","","Goldquarryite","- Al3 Ca0.32 Cd1.68 Cu0.7 F2.4 H12 O27.6 P4 -","- Al3 Ca0.32 Cd1.68 Cu0.7 F2.4 H23.2 O27.6 P4 -","- Al3 Ca0.32 Cd1.68 Cu0.7 F2.4 H23.2 O27.6 P4 -","1","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of goldquarryite, (Cu,_)(Cd,Ca)2Al2(PO4)4F2(H2O)10{(H2O),F}2, a secondary phosphate from the Gold Quarry Mine, Eureka County, Nevada, U.S.A. Locality: Gold Quarry Mine, Carlin, Eureka County, Nevada, USA","The Canadian Mineralogist","2004","42","","753","761","10.2113/gscanmin.42.3.753","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004845","7.204","","23.155","","6.953","","90","","90","","90","","1159.82","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","7","C 2 2 2","C 2 2","21","","","Haineaultite","- Ca0.25 H7.8 Na2.52 Nb0.2 O18.49 Si6 Ti0.925 -","- Ca0.25 H5.48 Na2.52 Nb0.2 O18.49 Si6 Ti0.925 -","- Ca0.5 H10.96 Na5.04 Nb0.4 O36.98 Si12 Ti1.85 -","2","0.25","","McDonald, A. M.; Chao, G. Y.","Haineaultite, a new hydrated sodium calcium titanosilicate from Mont Saint-Hilaire, Quebec: Description, structure determination and genetic implications Locality: Mont Saint-Hilaire, Quebec, Canada","The Canadian Mineralogist","2004","42","","769","780","10.2113/gscanmin.42.3.769","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004846","10.77","","10.77","","61.05","","90","","90","","120","","6132.64","","","","","","","","","","","","","12","R 3 2 :H","R 3 2""","155","","","Ilimaussite-(Ce)","- Ba7.9 Ce3.7 Fe1.6 H28 K3.42 Na5.82 Nb3.72 O88 Si21 Sr0.1 Th0.3 Ti1.98 -","- Ba7.90002 Ce3.70001 Fe1.59999 H28 K3.42 Na5.82 Nb3.72 O88 Si21 Sr0.1 Th0.3 Ti1.98 -","- Ba23.7001 Ce11.1 Fe4.79997 H84 K10.26 Na17.46 Nb11.16 O264 Si63 Sr0.3 Th0.9 Ti5.94 -","3","0.166667","","Ferraris, G.; Gula, A.; Zubkova, N. V.; Pushcharovsky, D. Y.; Gobetchiya, E. R.; Pekov, I. V.; Eldjarn, K.","The crystal structure of ilimaussite-(Ce), (Ba,Na)10K3Na4.5Ce5(Nb,Ti)[Si12O36][Si9O18(O,OH)24]O6, and the ""ilimaussite"" problem","The Canadian Mineralogist","2004","42","","787","795","10.2113/gscanmin.42.3.787","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9004847","5.46","","7.17","","12.041","","103.63","","96.01","","89.98","","455.446","","","","","","","","","","","","","9","P -1","-P 1","2","","","Epistolite","- Ca0.27 Fe0.04 H10 Mn0.04 Na3.79 Nb2.12 O22 Si4.4 Ti1.04 -","- Ca0.27 Fe0.04 H10 Mn0.04 Na3.79 Nb2.12 O22 Si4.4 Ti1.04 -","- Ca0.27 Fe0.04 H10 Mn0.04 Na3.79 Nb2.12 O22 Si4.4 Ti1.04 -","1","0.5","","Sokolova, E. V.; Hawthorne, F. C.","The crystal chemistry of epistolite","The Canadian Mineralogist","2004","42","","797","806","10.2113/gscanmin.42.3.797","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004848","9.9653","","13.9171","","6.5703","","133.264","","101.414","","66.302","","603.478","","","","","","","","","","","","","8","P -1","-P 1","2","","","Hubeite","- Al0.04 Ca2.12 Fe0.94 H5 Mg0.04 Mn0.87 O15 Si4 -","- Al0.04 Ca2.12 Fe0.94 H5 Mg0.04 Mn0.87 O15 Si4 -","- Al0.08 Ca4.24 Fe1.88 H10 Mg0.08 Mn1.74 O30 Si8 -","2","1","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of hubeite, a novel sorosilicate mineral","The Canadian Mineralogist","2004","42","","825","834","10.2113/gscanmin.42.3.825","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004849","4.183","","4.183","","29.137","","90","","90","","120","","441.521","","","","","","","","","","","","Kochkar deposit, southern Urals, Russia","3","R -3 m :H","-R 3 2""","166","","","Skippenite","- Bi2 Se2 Te -","- Bi2 Se2 Te -","- Bi6 Se6 Te3 -","3","0.0833333","","Bindi, L.; Cipriani, C.","The crystal structure of skippenite, Bi2Se2Te, from the Kochkar deposit, southern Urals, Russian Federation","The Canadian Mineralogist","2004","42","","835","840","10.2113/gscanmin.42.3.835","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004850","6.9555","","6.9555","","9.1389","","90","","90","","90","","442.131","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- H8 Li O10 P U -","- H8 Li O10 P U -","- H16 Li2 O20 P2 U2 -","2","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: LiUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004851","6.9616","","6.9616","","17.2677","","90","","90","","90","","836.86","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","Metanatroautunite","- Na O9 P U -","- Na O9 P U -","- Na4 O36 P4 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: NaUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004852","7.1504","","7.1504","","17.325","","90","","90","","90","","885.796","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As Na O9 U -","- As Na O9 U -","- As4 Na4 O36 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: NaUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004853","7.1669","","7.1669","","17.867","","90","","90","","90","","917.729","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As K0.908 O9.092 U -","- As K0.908 O9.092 U -","- As4 K3.632 O36.368 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: KUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004854","7.0106","","7.0106","","17.9772","","90","","90","","90","","883.553","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- O9.252 P Rb0.748 U -","- O9.252 P Rb0.748 U -","- O37.008 P4 Rb2.992 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: RbUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004855","7.1904","","7.1904","","17.643","","90","","90","","90","","912.176","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- As O9 Rb U -","- As O9 Rb U -","- As4 O36 Rb4 U4 -","4","0.5","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: RbUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004856","6.9332","","6.9332","","16.9313","","90","","90","","90","","813.875","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ag0.872 O9.128 P U -","- Ag0.872 O9.128 P U -","- Ag3.488 O36.512 P4 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: AgUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004857","7.0901","","7.0901","","17.0453","","90","","90","","90","","856.859","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ag0.932 As O9.068 U -","- Ag0.932 As O9.068 U -","- Ag3.728 As4 O36.272 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: AgUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004858","7.019","","7.019","","17.98","","90","","90","","90","","885.809","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- O9.02 P Tl0.98 U -","- O9.02 P Tl0.98 U -","- O36.08 P4 Tl3.92 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: TlUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004859","7.1905","","7.1905","","17.97","","90","","90","","90","","929.108","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- As O7.008 Tl2.992 U -","- As O7.008 Tl2.992 U -","- As4 O28.032 Tl11.968 U4 -","4","0.25","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: TlUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004860","9.8716","","9.955","","17.6465","","90","","90.402","","90","","1734.11","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs2 H10 O17 P2 U2 -","- Cs2 H10 O17 P2 U2 -","- Cs8 H40 O68 P8 U8 -","4","1","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: CsUP","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004861","14.2614","","7.1428","","17.221","","90","","91.11","","90","","1753.91","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- As2 Cs H11 O18 U2 -","- As2 Cs H11 O18 U2 -","- As8 Cs4 H44 O72 U8 -","4","1","","Locock, A. J.; Burns, P. C.; Duke, M. J. M.; Flynn, T. M.","Monovalent cations in structures of the meta-autunite group Sample: CsUAs","The Canadian Mineralogist","2004","42","","973","996","10.2113/gscanmin.42.4.973","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004862","7.5505","","7.5505","","14.7104","","90","","90","","90","","838.641","","","","","","","","","","","","","13","P 4/m c c","-P 4 2c","124","","","Arapovite","- Ba0.02 Ca1.34 Ce0.02 Dy0.02 K0.52 Li0.59 Na0.68 Nd0.04 O20 Pr0.01 Si8 Sm0.01 Th0.26 -","- Ba0.02 Ca1.34 Ce0.02 Dy0.02 K0.52 Li0.59 Na0.68 Nd0.04 O20 Pr0.01 Si8 Sm0.01 Th0.26 -","- Ba0.04 Ca2.68 Ce0.04 Dy0.04 K1.04 Li1.18 Na1.36 Nd0.08 O40 Pr0.02 Si16 Sm0.02 Th0.52 -","2","0.125","","Uvarova, Y. A.; Sokolova, E. V.; Hawthorne, F. C.; Agakhanov, A. A.; Pautov, L. A.","The crystal structure of arapovite, U4+(Ca,Na)2(K1-x_x)[Si8O20],x~0.5, a new mineral species of the steacyite group from the Dara-i-Pioz moraine, Tien-Shan Mountains, Tajikistan Locality: Dara-i-Pioz moraine, Tien-Shan Mountains, Tajikistan","The Canadian Mineralogist","2004","42","","1005","1011","10.2113/gscanmin.42.4.1005","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9004863","13.4319","","5.7628","","11.0914","","90","","100.629","","90","","843.803","","","","","","","","","","","","Mongolia","5","C 1 2/m 1","-C 2y","12","","","Chevkinite-(Ce)","- Ce4 Fe3 O22 Si4 Ti2 -","- Ce4 Fe3 O22 Si4 Ti2 -","- Ce8 Fe6 O44 Si8 Ti4 -","2","0.25","","Sokolova, E. V.; Hawthorne, F. C.; Della Ventura, G.; Kartashov, P. M.","Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced damage on site-occupancy refinement Locality: Mongolia Crystal (1)","The Canadian Mineralogist","2004","42","","1013","1025","10.2113/gscanmin.42.4.1013","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004864","13.534","","5.789","","11.159","","90","","100.57","","90","","859.454","","","","","","","","","","","","Mongolia","5","C 1 2/m 1","-C 2y","12","","","Chevkinite-(Ce)","- Ce4 Fe3 O22 Si4 Ti2 -","- Ce4 Fe3 O22 Si4 Ti2 -","- Ce8 Fe6 O44 Si8 Ti4 -","2","0.25","","Sokolova, E. V.; Hawthorne, F. C.; Della Ventura, G.; Kartashov, P. M.","Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced damage on site-occupancy refinement Locality: Mongolia Reported formula: (Ce1.85 La1.11 Nd.53 Pr.15 Sm.04 Gd.03 Ca.32 Th.02) (Fe2+.85 Mn2+.04 Zr.03 Y.03 Ca.05) (Ti2.54 Fe3+1.19 Nb.15) Si4.06 O22 Crystal (2)","The Canadian Mineralogist","2004","42","","1013","1025","10.2113/gscanmin.42.4.1013","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004865","13.4","","5.7232","","11.0573","","90","","100.537","","90","","833.694","","","","","","","","","","","","Mongolia","10","C 1 2/m 1","-C 2y","12","","","Chevkinite-(Ce)","- Ca0.05 Ce4 Fe2.04 Mn0.04 Nb0.16 O22 Si4 Ti2.57 Y0.03 Zr0.03 -","- Ca0.05 Ce4 Fe2.04 Mn0.04 Nb0.16 O22 Si4 Ti2.57 Y0.03 Zr0.03 -","- Ca0.1 Ce8 Fe4.08 Mn0.08 Nb0.32 O44 Si8 Ti5.14 Y0.06 Zr0.06 -","2","0.25","","Sokolova, E. V.; Hawthorne, F. C.; Della Ventura, G.; Kartashov, P. M.","Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced damage on site-occupancy refinement Locality: Mongolia Reported formula: (Ce1.85 La1.11 Nd.53 Pr.15 Sm.04 Gd.03 Ca.32 Th.02) (Fe2+.85 Mn2+.04 Zr.03 Y.03 Ca.05) (Ti2.54 Fe3+1.19 Nb.15) Si4.06 O22 Crystal (2an)","The Canadian Mineralogist","2004","42","","1013","1025","10.2113/gscanmin.42.4.1013","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004866","13.368","","5.7243","","11.041","","90","","100.516","","90","","830.694","","","","","","","","","","","","Mongolia","8","C 1 2/m 1","-C 2y","12","","","Chevkinite-(Ce)","- Ce4 Fe2.22 Mn0.06 Nb0.16 O22 Si4 Ti2.55 Zr0.01 -","- Ce4 Fe2.22 Mn0.06 Nb0.16 O22 Si4 Ti2.55 Zr0.01 -","- Ce8 Fe4.44 Mn0.12 Nb0.32 O44 Si8 Ti5.1 Zr0.02 -","2","0.25","","Sokolova, E. V.; Hawthorne, F. C.; Della Ventura, G.; Kartashov, P. M.","Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced damage on site-occupancy refinement Locality: Mongolia Reported formula: (Ce1.88 La1.01 Nd.61 Pr.19 Sm.06 Gd.03 Ca.27 Y.03 Th.02) (Fe2+.93 Mn.06 Zr.01) (Ti2.55 Fe3+1.29 Nb.16) Si3.91 O22 Crystal (3an)","The Canadian Mineralogist","2004","42","","1013","1025","10.2113/gscanmin.42.4.1013","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004867","7.378","","12.779","","10.096","","90","","90","","90","","951.886","","","","","","","","","","","","","5","P b n n","-P 2n 2b","52","","","Catapleiite","- Ca H4 O11 Si3 Zr -","- Ca H4 O11 Si3 Zr -","- Ca4 H16 O44 Si12 Zr4 -","4","0.5","","Merlino S; Pasero M; Bellezza M; Pushcharovsky D Y; Gobetchia E R; Zubkova N V; Pekov I V","The crystal structure of calcium catapleiite","The Canadian Mineralogist","2004","42","","1037","1045","10.2113/gscanmin.42.4.1037","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004868","9.22351","","9.22351","","9.22351","","90","","90","","90","","784.673","","","","736.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 463 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004869","9.22293","","9.22293","","9.22293","","90","","90","","90","","784.525","","","","785.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 512 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004870","9.22621","","9.22621","","9.22621","","90","","90","","90","","785.362","","","","834.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 561 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004871","9.23004","","9.23004","","9.23004","","90","","90","","90","","786.341","","","","899.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 626 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004872","9.23261","","9.23261","","9.23261","","90","","90","","90","","786.998","","","","947.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 674 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004873","9.23537","","9.23537","","9.23537","","90","","90","","90","","787.704","","","","996.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 723 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004874","9.23791","","9.23791","","9.23791","","90","","90","","90","","788.354","","","","1044.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 771 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004875","9.24124","","9.24124","","9.24124","","90","","90","","90","","789.207","","","","1093.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 820 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004876","9.24421","","9.24421","","9.24421","","90","","90","","90","","789.968","","","","1142.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 869 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004877","9.24569","","9.24569","","9.24569","","90","","90","","90","","790.347","","","","1174.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 901 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004878","9.24675","","9.24675","","9.24675","","90","","90","","90","","790.619","","","","1206.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 933 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004879","9.25191","","9.25191","","9.25191","","90","","90","","90","","791.943","","","","1255.15","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 Cr O16 -","- Al6 Ca4 Cr O16 -","- Al12 Ca8 Cr2 O31.9999 -","2","0.0416667","","Antao, S. M.; Hassan, I.; Parise, J. B.","Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 982 C","The Canadian Mineralogist","2004","42","","1047","1056","10.2113/gscanmin.42.4.1047","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004880","15.938","","15.938","","7.136","","90","","90","","120","","1569.83","","","","","","","","","","","","Eibenstein, Austria","13","R 3 m :H","R 3 -2""","160","","","Olenite","- Al7.656 B3 Ca0.01 F0.14 Fe0.93 H1.92 Li0.048 Mg0.132 Mn0.42 Na0.52 O30.86 Si5.73 Ti0.03 -","- Al7.656 B3 Ca0.01 F0.14 Fe0.93 H1.92 Li0.048 Mg0.132 Mn0.42 Na0.52 O30.86 Si5.73 Ti0.03 -","- Al22.968 B9 Ca0.03 F0.42 Fe2.79 H5.76 Li0.144 Mg0.396 Mn1.26 Na1.56 O92.58 Si17.19 Ti0.09 -","3","0.166667","","Ertl, A.; Pertlik, F.; Dyar, M. D.; Prowatke, S.; Hughes, J. M.; Ludwig, T.; Bernhardt, H. J.","Fe-rich olenite with tetrahedrally coordinated Fe3+ from Eibenstein, Austria: Structural, chemical, and Mossbauer data Locality: Eibenstein, Austria","The Canadian Mineralogist","2004","42","","1057","1063","10.2113/gscanmin.42.4.1057","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004881","4.7383","","10.429","","6.0923","","90","","90","","90","","301.055","","","","","","","","","","","","Bennett Quarry, Buckfield, Maine","5","P b n m","-P 2c 2ab","62","","","Lithiophilite","- Fe0.062 Li Mn0.933 O4 P -","- Fe0.062 Li Mn0.933 O4 P -","- Fe0.248 Li4 Mn3.732 O16 P4 -","4","0.5","","Losey, A.; Rakovan, J. F.; Hughes, J. M.; Francis, C. A.; Dyar, M. D.","Structural variation in the lithiophilite-triphylite series and other olivine-group structures Note: sample Trip06","The Canadian Mineralogist","2004","42","","1105","1115","10.2113/gscanmin.42.4.1105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004882","4.7247","","10.4084","","6.0705","","90","","90","","90","","298.526","","","","","","","","","","","","Fillow Quarry, Branchville, Connecticut","5","P b n m","-P 2c 2ab","62","","","Lithiophilite","- Fe0.265 Li Mn0.704 O4 P -","- Fe0.265 Li Mn0.704 O4 P -","- Fe1.06 Li4 Mn2.816 O16 P4 -","4","0.5","","Losey, A.; Rakovan, J. F.; Hughes, J. M.; Francis, C. A.; Dyar, M. D.","Structural variation in the lithiophilite-triphylite series and other olivine-group structures Sample: Trip27","The Canadian Mineralogist","2004","42","","1105","1115","10.2113/gscanmin.42.4.1105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004883","4.7138","","10.3826","","6.0499","","90","","90","","90","","296.091","","","","","","","","","","","","BB#7 Quarry, Norway, Maine","5","P b n m","-P 2c 2ab","62","","","Triphylite","- Fe0.503 Li Mn0.497 O4 P -","- Fe0.503 Li Mn0.497 O4 P -","- Fe2.012 Li4 Mn1.988 O16 P4 -","4","0.5","","Losey, A.; Rakovan, J. F.; Hughes, J. M.; Francis, C. A.; Dyar, M. D.","Structural variation in the lithiophilite-triphylite series and other olivine-group structures Sample: Trip50","The Canadian Mineralogist","2004","42","","1105","1115","10.2113/gscanmin.42.4.1105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004884","4.7006","","10.341","","6.0166","","90","","90","","90","","292.46","","","","","","","","","","","","Palermo #1 Quarry, Groton, New Hampshire","6","P b n m","-P 2c 2ab","62","","","Triphylite","- Fe0.753 Li Mg0.056 Mn0.201 O4 P -","- Fe0.753 Li Mg0.056 Mn0.201 O4 P -","- Fe3.012 Li4 Mg0.224 Mn0.804 O16 P4 -","4","0.5","","Losey, A.; Rakovan, J. F.; Hughes, J. M.; Francis, C. A.; Dyar, M. D.","Structural variation in the lithiophilite-triphylite series and other olivine-group structures Sample: Trip79","The Canadian Mineralogist","2004","42","","1105","1115","10.2113/gscanmin.42.4.1105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004885","4.6904","","10.2855","","5.9871","","90","","90","","90","","288.836","","","","","","","","","","","","G.E. Smith Quarry, Newport, New Hampshire","6","P b n m","-P 2c 2ab","62","","","Triphylite","- Fe0.687 Li Mg0.234 Mn0.089 O4 P -","- Fe0.687 Li Mg0.234 Mn0.089 O4 P -","- Fe2.748 Li4 Mg0.936 Mn0.356 O16 P4 -","4","0.5","","Losey, A.; Rakovan, J. F.; Hughes, J. M.; Francis, C. A.; Dyar, M. D.","Structural variation in the lithiophilite-triphylite series and other olivine-group structures Sample: Trip89","The Canadian Mineralogist","2004","42","","1105","1115","10.2113/gscanmin.42.4.1105","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004886","7.1359","","7.1439","","11.3616","","81.592","","81.639","","88.918","","566.877","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- As2 H24 Mn O24 U2 -","- As2 H24 Mn O24 U2 -","- As2 H24 Mn O24 U2 -","1","0.5","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MnUAs12","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004887","7.1552","","7.1586","","11.2912","","81.487","","81.41","","88.891","","565.558","","","","","","","","","","","","","5","P -1","-P 1","2","","","Kirchheimerite","- As2 Co H24 O24 U2 -","- As2 Co H24 O24 U2 -","- As2 Co H24 O24 U2 -","1","0.5","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: CoUAs12","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004888","7.1594","","7.161","","11.3146","","81.391","","81.177","","88.884","","566.756","","","","","","","","","","","","","5","P -1","-P 1","2","","","Novacekite I","- As2 H24 Mg O24 U2 -","- As2 H24 Mg O24 U2 -","- As2 H24 Mg O24 U2 -","1","0.5","","Locock A J; Burns P C; Flynn M","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MgUAs12","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004889","7.1523","","7.1583","","11.2564","","81.549","","81.356","","88.916","","563.573","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- As2 H24 Ni O24 U2 -","- As2 H24 Ni O24 U2 -","- As2 H24 Ni O24 U2 -","1","0.5","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: NiUAs12","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004890","6.9962","","7.0012","","11.171","","81.591","","82.189","","88.721","","536.269","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- H24 Ni O24 P2 U2 -","- H24 Ni O24 P2 U2 -","- H24 Ni O24 P2 U2 -","1","0.5","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: NiUP12","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004891","6.9656","","20.3768","","6.9775","","90","","91.019","","90","","990.206","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- H20 Mn O22 P2 U2 -","- H20 Mn O22 P2 U2 -","- H40 Mn2 O44 P4 U4 -","2","0.25","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MnUP10","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004892","6.949","","19.9348","","6.962","","90","","90.44","","90","","964.396","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Co H20 O22 P2 U2 -","- Co H20 O22 P2 U2 -","- Co2 H40 O44 P4 U4 -","2","0.5","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: CoUP10","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004893","6.9506","","19.8215","","6.9711","","90","","90.418","","90","","960.392","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H20 Ni O22 P2 U2 -","- H20 Ni O22 P2 U2 -","- H40 Ni2 O44 P4 U4 -","2","0.5","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: NiUP10","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004894","7.1328","","20.085","","7.1569","","90","","90.585","","90","","1025.26","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","Novacekite II","- As2 H20 Mg O22 U2 -","- As2 H20 Mg O22 U2 -","- As4 H40 Mg2 O44 U4 -","2","0.5","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MgUAs10","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004895","7.2244","","9.917","","13.337","","75.012","","84.136","","81.995","","911.832","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- As2 H16 Mn O20 U2 -","- As2 H16 Mn O20 U2 -","- As4 H32 Mn2 O40 U4 -","2","1","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MnUAs8","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004896","7.2072","","9.8242","","13.2708","","75.3701","","84.024","","81.839","","897.678","","","","","","","","","","","","","5","P -1","-P 1","2","","","Metakahlerite","- As2 Fe H16 O20 U2 -","- As2 Fe H16 O20 U2 -","- As4 Fe2 H32 O40 U4 -","2","1","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: FeUAs8","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004897","7.1955","","9.7715","","13.2319","","75.525","","84.052","","81.661","","889.083","","","","","","","","","","","","","5","P -1","-P 1","2","","","Metakirchheimerite","- As2 Co H16 O20 U2 -","- As2 Co H16 O20 U2 -","- As4 Co2 H32 O40 U4 -","2","1","","Locock, A. J.; Burns, P. C.; Flynn, M.","Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: CoUAs8","The Canadian Mineralogist","2004","42","","1699","1718","10.2113/gscanmin.42.6.1699","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004898","9.965","","9.965","","9.965","","90","","90","","90","","989.537","","","","","","","","","","","","De Lamar mine, Owyhee County, Idaho, USA","3","I 41 3 2","I 4bd 2c 3","214","","","Fischesserite","- Ag3 Au Se2 -","- Ag3 Au Se2 -","- Ag24 Au8 Se16 -","8","0.166667","","Bindi, L.; Cipriani, C.","Structural and physical properties of fischesserite, a rare gold-silver selenide from the De Lamar mine, Owyhee County, Idaho, USA Locality: De Lamar mine, Owyhee County, Idaho, USA","The Canadian Mineralogist","2004","42","","1733","1737","10.2113/gscanmin.42.6.1733","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004899","10.125","","10.125","","10.125","","90","","90","","90","","1037.97","","","","","","","","","","","","Capillitas, Catamarca, Argentina","4","F -4 3 m","F -4 2 3","216","","","Putzite","- Ag3.48 Cu4.68 Ge S6 -","- Ag3.48 Cu4.68 Ge S6 -","- Ag13.92 Cu18.72 Ge4 S24 -","4","0.0416667","","Paar, W. H.; Roberts, A. C.; Berlepsch, P.; Armbruster, T.; Topa, D.; Zagler, G.","Putzite, (Cu4.7Ag3.3)8GeS6, a new mineral species, from Capillitas, Catamarca, Argentina: Description and crystal structure Locality: Capillitas, Catamarca, Argentina","The Canadian Mineralogist","2004","42","","1757","1769","10.2113/gscanmin.42.6.1757","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004900","5.13058","","5.13058","","14.2465","","90","","90","","120","","324.767","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mn0.9 O3 Ti Zn0.1 -","- Mn0.9 O3 Ti Zn0.1 -","- Mn5.4 O18 Ti6 Zn0.6 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .1, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004901","5.11892","","5.11892","","14.1741","","90","","90","","120","","321.649","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Pyrophanite","- Mn0.7 O3 Ti Zn0.3 -","- Mn0.7 O3 Ti Zn0.3 -","- Mn4.2 O18 Ti6 Zn1.8 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .3, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004902","5.1063","","5.1063","","14.0992","","90","","90","","120","","318.374","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Pyrophanite-ecandrewsite","- Mn0.5 O3 Ti Zn0.5 -","- Mn0.5 O3 Ti Zn0.5 -","- Mn3 O18 Ti6 Zn3 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .5, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004903","5.09472","","5.09472","","14.0302","","90","","90","","120","","315.381","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Ecandrewsite","- Mn0.3 O3 Ti Zn0.7 -","- Mn0.3 O3 Ti Zn0.7 -","- Mn1.8 O18 Ti6 Zn4.2 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .7, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004904","5.08849","","5.08849","","13.9937","","90","","90","","120","","313.791","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Ecandrewsite","- Mn0.2 O3 Ti Zn0.8 -","- Mn0.2 O3 Ti Zn0.8 -","- Mn1.2 O18 Ti6 Zn4.8 -","6","0.333333","","Mitchell, R. H.; Liferovich, R. P.","The pyrophanite-ecandrewsite solid-solution: crystal structures of the Mn1-xZnxSiO3 series (0.1 <= x <= 0.8) Sample: x = .8, ilmenite structure","The Canadian Mineralogist","2004","42","","1871","1880","10.2113/gscanmin.42.6.1871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005636","6.929","","7.129","","6.697","","90","","104.46","","90","","320.331","","","","","","","","","","","","Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden","8","P 1 21/n 1","-P 2yn","14","","","Gasparite-(Ce)","- As0.71 Ca0.01 Ce0.77 La0.1 Nd0.1 O4 P0.29 Pr0.02 -","- As0.71 Ca0.01 Ce0.77 La0.1 Nd0.1 O4 P0.29 Pr0.02 -","- As2.84 Ca0.04 Ce3.08 La0.4 Nd0.4 O16 P1.16 Pr0.08 -","4","1","","Kolitsch, U.; Holtstam, D.; Gatedal, K.","Crystal chemistry of REEXO4 compounds (X = P, As, V). I. Paragenesis and crystal structure of phosphatian gasparite-(Ce) from the Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden","European Journal of Mineralogy","2004","16","","111","116","10.1127/0935-1221/2004/0016-0111","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005637","16.882","","16.882","","5.2251","","90","","90","","120","","1289.65","","","","","","","","","","","","Camporrells-Estopanya area, Huesca, Spain","9","P 3 c 1","P 3 -2""c","158","","","Aerinite","- C0.59 H18 Al3.05 Ca2.52 Fe1.36 Mg0.5 Na0.24 O31.77 Si6 -","- C0.59 H21 Al3.05 Ca2.52 Fe1.36 Mg0.5 Na0.24 O33.27 Si6 -","- C1.18 H42 Al6.1 Ca5.04 Fe2.72 Mg Na0.48 O66.54 Si12 -","2","0.333333","","Rius, J.; Elkaim, E.; Torrelles, X.","Structure determination of the blue mineral pigment aerinite from synchrotron powder diffraction data: The solution of an old riddle","European Journal of Mineralogy","2004","16","","127","134","10.1127/0935-1221/2004/0016-0127","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9005638","12.6216","","12.6216","","5.1293","","90","","90","","120","","707.648","","","","","","","","","","","","Cava Satom, Cameroon","8","P 63","P 6c","173","","","Cancrinite","- C0.713 H3.54 Al3 Ca0.435 Na3.565 O15.279 S0.035 Si3 -","- C0.713 H1.99998 Al3 Ca0.435 Na3.565 O15.279 S0.035 Si3 -","- C1.426 H3.99996 Al6 Ca0.87 Na7.13 O30.558 S0.07 Si6 -","2","0.333333","","Ballirano, P.; Maras, A.","The crystal structure of a ""disordered"" cancrinite","European Journal of Mineralogy","2004","16","","135","141","10.1127/0935-1221/2004/0016-0135","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005639","11.207","","11.207","","8.166","","90","","90","","90","","1025.62","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- F K2 O10 Sc Si4 -","- F K2 O10 Sc Si4 -","- F4 K8 O40 Sc4 Si16 -","4","0.25","","Kolitsch, U.; Tillmanns, E.","The structural relation between the new synthetic silicate K2ScFSi4O10 and narsarsukite, Na2(Ti,Fe3+)(O,F)Si4O10","European Journal of Mineralogy","2004","16","","143","149","10.1127/0935-1221/2004/0016-0143","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005640","5.3444","","3.03","","10.506","","90","","94.46","","90","","169.614","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","Alumino-magnesiohulsite","- Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -","- Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -","- Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -","1","0.25","","Pertsev N N; Schreyer W; Armbruster T; Bernhardt H J; Medenbach O","Alumino-magnesiohulsite, a new member of the hulsite group, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia Locality: east of Verkhoyansk, Sakha-Yakutia, Russia","European Journal of Mineralogy","2004","16","","151","161","10.1127/0935-1221/2004/0016-0151","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005641","19.647","","10.087","","9.963","","90","","90","","90","","1974.46","","","","","","","","","","","","Tsumeb, Namibia","6","P n m a","-P 2ac 2n","62","","","Calcioandyrobertsite","- As5 Ca Cu5 H6 K O22 -","- As5 Ca Cu5 H6 K O22 -","- As20 Ca4 Cu20 H24 K4 O88 -","4","0.5","","Sarp, H.; Cerny, R.","Calcio-andyrobertsite-2O, KCaCu5(AsO4)4[AsO2(OH)2]*2H2O: its description, crystal structure and relation with calcio-andyrobertsite-1M Note: polytype 2O","European Journal of Mineralogy","2004","16","","163","169","10.1127/0935-1221/2004/0016-0163","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005642","9.186","","9.186","","9.186","","68.82","","68.82","","68.82","","649.784","","","","","","","","","","","","the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy","9","R -3 :R","-P 3*","148","","","Gramaccioliite-(Y)","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","1","0.166667","","Orlandi, P.; Pasero, M.; Rotiroti, N.; Olmi, F.; Demartin, F.; Moelo, Y.","Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy Locality: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy","European Journal of Mineralogy","2004","16","","171","175","10.1127/0935-1221/2004/0016-0171","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005643","9.869","","17.933","","5.322","","90","","105.29","","90","","908.552","","","","","","","","","","","","Kasuga-mura, Gifu Prefecture, central Japan","12","C 1 2/m 1","-C 2y","12","","","Magnesiosadanagaite","- Al3.58 Ca1.95 F0.13 Fe0.82 H1.87 K0.09 Mg2.9 Mn0.02 Na0.94 O23.87 Si5.4 Ti0.3 -","- Al3.58 Ca1.95 F0.13 Fe0.82 H1.87 K0.09 Mg2.9 Mn0.02 Na0.94 O23.87 Si5.4 Ti0.3 -","- Al7.16 Ca3.9 F0.26 Fe1.64 H3.74 K0.18 Mg5.8 Mn0.04 Na1.88 O47.74 Si10.8 Ti0.6 -","2","0.25","","Banno, Y.; Miyawaki, R.; Matsubara, S.; Makino, K.; Bunno, M.; Yamada, S.; Kamiya, T.","Magnesiosadanagaite, a new member of the amphibole group from Kasuga-mura, Gifu Prefecture, central Japan Sample: GSJ M35151-1","European Journal of Mineralogy","2004","16","","177","183","10.1127/0935-1221/2004/0016-0177","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005644","9.906","","17.971","","5.319","","90","","105.48","","90","","912.542","","","","","","","","","","","","Kasuga-mura, Gifu Prefecture, central Japan","13","C 1 2/m 1","-C 2y","12","","","Magnesiosadanagaite","- Al3.4 Ca1.97 Cl0.03 F0.07 Fe0.78 H1.9 K0.27 Mg3.07 Mn0.02 Na0.74 O23.9 Si5.46 Ti0.29 -","- Al3.4 Ca1.97 Cl0.03 F0.07 Fe0.78 H1.9 K0.27 Mg3.07 Mn0.02 Na0.74 O23.9 Si5.46 Ti0.29 -","- Al6.8 Ca3.94 Cl0.06 F0.14 Fe1.56 H3.8 K0.54 Mg6.14 Mn0.04 Na1.48 O47.8 Si10.92 Ti0.58 -","2","0.25","","Banno, Y.; Miyawaki, R.; Matsubara, S.; Makino, K.; Bunno, M.; Yamada, S.; Kamiya, T.","Magnesiosadanagaite, a new member of the amphibole group from Kasuga-mura, Gifu Prefecture, central Japan Sample: GSJ M35151-2","European Journal of Mineralogy","2004","16","","177","183","10.1127/0935-1221/2004/0016-0177","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005645","5.716","","5.716","","55.444","","90","","90","","120","","1568.81","","","","","","","","","","","","Egbe District, Kabba Province, Nigeria","10","R -3 :H","-R 3","148","","","Ferronigerite-6N6S","- Al14.784 Fe1.97 H2 Li0.576 Mg0.258 Mn0.034 O32 Sn1.736 Ti0.264 Zn2.102 -","- Al14.784 Fe1.97 H2 Li0.576 Mg0.258 Mn0.034 O32 Sn1.736 Ti0.264 Zn2.102 -","- Al44.352 Fe5.91 H6 Li1.728 Mg0.774 Mn0.102 O96 Sn5.208 Ti0.792 Zn6.306 -","3","0.166667","","Armbruster, T.; Feenstra, A.","Lithium in nigerite-group minerals Note: sample #N17471 Note: X-coordinate of O7 adjusted to make the four M8-O7 bonds equivalent","European Journal of Mineralogy","2004","16","","247","254","10.1127/0935-1221/2004/0016-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005646","5.7109","","5.7109","","55.373","","90","","90","","120","","1564","","","","","","","","","","","","abandoned tin mine Tsomtaub, between Omaruru and Uis, Namibia","10","R -3 :H","-R 3","148","","","Ferronigerite-6N6S","- Al14.862 Fe1.95 H2 Li0.66 Mg0.24 Mn0.06 O32 Sn1.606 Ti0.394 Zn1.988 -","- Al14.862 Fe1.95 H2 Li0.66 Mg0.24 Mn0.06 O32 Sn1.606 Ti0.394 Zn1.988 -","- Al44.586 Fe5.85 H6 Li1.98 Mg0.72 Mn0.18 O96 Sn4.818 Ti1.182 Zn5.964 -","3","0.166667","","Armbruster, T.; Feenstra, A.","Lithium in nigerite-group minerals","European Journal of Mineralogy","2004","16","","247","254","10.1127/0935-1221/2004/0016-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005647","15.961","","15.961","","7.2214","","90","","90","","120","","1593.21","","","","","","","","","","","","Olkhon (Lake Baikal), Siberia","13","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al5.37 B3 Ca0.246 Cr0.3 F0.081 H0.536 K0.012 Mg2.55 Na0.457 O30.919 Si5.952 Ti0.024 V0.804 -","- Al5.37 B3 Ca0.246 Cr0.3 F0.081 H0.536 K0.012 Mg2.55 Na0.457 O30.919 Si5.952 Ti0.024 V0.804 -","- Al16.11 B9 Ca0.738 Cr0.9 F0.243 H1.608 K0.036 Mg7.65 Na1.371 O92.757 Si17.856 Ti0.072 V2.412 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline sample TM507c","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005648","15.9521","","15.9521","","7.2167","","90","","90","","120","","1590.4","","","","","","","","","","","","Olkhon (Lake Baikal), Siberia","14","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al5.628 B3 Ca0.335 Cr0.159 F0.054 Fe0.003 H0.507 K0.01 Mg2.715 Na0.479 O30.946 Si5.952 Ti0.039 V0.504 -","- Al5.628 B3 Ca0.335 Cr0.159 F0.054 Fe0.003 H0.507 K0.01 Mg2.715 Na0.479 O30.946 Si5.952 Ti0.039 V0.504 -","- Al16.884 B9 Ca1.005 Cr0.477 F0.162 Fe0.009 H1.521 K0.03 Mg8.145 Na1.437 O92.838 Si17.856 Ti0.117 V1.512 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM507e","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005649","15.9433","","15.9433","","7.2095","","90","","90","","120","","1587.06","","","","","","","","","","","","Beresov Mine, Siberia","15","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.228 B3 Ca0.077 F0.004 Fe0.6 H0.632 K0.004 Mg2.085 Mn0.003 Na0.751 O30.996 Si5.988 Ti0.084 V0.003 Zn0.009 -","- Al6.228 B3 Ca0.077 F0.004 Fe0.6 H0.632 K0.004 Mg2.085 Mn0.003 Na0.751 O30.996 Si5.988 Ti0.084 V0.003 Zn0.009 -","- Al18.684 B9 Ca0.231 F0.012 Fe1.8 H1.896 K0.012 Mg6.255 Mn0.009 Na2.253 O92.988 Si17.964 Ti0.252 V0.009 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM235a","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005650","15.9388","","15.9388","","7.205","","90","","90","","120","","1585.17","","","","","","","","","","","","Beresov Mine, Siberia","15","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.303 B3 Ca0.094 Cr0.003 F0.046 Fe0.576 H0.572 K0.003 Mg2.064 Na0.724 O30.954 Si5.982 Ti0.063 V0.003 Zn0.012 -","- Al6.303 B3 Ca0.094 Cr0.003 F0.046 Fe0.576 H0.572 K0.003 Mg2.064 Na0.724 O30.954 Si5.982 Ti0.063 V0.003 Zn0.012 -","- Al18.909 B9 Ca0.282 Cr0.009 F0.138 Fe1.728 H1.716 K0.009 Mg6.192 Na2.172 O92.862 Si17.946 Ti0.189 V0.009 Zn0.036 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM235b","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005651","15.9633","","15.9633","","7.1942","","90","","90","","120","","1587.66","","","","","","","","","","","","Haddam, Connecticut, U.S.A.","16","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.198 B3 Ca0.257 Cr0.009 F0.126 Fe0.834 H0.47 K0.002 Mg2.013 Mn0.003 Na0.558 O30.874 Si5.856 Ti0.054 V0.009 Zn0.009 -","- Al6.198 B3 Ca0.257 Cr0.009 F0.126 Fe0.834 H0.47 K0.002 Mg2.013 Mn0.003 Na0.558 O30.874 Si5.856 Ti0.054 V0.009 Zn0.009 -","- Al18.594 B9 Ca0.771 Cr0.027 F0.378 Fe2.502 H1.41 K0.006 Mg6.039 Mn0.009 Na1.674 O92.622 Si17.568 Ti0.162 V0.027 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM112a","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005652","15.9636","","15.9636","","7.1911","","90","","90","","120","","1587.04","","","","","","","","","","","","Haddam, Connecticut, U.S.A.","15","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al6.198 B3 Ca0.263 Cr0.015 F0.06 Fe0.801 H0.469 K0.003 Mg2.034 Mn0.009 Na0.559 O30.94 Si5.88 Ti0.06 V0.009 -","- Al6.198 B3 Ca0.263 Cr0.015 F0.06 Fe0.801 H0.469 K0.003 Mg2.034 Mn0.009 Na0.559 O30.94 Si5.88 Ti0.06 V0.009 -","- Al18.594 B9 Ca0.789 Cr0.045 F0.18 Fe2.403 H1.407 K0.009 Mg6.102 Mn0.027 Na1.677 O92.82 Si17.64 Ti0.18 V0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM112c","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005653","15.9355","","15.9355","","7.2002","","90","","90","","120","","1583.46","","","","","","","","","","","","Zillerthal, Tyrol, Austria","14","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.387 B3 Ca0.099 F0.004 Fe0.486 H0.633 K0.004 Mg2.151 Na0.714 O30.995 Si5.922 Ti0.039 V0.003 Zn0.012 -","- Al6.387 B3 Ca0.099 F0.004 Fe0.486 H0.633 K0.004 Mg2.151 Na0.714 O30.995 Si5.922 Ti0.039 V0.003 Zn0.012 -","- Al19.161 B9 Ca0.297 F0.012 Fe1.458 H1.899 K0.012 Mg6.453 Na2.142 O92.985 Si17.766 Ti0.117 V0.009 Zn0.036 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM233g","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005654","15.9267","","15.9267","","7.1991","","90","","90","","120","","1581.47","","","","","","","","","","","","Kwale, Mombasa, Kenya","16","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al6.213 B3 Ca0.007 Cr0.006 F0.021 Fe0.54 H0.405 K0.011 Mg2.208 Mn0.003 Na0.742 O30.978 Si6 Ti0.021 V0.003 Zn0.003 -","- Al6.213 B3 Ca0.007 Cr0.006 F0.021 Fe0.54 H0.405 K0.011 Mg2.208 Mn0.003 Na0.742 O30.978 Si6 Ti0.021 V0.003 Zn0.003 -","- Al18.639 B9 Ca0.021 Cr0.018 F0.063 Fe1.62 H1.215 K0.033 Mg6.624 Mn0.009 Na2.226 O92.934 Si18 Ti0.063 V0.009 Zn0.009 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM501e","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005655","15.9391","","15.9391","","7.1515","","90","","90","","120","","1573.46","","","","","","","","","","","","Cooma, New South Wales, Australia","15","R 3 m :H","R 3 -2""","160","","","Oxy-schorl","- Al6.981 B3 Ca0.01 F0.038 Fe1.365 H0.395 K0.006 Mg0.612 Mn0.054 Na0.451 O30.963 Si5.952 Ti0.027 V0.003 Zn0.012 -","- Al6.981 B3 Ca0.01 F0.038 Fe1.365 H0.395 K0.006 Mg0.612 Mn0.054 Na0.451 O30.963 Si5.952 Ti0.027 V0.003 Zn0.012 -","- Al20.943 B9 Ca0.03 F0.114 Fe4.095 H1.185 K0.018 Mg1.836 Mn0.162 Na1.353 O92.889 Si17.856 Ti0.081 V0.009 Zn0.036 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM84a","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005656","15.9856","","15.9856","","7.184","","90","","90","","120","","1589.84","","","","","","","","","","","","Bovey Tracy, Devonshire, England","14","R 3 m :H","R 3 -2""","160","","","Hydroxy-schorl","- Al6.3 B3 Ca0.093 F0.205 Fe1.734 H0.443 K0.009 Mg0.975 Mn0.012 Na0.682 O30.795 Si5.874 Ti0.081 Zn0.015 -","- Al6.3 B3 Ca0.093 F0.205 Fe1.734 H0.443 K0.009 Mg0.975 Mn0.012 Na0.682 O30.795 Si5.874 Ti0.081 Zn0.015 -","- Al18.9 B9 Ca0.279 F0.615 Fe5.202 H1.329 K0.027 Mg2.925 Mn0.036 Na2.046 O92.385 Si17.622 Ti0.243 Zn0.045 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: TourmalineTM60e","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005657","15.9541","","15.9541","","7.2035","","90","","90","","120","","1587.88","","","","","","","","","","","","Arendal, Norway","15","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.111 B3 Ca0.11 F0.02 Fe0.783 H0.618 K0.01 Mg2.088 Mn0.006 Na0.677 O30.98 Si5.958 Ti0.042 V0.006 Zn0.009 -","- Al6.111 B3 Ca0.11 F0.02 Fe0.783 H0.618 K0.01 Mg2.088 Mn0.006 Na0.677 O30.98 Si5.958 Ti0.042 V0.006 Zn0.009 -","- Al18.333 B9 Ca0.33 F0.06 Fe2.349 H1.854 K0.03 Mg6.264 Mn0.018 Na2.031 O92.94 Si17.874 Ti0.126 V0.018 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM65e","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005658","15.9706","","15.9706","","7.2276","","90","","90","","120","","1596.49","","","","","","","","","","","","Olkhon (Lake Baikal), Siberia","16","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al5.262 B3 Ca0.412 Cr0.168 F0.314 Fe0.006 H0.248 K0.015 Mg2.784 Mn0.003 Na0.477 O30.685 Si5.91 Ti0.027 V0.831 Zn0.015 -","- Al5.262 B3 Ca0.412 Cr0.168 F0.314 Fe0.006 H0.248 K0.015 Mg2.784 Mn0.003 Na0.477 O30.685 Si5.91 Ti0.027 V0.831 Zn0.015 -","- Al15.786 B9 Ca1.236 Cr0.504 F0.942 Fe0.018 H0.744 K0.045 Mg8.352 Mn0.009 Na1.431 O92.055 Si17.73 Ti0.081 V2.493 Zn0.045 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM504c","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005659","15.9659","","15.9659","","7.1693","","90","","90","","120","","1582.68","","","","","","","","","","","","Cruziero, Minas Gerais, Brazil","13","R 3 m :H","R 3 -2""","160","","","Hydroxy-schorl","- Al6.675 B3 F0.177 Fe1.668 H0.512 K0.013 Li0.012 Mg0.663 Na0.633 O30.823 Si5.91 Ti0.051 Zn0.009 -","- Al6.675 B3 F0.177 Fe1.668 H0.512 K0.013 Li0.012 Mg0.663 Na0.633 O30.823 Si5.91 Ti0.051 Zn0.009 -","- Al20.025 B9 F0.531 Fe5.004 H1.536 K0.039 Li0.036 Mg1.989 Na1.899 O92.469 Si17.73 Ti0.153 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl2ap","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005660","15.9736","","15.9736","","7.1644","","90","","90","","120","","1583.13","","","","","","","","","","","","Cruziero, Minas Gerais, Brazil","14","R 3 m :H","R 3 -2""","160","","","Hydroxy-schorl","- Al6.798 B3 F0.178 Fe1.725 H0.538 K0.013 Li0.024 Mg0.498 Mn0.048 Na0.678 O30.821 Si5.838 Ti0.03 Zn0.039 -","- Al6.798 B3 F0.178 Fe1.725 H0.538 K0.013 Li0.024 Mg0.498 Mn0.048 Na0.678 O30.821 Si5.838 Ti0.03 Zn0.039 -","- Al20.394 B9 F0.534 Fe5.175 H1.614 K0.039 Li0.072 Mg1.494 Mn0.144 Na2.034 O92.463 Si17.514 Ti0.09 Zn0.117 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl2al","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005661","15.9669","","15.9669","","7.1745","","90","","90","","120","","1584.03","","","","","","","","","","","","Cruziero, Minas Gerais, Brazil","13","R 3 m :H","R 3 -2""","160","","","Oxy-schorl","- Al6.39 B3 F0.207 Fe1.665 K0.006 Li0.006 Mg0.906 Mn0.024 Na0.727 O30.793 Si5.94 Ti0.048 Zn0.018 -","- Al6.39 B3 F0.207 Fe1.665 K0.006 Li0.006 Mg0.906 Mn0.024 Na0.727 O30.793 Si5.94 Ti0.048 Zn0.018 -","- Al19.17 B9 F0.621 Fe4.995 K0.018 Li0.018 Mg2.718 Mn0.072 Na2.181 O92.379 Si17.82 Ti0.144 Zn0.054 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl3l","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005662","15.9664","","15.9664","","7.1758","","90","","90","","120","","1584.22","","","","","","","","","","","","Cruziero, Minas Gerais, Brazil","14","R 3 m :H","R 3 -2""","160","","","Oxy-schorl","- Al6.429 B3 F0.157 Fe1.617 H0.14 K0.009 Li0.012 Mg0.879 Mn0.027 Na0.712 O30.843 Si5.964 Ti0.051 Zn0.024 -","- Al6.429 B3 F0.157 Fe1.617 H0.14 K0.009 Li0.012 Mg0.879 Mn0.027 Na0.712 O30.843 Si5.964 Ti0.051 Zn0.024 -","- Al19.287 B9 F0.471 Fe4.851 H0.42 K0.027 Li0.036 Mg2.637 Mn0.081 Na2.136 O92.529 Si17.892 Ti0.153 Zn0.072 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl4aa","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005663","15.9341","","15.9341","","7.189","","90","","90","","120","","1580.72","","","","","","","","","","","","Lake Baikal, Siberia","16","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.339 B3 Ca0.151 Cr0.003 F0.07 Fe0.348 H0.51 K0.01 Mg2.184 Mn0.012 Na0.605 O30.93 Si5.94 Ti0.129 V0.024 Zn0.021 -","- Al6.339 B3 Ca0.151 Cr0.003 F0.07 Fe0.348 H0.51 K0.01 Mg2.184 Mn0.012 Na0.605 O30.93 Si5.94 Ti0.129 V0.024 Zn0.021 -","- Al19.017 B9 Ca0.453 Cr0.009 F0.21 Fe1.044 H1.53 K0.03 Mg6.552 Mn0.036 Na1.815 O92.79 Si17.82 Ti0.387 V0.072 Zn0.063 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9840c","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005664","15.9303","","15.9303","","7.1951","","90","","90","","120","","1581.3","","","","","","","","","","","","Lake Baikal, Siberia","16","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al6.291 B3 Ca0.187 Cr0.006 F0.054 Fe0.342 H0.442 K0.013 Mg2.214 Mn0.012 Na0.594 O30.946 Si5.952 Ti0.144 V0.039 Zn0.006 -","- Al6.291 B3 Ca0.187 Cr0.006 F0.054 Fe0.342 H0.442 K0.013 Mg2.214 Mn0.012 Na0.594 O30.946 Si5.952 Ti0.144 V0.039 Zn0.006 -","- Al18.873 B9 Ca0.561 Cr0.018 F0.162 Fe1.026 H1.326 K0.039 Mg6.642 Mn0.036 Na1.782 O92.838 Si17.856 Ti0.432 V0.117 Zn0.018 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9840f","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005665","15.9821","","15.9821","","7.2215","","90","","90","","120","","1597.44","","","","","","","","","","","","Lake Baikal, Siberia","16","R 3 m :H","R 3 -2""","160","","","Hydroxy-schorl","- Al5.805 B3 Ca0.163 Cr0.003 F0.042 Fe1.404 H0.509 K0.005 Mg1.728 Mn0.003 Na0.731 O30.958 Si5.91 Ti0.09 V0.045 Zn0.009 -","- Al5.805 B3 Ca0.163 Cr0.003 F0.042 Fe1.404 H0.509 K0.005 Mg1.728 Mn0.003 Na0.731 O30.958 Si5.91 Ti0.09 V0.045 Zn0.009 -","- Al17.415 B9 Ca0.489 Cr0.009 F0.126 Fe4.212 H1.527 K0.015 Mg5.184 Mn0.009 Na2.193 O92.874 Si17.73 Ti0.27 V0.135 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9914b","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005666","16.0539","","16.0539","","7.3247","","90","","90","","120","","1634.86","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","15","R 3 m :H","R 3 -2""","160","","","Chromdravite","- Al2.1 B3 Ca0.073 Cr4.347 F0.381 Fe0.051 H3.009 K0.017 Mg2.244 Na0.88 O30.618 Si5.886 Ti0.003 V0.354 Zn0.021 -","- Al2.1 B3 Ca0.073 Cr4.347 F0.381 Fe0.051 H3.009 K0.017 Mg2.244 Na0.88 O30.618 Si5.886 Ti0.003 V0.354 Zn0.021 -","- Al6.3 B9 Ca0.219 Cr13.041 F1.143 Fe0.153 H9.027 K0.051 Mg6.732 Na2.64 O91.854 Si17.658 Ti0.009 V1.062 Zn0.063 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMt3b","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005667","16.0377","","16.0377","","7.3157","","90","","90","","120","","1629.56","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","14","R 3 m :H","R 3 -2""","160","","","Chromdravite","- Al2.364 B3 Ca0.068 Cr4.029 F0.332 Fe0.036 H2.982 K0.017 Mg2.322 Na0.892 O30.668 Si5.976 Ti0.03 V0.243 -","- Al2.364 B3 Ca0.068 Cr4.029 F0.332 Fe0.036 H2.982 K0.017 Mg2.322 Na0.892 O30.668 Si5.976 Ti0.03 V0.243 -","- Al7.092 B9 Ca0.204 Cr12.087 F0.996 Fe0.108 H8.946 K0.051 Mg6.966 Na2.676 O92.004 Si17.928 Ti0.09 V0.729 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMt6b","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005668","16.0299","","16.0299","","7.3056","","90","","90","","120","","1625.73","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","15","R 3 m :H","R 3 -2""","160","","","Chromdravite","- Al2.856 B3 Ca0.043 Cr3.372 F0.361 Fe0.027 H2.937 K0.027 Mg2.085 Na0.842 O30.639 Si5.868 Ti0.003 V0.783 Zn0.009 -","- Al2.856 B3 Ca0.043 Cr3.372 F0.361 Fe0.027 H2.937 K0.027 Mg2.085 Na0.842 O30.639 Si5.868 Ti0.003 V0.783 Zn0.009 -","- Al8.568 B9 Ca0.129 Cr10.116 F1.083 Fe0.081 H8.811 K0.081 Mg6.255 Na2.526 O91.917 Si17.604 Ti0.009 V2.349 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMt3c","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005669","16.0204","","16.0204","","7.2985","","90","","90","","120","","1622.22","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","15","R 3 m :H","R 3 -2""","160","","","Chromdravite","- Al2.682 B3 Ca0.097 Cr3.9 F0.393 Fe0.042 H2.82 K0.014 Mg2.208 Na0.829 O30.607 Si5.982 Ti0.03 V0.147 Zn0.012 -","- Al2.682 B3 Ca0.097 Cr3.9 F0.393 Fe0.042 H2.82 K0.014 Mg2.208 Na0.829 O30.607 Si5.982 Ti0.03 V0.147 Zn0.012 -","- Al8.046 B9 Ca0.291 Cr11.7 F1.179 Fe0.126 H8.46 K0.042 Mg6.624 Na2.487 O91.821 Si17.946 Ti0.09 V0.441 Zn0.036 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMpr79f","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005670","15.9911","","15.9911","","7.2764","","90","","90","","120","","1611.4","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","15","R 3 m :H","R 3 -2""","160","","","Dravite","- Al3.354 B3 Ca0.028 Cr3.15 F0.259 Fe0.036 H3.034 K0.022 Mg2.169 Na0.888 O30.741 Si5.988 Ti0.003 V0.279 Zn0.015 -","- Al3.354 B3 Ca0.028 Cr3.15 F0.259 Fe0.036 H3.034 K0.022 Mg2.169 Na0.888 O30.741 Si5.988 Ti0.003 V0.279 Zn0.015 -","- Al10.062 B9 Ca0.084 Cr9.45 F0.777 Fe0.108 H9.102 K0.066 Mg6.507 Na2.664 O92.223 Si17.964 Ti0.009 V0.837 Zn0.045 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TM1p43e","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005671","5.827","","12.899","","5.646","","90","","107.69","","90","","404.301","","","","","","","","","","","","Tsumeb, Namibia","6","P 1 21/c 1","-P 2ybc","14","","","Zincroselite","- As2 Ca2 H4 Mg0.14 O10 Zn0.86 -","- As2 Ca2 H4 Mg0.14 O10 Zn0.86 -","- As4 Ca4 H8 Mg0.28 O20 Zn1.72 -","2","0.5","","Keller, P.; Lissner, F.; Schleid, T.","The crystal structures of zincroselite and gaitite: Two natural polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia","European Journal of Mineralogy","2004","16","","353","359","10.1127/0935-1221/2004/0016-0353","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005672","5.899","","6.978","","5.575","","97.41","","109.08","","108.09","","199.258","","","","","","","","","","","","Tsumeb, Namibia","6","P -1","-P 1","2","","","Gaitite","- As2 Ca2 H4 Mg0.42 O10 Zn0.58 -","- As2 Ca2 H4 Mg0.42 O10 Zn0.58 -","- As2 Ca2 H4 Mg0.42 O10 Zn0.58 -","1","0.5","","Keller, P.; Lissner, F.; Schleid, T.","The crystal structures of zincroselite and gaitite: Two natural polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia Note: c cell edge corrected by authors","European Journal of Mineralogy","2004","16","","353","359","10.1127/0935-1221/2004/0016-0353","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005673","9.455","","5.866","","8.668","","90","","90","","90","","480.754","","","","","","","","","","","","Tachgagalt mine, Morocco","4","P n m a","-P 2ac 2n","62","","","Jacquesdietrichite","- B Cu2 H5 O6 -","- B Cu2 H5 O6 -","- B4 Cu8 H20 O24 -","4","0.5","","Kampf, A. R.; Favreau, G.","Jacquesdietrichite, Cu2[BO(OH)2](OH)3, a new mineral from the Tachgagalt mine, Morocco: Description and crystal structure","European Journal of Mineralogy","2004","16","","361","366","10.1127/0935-1221/2004/0016-0361","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005674","6.981","","7.646","","17.249","","90","","90","","90.039","","920.695","","","","","","","","","","","","Repete mine, San Juan County, Utah, USA","6","P 1 1 m","P -2","6","","","Larisaite","- H22 K0.15 Na1.2 O38 Se4 U6 -","- H22 K0.15 Na1.2 O38 Se4 U6 -","- H22 K0.15 Na1.2 O38 Se4 U6 -","1","0.5","","Chukanov, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Barinova, A. V.; Mockel, S.; Pekov, I. V.; Zadov, A. E.; Dubinchuk, V. T.","Larisaite, Na(H3O)(UO2)3(SeO3)2O2*4H2O, a new uranyl selenite mineral from Repete mine, San Juan County, Utah, U.S.A.","European Journal of Mineralogy","2004","16","","367","374","10.1127/0935-1221/2004/0016-0367","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005675","10.05","","10.05","","14.338","","90","","90","","120","","1254.16","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Trattnerite","- Fe2.44 K0.05 Mg2.56 O30 Si12 -","- Fe2.44 K0.05 Mg2.56 O30 Si12 -","- Fe4.88 K0.1 Mg5.12 O60 Si24 -","2","0.0833333","","Postl, W.; Walter, F.; Ettinger, K.; Hauzenberger, C.; Bojar, H. P.","Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group: mineral data and crystal structure Sample: tr1 Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3","European Journal of Mineralogy","2004","16","","375","380","10.1127/0935-1221/2004/0016-0375","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005676","10.065","","10.065","","14.341","","90","","90","","120","","1258.17","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Trattnerite","- Fe2.47 K0.12 Mg2.53 O30 Si12 -","- Fe2.47 K0.12 Mg2.53 O30 Si12 -","- Fe4.94 K0.24 Mg5.06 O60 Si24 -","2","0.0833333","","Postl, W.; Walter, F.; Ettinger, K.; Hauzenberger, C.; Bojar, H. P.","Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group: mineral data and crystal structure Sample: tr2 Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3","European Journal of Mineralogy","2004","16","","375","380","10.1127/0935-1221/2004/0016-0375","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005677","9.748","","8.926","","5.264","","90","","105.89","","90","","440.523","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.018 Ca0.916 Mg0.926 Na0.066 O6 Si1.96 Ti0.086 -","- B0.018 Ca0.916 Mg0.926 Na0.066 O6 Si1.96 Ti0.086 -","- B0.072 Ca3.664 Mg3.704 Na0.264 O24 Si7.84 Ti0.344 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di64","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005678","9.756","","8.929","","5.269","","90","","106.06","","90","","441.076","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.022 Ca0.82 Mg0.846 Na0.168 O6 Si1.882 Ti0.272 -","- B0.022 Ca0.82 Mg0.846 Na0.168 O6 Si1.882 Ti0.272 -","- B0.088 Ca3.28 Mg3.384 Na0.672 O24 Si7.528 Ti1.088 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di80","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005679","9.747","","8.922","","5.278","","90","","106.1","","90","","440.987","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.028 Ca0.872 Mg0.906 Na0.118 O6 Si1.94 Ti0.138 -","- B0.028 Ca0.872 Mg0.906 Na0.118 O6 Si1.94 Ti0.138 -","- B0.112 Ca3.488 Mg3.624 Na0.472 O24 Si7.76 Ti0.552 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di81a","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005680","9.748","","8.926","","5.281","","90","","106.09","","90","","441.503","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.044 Ca0.784 Mg0.85 Na0.19 O6 Si1.892 Ti0.254 -","- B0.044 Ca0.784 Mg0.85 Na0.19 O6 Si1.892 Ti0.254 -","- B0.176 Ca3.136 Mg3.4 Na0.76 O24 Si7.568 Ti1.016 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di72","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005681","9.765","","8.929","","5.284","","90","","106.19","","90","","442.45","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.024 Ca0.836 Mg0.892 Na0.14 O6 Si1.888 Ti0.206 -","- B0.024 Ca0.836 Mg0.892 Na0.14 O6 Si1.888 Ti0.206 -","- B0.096 Ca3.344 Mg3.568 Na0.56 O24 Si7.552 Ti0.824 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di73","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005682","9.765","","8.929","","5.284","","90","","106.19","","90","","442.45","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.024 Ca0.844 Mg0.922 Na0.128 O6 Si1.888 Ti0.188 -","- B0.024 Ca0.844 Mg0.922 Na0.128 O6 Si1.888 Ti0.188 -","- B0.096 Ca3.376 Mg3.688 Na0.512 O24 Si7.552 Ti0.752 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di73*","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005683","13.337","","17.879","","5.264","","90","","105.27","","90","","1210.9","","","","","","","","","","","","Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico","8","C 1 2/m 1","-C 2y","12","","","Palygorskite (deuterated)","- Al0.82 D5 Fe0.12 H1.8 K0.02 Mg1.08 O15.5 Si3.96 -","- Al0.82 D5 Fe0.12 H5 K0.02 Mg1.08 O15.5 Si3.96 -","- Al3.28 D20 Fe0.48 H20 K0.08 Mg4.32 O62 Si15.84 -","4","0.5","","Guistetto, R.; Chiari, G.","Crystal structure refinement of palygorskite from neutron powder diffraction Mexico Note: Occupancies created to match reported formula","European Journal of Mineralogy","2004","16","","521","532","10.1127/0935-1221/2004/0016-0521","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005684","12.672","","17.875","","5.236","","90","","90","","90","","1186.02","","","","","","","","","","","","Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico","8","P b m n","-P 2ab 2ab","53","","","Palygorskite (deuterated)","- Al0.82 D5.02 Fe0.12 H1.8 K0.02 Mg1.08 O15.5 Si3.96 -","- Al0.82 D5.02 Fe0.12 H5 K0.02 Mg1.08 O15.5 Si3.96 -","- Al3.28 D20.08 Fe0.48 H20 K0.08 Mg4.32 O62 Si15.84 -","4","0.5","","Guistetto, R.; Chiari, G.","Crystal structure refinement of palygorskite from neutron powder diffraction Mexico Note: Occupancies created to match reported formula","European Journal of Mineralogy","2004","16","","521","532","10.1127/0935-1221/2004/0016-0521","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005685","8.772","","13.37","","14.69","","90","","115.944","","90","","1549.24","","","","","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","Filatovite","- Al1.9 As1.1 K0.9 Na0.1 O8 Si0.9 Zn0.1 -","- Al1.9 As1.1 K0.9 Na0.1 O8 Si0.9 Zn0.1 -","- Al15.2 As8.8 K7.2 Na0.8 O64 Si7.2 Zn0.8 -","8","1","","Filatov, S. K.; Krivovichev, S. V.; Burns, P. C.; Vergasova, L. P.","Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8], the first arsenate of the feldspar group","European Journal of Mineralogy","2004","16","","537","543","10.1127/0935-1221/2004/0016-0537","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005686","18.971","","19.204","","6.5952","","90","","91.601","","90","","2401.82","","","","","","","","","","","","","6","F 1 d 1","","","","","Paranatrolite","- Al2.25 H6.04 K0.229 Na1.95 O13.021 Si2.75 -","- Al2.25 H6.04 K0.229 Na1.95 O13.021 Si2.75 -","- Al18 H48.32 K1.832 Na15.6 O104.168 Si22 -","8","","","Seryotkin, Y. V.; Bakakin, V. V.; Belitsky, I. A.","The crystal structure of paranatrolite","European Journal of Mineralogy","2004","16","","545","550","10.1127/0935-1221/2004/0016-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005687","15.9158","","15.9158","","7.1201","","90","","90","","120","","1561.97","","","","","","","","","","","","Eibenstein an der Thaya, Bohemian massif, Lower Austria","13","R 3 m :H","R 3 -2""","160","","","Olenite","- Al7.68 B3 Ca0.03 F0.54 Fe0.06 H3.37 K0.01 Li0.54 Mn0.93 Na0.84 O30.46 Si5.76 Ti0.03 -","- Al7.68 B3 Ca0.03 F0.54 Fe0.06 H3.37 K0.01 Li0.54 Mn0.93 Na0.84 O30.46 Si5.76 Ti0.03 -","- Al23.04 B9 Ca0.09 F1.62 Fe0.18 H10.11 K0.03 Li1.62 Mn2.79 Na2.52 O91.38 Si17.28 Ti0.09 -","3","0.166667","","Ertl, A.; Schuster, R.; Prowatke, S.; Brandstatter, F.; Ludwig, T.; Bernhardt, H. J.; Koller, F.; Hughes, J. M.","Mn-rich tourmaline and fluorapatite in a Variscan pegmatite from Eibenstein an der Thaya, Bohemian massif, Lower Austria","European Journal of Mineralogy","2004","16","","551","560","10.1127/0935-1221/2004/0016-0551","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9005688","10.037","","10.037","","23.739","","90","","90","","90","","2391.5","","","","","","","","","","","","","7","I 4/m m m","-I 4 2","139","","","Mahnertite","- As8 Ca0.48 Cl2.5 Cu11 H82 Na3.52 O46.5 -","- As8 Ca0.48 Cl2.5 Cu11 H29 Na3.52 O46.5 -","- As16 Ca0.96 Cl5 Cu22 H58 Na7.04 O93 -","2","0.0625","","Pushcharovsky, D. Y.; Zubkova, N. V.; Teat, S. J.; Maclean, E. J.; Sarp, H.","Crystal structure of mahnertite","European Journal of Mineralogy","2004","16","","687","692","10.1127/0935-1221/2004/0016-0687","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005689","15.9443","","15.9443","","7.2094","","90","","90","","120","","1587.23","","","","","","","","","","","","Syros, Greece","11","R 3 m :H","R 3 -2""","160","","","Dravite","- Al5.91 B3.18 Ca0.02 F0.07 Fe0.63 H3.93 Mg2.37 Na0.96 O30.93 Si5.82 Ti0.06 -","- Al5.91 B3.18 Ca0.02 F0.07 Fe0.63 H3.93 Mg2.37 Na0.96 O30.93 Si5.82 Ti0.06 -","- Al17.73 B9.54 Ca0.06 F0.21 Fe1.89 H11.79 Mg7.11 Na2.88 O92.79 Si17.46 Ti0.18 -","3","0.166667","","Marschall, H. R.; Ertl, A.; Hughes, J. M.; McCammon, C. A.","Metamorphic Na- and OH-rich disordered dravite with tetrahedral boron, associated with omphacite, from Syros, Greece: chemistry and structure Sample: SY309B","European Journal of Mineralogy","2004","16","","817","823","10.1127/0935-1221/2004/0016-0817","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005690","14.58","","8.024","","9.8486","","90","","111.801","","90","","1069.78","","","","","","","","","","","","Kopaonik Mt, central Serbia","4","P 1 21/a 1","-P 2yab","14","","","Nobleite","- B6 Ca H8 O14 -","- B6 Ca H8 O14 -","- B24 Ca4 H32 O56 -","4","1","","Karanovic, L.; Rosic, A.; Poleti, D.","Crystal structure of nobleite, Ca[B6O9(OH)2]*3H2O, from Jarandol (Serbia) Note: Ca analogue of tunellite","European Journal of Mineralogy","2004","16","","825","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005691","55.824","","4.0892","","24.128","","90","","113.14","","90","","5064.71","","","","","","","","","","","","Tuscany, Italy","7","C 1 2/m 1","-C 2y","12","","","Pellouxite","- Ag0.26 Cl0.5 Cu0.68 O0.5 Pb10.44 S27.5 Sb11.56 -","- Ag0.26 Cl0.5 Cu0.68 O0.5 Pb10.44 S27.5 Sb11.56 -","- Ag1.04 Cl2 Cu2.72 O2 Pb41.76 S110 Sb46.24 -","4","0.5","","Palvadeau, P.; Meerschaut, A.; Orlandi, P.; Moelo, Y.","Lead-antimony sulfosalts from Tuscany (Italy). VII. Crystal structure of pellouxite, ~ (Cu,Ag)2Pb21Sb23S55ClO, an expanded monoclinic derivative of Ba12Bi24S48 hexagonal sub-type (zinkenite group)","European Journal of Mineralogy","2004","16","","845","855","10.1127/0935-1221/2004/0016-0845","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005692","10.919","","10.485","","7.485","","90","","109.55","","90","","807.524","","","","","","","","","","","","Pian di Celle, Umbria, Italy","6","P 1 21/a 1","-P 2yab","14","","","Cuspidine","- Ca3.69 F2 Na0.17 O7 Si2 Zr0.14 -","- Ca3.69 F2 Na0.17 O7 Si2 Zr0.14 -","- Ca14.76 F8 Na0.68 O28 Si8 Zr0.56 -","4","1","","Bellezza, M.; Merlino, S.; Perchiazzi, N.","Chemical and structural study of the Zr,Ti-disilicates in the venanzite from Pian di Celle, Umbria, Italy","European Journal of Mineralogy","2004","16","","957","969","10.1127/0935-1221/2004/0016-0957","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005693","9.636","","7.341","","5.737","","89.94","","100.74","","101.06","","391.055","","","","","","","","","","","","Pian di Celle, Umbria, Italy","7","P -1","-P 1","2","","","Gotzenite","- Ca5.66 F4 Na1.06 O14 Si4 Ti0.98 Zr0.28 -","- Ca5.66 F4 Na1.06 O14 Si4 Ti0.98 Zr0.28 -","- Ca5.66 F4 Na1.06 O14 Si4 Ti0.98 Zr0.28 -","1","0.5","","Bellezza, M.; Merlino, S.; Perchiazzi, N.","Chemical and structural study of the Zr,Ti-disilicates in the venanzite from Pian di Celle, Umbria, Italy","European Journal of Mineralogy","2004","16","","957","969","10.1127/0935-1221/2004/0016-0957","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005694","5.608","","7.139","","18.575","","90","","102.6","","90","","725.75","","","","","","","","","","","","Langesundsfjord district, Norway","8","P 1 2/c 1","-P 2yc","13","","","Grenmarite","- Ca0.38 F2 Mn1.3 Na3.56 O16 Si4 Ti0.46 Zr2.3 -","- Ca0.38 F2 Mn1.3 Na3.56 O16 Si4 Ti0.46 Zr2.3 -","- Ca0.76 F4 Mn2.6 Na7.12 O32 Si8 Ti0.92 Zr4.6 -","2","0.5","","Bellezza, M.; Franzini, M.; Larsen, A. O.; Merlino, S.; Perchiazzi, N.","Grenmarite, a new member of the gotzenite-seidozerite-rosenbuschite group from the Langesundsfjord district, Norway: definition and crystal structure","European Journal of Mineralogy","2004","16","","971","978","10.1127/0935-1221/2004/0016-0971","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005695","14.563","","13.961","","7.851","","90","","117.62","","90","","1414.32","","","","","","","","","","","","Gjerdingselva, Lunner, Oppland, Oslo Region, Norway","7","C 1 2/m 1","-C 2y","12","","","Gjerdingenite-Mn","- H16 K1.44 Mn1.013 Nb2.508 O34.56 Si8 Ti1.492 -","- H17.12 K1.44 Mn1.013 Nb2.508 O34.56 Si8 Ti1.492 -","- H34.24 K2.88 Mn2.026 Nb5.016 O69.12 Si16 Ti2.984 -","2","0.25","","Raade, G.; Chukanov, N. V.; Kolitsch, U.; Mockel, S.; Zadov, A. E.; Pekov, I. V.","Gjerdingenite-Mn from Norway - a new mineral species in the labuntsovite group: descriptive data and crystal structure","European Journal of Mineralogy","2004","16","","979","987","10.1127/0935-1221/2004/0016-0979","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005696","8.9232","","8.9232","","9.9296","","90","","90","","120","","684.705","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","Parascorodite","- As Fe H4 O6 -","- As Fe H4 O6 -","- As6 Fe6 H24 O36 -","6","0.5","","Perchiazzi, N.; Ondrus, P.; Skala, R.","Ab initio X-ray powder structure determination of parascorodite, Fe(H2O)2AsO4","European Journal of Mineralogy","2004","16","","1003","1007","10.1127/0935-1221/2004/0016-1003","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007270","8.2796","","8.2796","","8.2796","","90","","90","","90","","567.581","","","","296.15","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Al0.79 Fe1.21 Mg O4 -","- Al0.79 Fe1.21 Mg O4 -","- Al6.32 Fe9.68 Mg8 O32 -","8","0.0416667","","Nakatsuka, A.; Ueno, H.; Nakayama, N.; Mizota, T.; Maekawa, H.","Single-crystal X-ray diffraction study of cation distribution in MgAl2O4-MgFe2O4 spinel solid solution Sample: T = 23 C, x = 1.21","Physics and Chemistry of Minerals","2004","31","","278","287","10.1007/s00269-004-0385-z","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007271","8.3252","","8.3252","","8.3252","","90","","90","","90","","577.011","","","","296.15","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Al0.47 Fe1.52 Mg O4 -","- Al0.47 Fe1.52 Mg O4 -","- Al3.76 Fe12.16 Mg8 O32 -","8","0.0416667","","Nakatsuka, A.; Ueno, H.; Nakayama, N.; Mizota, T.; Maekawa, H.","Single-crystal X-ray diffraction study of cation distribution in MgAl2O4-MgFe2O4 spinel solid solution Sample: T = 23 C, x = 1.53","Physics and Chemistry of Minerals","2004","31","","278","287","10.1007/s00269-004-0385-z","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007272","8.3422","","8.3422","","8.3422","","90","","90","","90","","580.553","","","","296.15","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Al0.22 Fe1.77 Mg1.01 O4 -","- Al0.22 Fe1.77 Mg1.01 O4 -","- Al1.76 Fe14.16 Mg8.08 O32 -","8","0.0416667","","Nakatsuka, A.; Ueno, H.; Nakayama, N.; Mizota, T.; Maekawa, H.","Single-crystal X-ray diffraction study of cation distribution in MgAl2O4-MgFe2O4 spinel solid solution Sample: T = 23 C, x = 1.77","Physics and Chemistry of Minerals","2004","31","","278","287","10.1007/s00269-004-0385-z","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007273","8.36","","8.36","","8.36","","90","","90","","90","","584.277","","","","296.15","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe16 Mg8 O32 -","8","0.0416667","","Nakatsuka, A.; Ueno, H.; Nakayama, N.; Mizota, T.; Maekawa, H.","Single-crystal X-ray diffraction study of cation distribution in MgAl2O4-MgFe2O4 spinel solid solution Sample: T = 23 C, x = 2.00","Physics and Chemistry of Minerals","2004","31","","278","287","10.1007/s00269-004-0385-z","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007274","4.6975","","4.206","","2.8327","","90","","90","","90","","55.968","","","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","","delta-AlOOH","- Al0.84 H Mg0.07 O2 Si0.09 -","- Al0.84 H Mg0.07 O2 Si0.09 -","- Al1.68 H2 Mg0.14 O4 Si0.18 -","2","0.5","","Kudoh, Y.; Kuribayashi, T.; Suzuki, A.; Ohtani, E.; Kamada, T.","Space group and hydrogen sites of delta-AlOOH and implications for a hypothetical high-pressure form of Mg(OH)2","Physics and Chemistry of Minerals","2004","31","","360","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007275","9.466","","17.97","","5.288","","90","","101.84","","90","","880.372","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Ferri-clinoholmquistite","- Fe2.09 H2 Li1.46 Mg3.65 O24 Si8 -","- Fe2.09 H2 Li1.46 Mg3.65 O24 Si8 -","- Fe4.18 H4 Li2.92 Mg7.3 O48 Si16 -","2","0.25","","Iezzi, G.; Camara, F.; Della Ventura, G.; Oberti, R.; Pedrazzi, G.; Robert, J.-L.","Synthesis, crystal structure and crystal chemistry of ferri-clinoholmquistite, _Li2Mg3Fe3+2Si8O22(OH)2 Sample: 152","Physics and Chemistry of Minerals","2004","31","","375","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007276","14.7514","","13.0827","","7.5648","","90","","111.997","","90","","1353.64","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al2 Ca H10 O15.02 Si4 -","- Al2 Ca H6.04 O15.02 Si4 -","- Al8 Ca4 H24.16 O60.08 Si16 -","4","0.5","","Lee, Y.; Hriljac, J. A.; Vogt, T.","Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = ambient","Physics and Chemistry of Minerals","2004","31","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007277","14.8831","","13.182","","7.5387","","90","","110.181","","90","","1388.21","","","","","","","","200000","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al4 Ca2 H22 O33 Si8 -","- Al4 Ca2 H18 O33 Si8 -","- Al8 Ca4 H36 O66 Si16 -","2","0.25","","Lee, Y.; Hriljac, J. A.; Vogt, T.","Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.2 GPa","Physics and Chemistry of Minerals","2004","31","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007278","14.8913","","13.1661","","7.5284","","90","","110.008","","90","","1386.94","","","","","","","","300000","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al4 Ca2 H22 O33 Si8 -","- Al4 Ca2 H18 O33 Si8 -","- Al8 Ca4 H36 O66 Si16 -","2","0.25","","Lee, Y.; Hriljac, J. A.; Vogt, T.","Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.3 GPa","Physics and Chemistry of Minerals","2004","31","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007279","14.8795","","13.1442","","7.5078","","90","","109.92","","90","","1380.52","","","","","","","","600000","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al4 Ca2 H18 O33 Si8 -","- Al4 Ca2 H18 O33 Si8 -","- Al8 Ca4 H36 O66 Si16 -","2","0.25","","Lee, Y.; Hriljac, J. A.; Vogt, T.","Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 0.6 GPa","Physics and Chemistry of Minerals","2004","31","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007280","14.8486","","13.1211","","7.4774","","90","","110.001","","90","","1368.96","","","","","","","","1100000","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al4 Ca2 H18 O33 Si8 -","- Al4 Ca2 H18 O33 Si8 -","- Al8 Ca4 H36 O66 Si16 -","2","0.25","","Lee, Y.; Hriljac, J. A.; Vogt, T.","Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.1 GPa","Physics and Chemistry of Minerals","2004","31","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007281","14.7934","","13.0979","","7.442","","90","","110.166","","90","","1353.58","","","","","","","","1700000","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al4 Ca2 H18 O33 Si8 -","- Al4 Ca2 H18 O33 Si8 -","- Al8 Ca4 H36 O66 Si16 -","2","0.25","","Lee, Y.; Hriljac, J. A.; Vogt, T.","Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.7 GPa","Physics and Chemistry of Minerals","2004","31","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007282","14.7204","","13.1084","","7.408","","90","","110.512","","90","","1338.82","","","","","","","","2400000","","","","","5","C 1 2/m 1","-C 2y","12","","","Laumontite","- Al2 Ca H12 O16.5 Si4 -","- Al2 Ca H9 O16.5 Si4 -","- Al8 Ca4 H36 O66 Si16 -","4","0.5","","Lee, Y.; Hriljac, J. A.; Vogt, T.","Pressure-induced migration of zeolitic water in laumontite Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 2.4 GPa","Physics and Chemistry of Minerals","2004","31","","421","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9007283","12.048","","12.623","","6.511","","90","","114.58","","90","","900.474","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Fe Mn1.911 Na1.896 O12 P3 -","- Fe Mn1.911 Na1.896 O12 P3 -","- Fe4 Mn7.644 Na7.584 O48 P12 -","4","0.5","","Hatert, F.; Long, G. J.; Hautot, D.; Fransolet, A.-M.; Delwiche, J.; Hubin-Franskin M J; Grandjean, F.","A structural, magnetic, and Mossbauer spectral study of several Na-Mn-Fe-bearing alluaudites Sample: #1, synthetic","Physics and Chemistry of Minerals","2004","31","","487","506","10.1007/s00269-004-0400-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007284","7.3559","","7.3559","","17.0186","","90","","90","","120","","797.491","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","Hydronium jarosite","- Fe2.919 H6 O14.905 S2 -","- Fe2.919 H6 O14.905 S2 -","- Fe8.757 H18 O44.715 S6 -","3","0.0833333","","Majzlan J; Stevens R; Boerio-Goates J; Woodfield B F; Navrotsky A; Burns P C; Crawford M K; Amos T G","Thermodynamic properties, low-temperature heat-capacity anomalies, and single-crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6 Note: Single-crystal X-ray diffraction refinement","Physics and Chemistry of Minerals","2004","31","","518","531","10.1007/s00269-004-0405-z","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9007285","7.3499","","7.3499","","17.0104","","90","","90","","120","","795.807","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","Hydronium jarosite","- Fe3 H9 O15 S2 -","- Fe3 O15 S2 -","- Fe9 O45 S6 -","3","0.0833333","","Majzlan J; Stevens R; Boerio-Goates J; Woodfield B F; Navrotsky A; Burns P C; Crawford M K; Amos T G","Thermodynamic properties, low-temperature heat-capacity anomalies, and single-crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6 Note: Rietveld refinement of synchrotron X-ray diffraction pattern","Physics and Chemistry of Minerals","2004","31","","518","531","10.1007/s00269-004-0405-z","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9007286","5.0492","","5.0492","","17.343","","90","","90","","120","","382.913","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Prencipe, M.; Pascale, F.; Zicovich-Wilson C M; Saunders, V. R.; Orlando, R.; Dovesi, R.","The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation Note: Theoretically derived structure","Physics and Chemistry of Minerals","2004","31","","559","564","10.1007/s00269-004-0418-7","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007287","5.79903","","15.1254","","6.18398","","90","","116.429","","90","","485.724","","","","4.2","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 4.2 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007288","5.799","","15.1255","","6.1839","","90","","116.428","","90","","485.722","","","","10","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 10 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007289","5.7991","","15.1251","","6.184","","90","","116.429","","90","","485.722","","","","20","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Note: Obvious typo in the x-coordinate of D2 corrected Sample: T = 20 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007290","5.799","","15.1255","","6.1839","","90","","116.427","","90","","485.727","","","","30","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 30 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007291","5.7991","","15.1253","","6.1842","","90","","116.428","","90","","485.748","","","","40","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 40 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007292","5.7992","","15.1256","","6.1844","","90","","116.426","","90","","485.79","","","","50","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 50 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007293","5.7994","","15.125","","6.185","","90","","116.426","","90","","485.835","","","","60","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 60 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007294","5.7997","","15.1257","","6.1857","","90","","116.425","","90","","485.942","","","","70","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 70 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007295","5.8","","15.1256","","6.1866","","90","","116.422","","90","","486.047","","","","80","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 80 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007296","5.8003","","15.1259","","6.1873","","90","","116.422","","90","","486.137","","","","90","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 90 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007297","5.8007","","15.1267","","6.1887","","90","","116.419","","90","","486.318","","","","100","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 100 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007298","5.8016","","15.1284","","6.1916","","90","","116.418","","90","","486.681","","","","125","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 125 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007299","5.8026","","15.1314","","6.1956","","90","","116.416","","90","","487.184","","","","150","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 150 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007300","5.804","","15.1361","","6.2006","","90","","116.414","","90","","487.855","","","","175","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 175 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007301","5.8053","","15.142","","6.206","","90","","116.413","","90","","488.584","","","","200","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 200 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007302","5.8062","","15.1482","","6.2118","","90","","116.41","","90","","489.329","","","","225","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 225 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007303","5.8077","","15.1563","","6.2186","","90","","116.408","","90","","490.262","","","","250","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 250 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007304","5.8091","","15.1656","","6.2259","","90","","116.407","","90","","491.261","","","","275","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 275 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007305","5.8105","","15.1758","","6.2337","","90","","116.405","","90","","492.335","","","","300","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 300 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007306","5.8119","","15.1867","","6.2416","","90","","116.405","","90","","493.432","","","","325","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 325 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007307","5.8132","","15.1973","","6.2497","","90","","116.406","","90","","494.523","","","","350","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 350 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007308","5.8145","","15.2086","","6.258","","90","","116.408","","90","","495.65","","","","375","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 375 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007309","5.8151","","15.2179","","6.2664","","90","","116.413","","90","","496.649","","","","400","","","","","","","","","4","I 1 a 1","I -2ya","9","","","Brushite (deuterated)","- Ca D5 O6 P -","- Ca D5 O6 P -","- Ca4 D20 O24 P4 -","4","1","","Schofield, P. F.; Knight, K. S.; van der Houwen, J. A. M.; Valsami-Jones E","The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 400 K","Physics and Chemistry of Minerals","2004","31","","606","624","10.1007/s00269-004-0419-6","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007310","8.3329","","8.3329","","8.3329","","90","","90","","90","","578.613","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr16 Mg8 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: MgCr5","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007311","8.3328","","8.3328","","8.3328","","90","","90","","90","","578.593","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr16 Mg8 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: MgCr9A","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007312","8.334","","8.334","","8.334","","90","","90","","90","","578.843","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr1.992 Fe0.024 Mg0.984 O4 -","- Cr1.992 Fe0.024 Mg0.984 O4 -","- Cr15.936 Fe0.192 Mg7.872 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-20","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007313","8.3352","","8.3352","","8.3352","","90","","90","","90","","579.093","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr1.996 Fe0.072 Mg0.932 O4 -","- Cr1.996 Fe0.072 Mg0.932 O4 -","- Cr15.968 Fe0.576 Mg7.456 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-10","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007314","8.3379","","8.3379","","8.3379","","90","","90","","90","","579.656","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr2 Fe0.13 Mg0.87 O4 -","- Cr2 Fe0.13 Mg0.87 O4 -","- Cr16 Fe1.04 Mg6.96 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-10B","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007315","8.3415","","8.3415","","8.3415","","90","","90","","90","","580.407","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr2 Fe0.2 Mg0.8 O4 -","- Cr2 Fe0.2 Mg0.8 O4 -","- Cr16 Fe1.6 Mg6.4 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-30","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007316","8.3462","","8.3462","","8.3462","","90","","90","","90","","581.388","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr2 Fe0.32 Mg0.68 O4 -","- Cr2 Fe0.32 Mg0.68 O4 -","- Cr16 Fe2.56 Mg5.44 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-50","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007317","8.349","","8.349","","8.349","","90","","90","","90","","581.974","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr2 Fe0.33 Mg0.67 O4 -","- Cr2 Fe0.33 Mg0.67 O4 -","- Cr16 Fe2.64 Mg5.36 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-40","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007318","8.3465","","8.3465","","8.3465","","90","","90","","90","","581.451","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr2 Fe0.37 Mg0.63 O4 -","- Cr2 Fe0.37 Mg0.63 O4 -","- Cr16 Fe2.96 Mg5.04 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-20B","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007319","8.3577","","8.3577","","8.3577","","90","","90","","90","","583.795","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Cr2 Fe0.6 Mg0.4 O4 -","- Cr2 Fe0.6 Mg0.4 O4 -","- Cr16 Fe4.8 Mg3.2 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-45","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007320","8.362","","8.362","","8.362","","90","","90","","90","","584.696","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Cr2 Fe0.65 Mg0.35 O4 -","- Cr2 Fe0.65 Mg0.35 O4 -","- Cr16 Fe5.2 Mg2.8 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-60","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007321","8.3613","","8.3613","","8.3613","","90","","90","","90","","584.55","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Cr2 Fe0.67 Mg0.33 O4 -","- Cr2 Fe0.67 Mg0.33 O4 -","- Cr16 Fe5.36 Mg2.64 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-55","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007322","8.3672","","8.3672","","8.3672","","90","","90","","90","","585.788","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Cr2 Fe0.76 Mg0.24 O4 -","- Cr2 Fe0.76 Mg0.24 O4 -","- Cr16 Fe6.08 Mg1.92 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-70","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007323","8.371","","8.371","","8.371","","90","","90","","90","","586.586","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Cr2 Fe0.87 Mg0.13 O4 -","- Cr2 Fe0.87 Mg0.13 O4 -","- Cr16 Fe6.96 Mg1.04 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-80","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007324","8.3739","","8.3739","","8.3739","","90","","90","","90","","587.196","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Cr2 Fe0.91 Mg0.09 O4 -","- Cr2 Fe0.91 Mg0.09 O4 -","- Cr16 Fe7.28 Mg0.72 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-90","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007325","8.3765","","8.3765","","8.3765","","90","","90","","90","","587.743","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Chromite","- Cr2 Fe O4 -","- Cr2 Fe O4 -","- Cr16 Fe8 O32 -","8","0.0416667","","Lenaz, D.; Skogby, H.; Princivalle, F.; Halenius, U.","Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series Sample: Fe2-","Physics and Chemistry of Minerals","2004","31","","633","642","10.1007/s00269-004-0420-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007326","8.79182","","13.11084","","7.20473","","90","","116.097","","90","","745.809","","","","11","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Buddingtonite (deuterated)","- Al D4 N O8 Si3 -","- Al D4 N O8 Si3 -","- Al4 D16 N4 O32 Si12 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Swainson, I.; Harlov, D. E.","Low-temperature behaviour of ammonium ion in buddingtonite [N(D/H)4AlSi3O8] from neutron powder diffraction Sample: T = 11 K","Physics and Chemistry of Minerals","2004","31","","643","649","10.1007/s00269-004-0425-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007327","8.81611","","13.09609","","7.20155","","90","","116.121","","90","","746.546","","","","210","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Buddingtonite (deuterated)","- Al D4 N O8 Si3 -","- Al D4 N O8 Si3 -","- Al4 D16 N4 O32 Si12 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Swainson, I.; Harlov, D. E.","Low-temperature behaviour of ammonium ion in buddingtonite [N(D/H)4AlSi3O8] from neutron powder diffraction Sample: T = 210 K","Physics and Chemistry of Minerals","2004","31","","643","649","10.1007/s00269-004-0425-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007328","8.83157","","13.08541","","7.20024","","90","","116.147","","90","","746.943","","","","280","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Buddingtonite (deuterated)","- Al D4 N O8 Si3 -","- Al D4 N O8 Si3 -","- Al4 D16 N4 O32 Si12 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Swainson, I.; Harlov, D. E.","Low-temperature behaviour of ammonium ion in buddingtonite [N(D/H)4AlSi3O8] from neutron powder diffraction Sample: T = 280 K","Physics and Chemistry of Minerals","2004","31","","643","649","10.1007/s00269-004-0425-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007959","9.6673","","11.9122","","5.8846","","90","","90","","90","","677.664","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Na3 O S3 V -","- Na3 O S3 V -","- Na12 O4 S12 V4 -","4","0.5","","Huang, F. Q.; Ibers, J. A.","Na3VOS3","Acta Crystallographica, Section E","2004","60","","i6","i7","10.1107/S1600536803028939","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007960","9.6254","","7.0218","","12.3761","","90","","90","","90","","836.471","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Rb2 S4 W -","- Rb2 S4 W -","- Rb8 S16 W4 -","4","0.5","","Yao, J.; Ibers, J. A.","Dirubidium tetrathiotungstate, Rb2[WS4]","Acta Crystallographica, Section E","2004","60","","i10","i11","10.1107/S1600536804000169","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007962","6.809","","6.809","","10.376","","90","","90","","120","","416.608","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","","","- Ca K O9 P3 -","- Ca K O9 P3 -","- Ca2 K2 O18 P6 -","2","0.166667","","Sandstrom, M.; Bostrom, D.","Calcium potassium cyclo-triphosphate","Acta Crystallographica, Section E","2004","60","","i15","i17","10.1107/S1600536804000303","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007965","7.218","","9.254","","8.864","","90","","99.377","","90","","584.163","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs La O12 P4 -","- Cs La O12 P4 -","- Cs2 La2 O24 P8 -","2","1","","Sun, T.; Shen, G.; Wang, X.; Wang, R.; Wei, J.; Shen, D.","CsLa(PO3)4","Acta Crystallographica, Section E","2004","60","","i28","i30","10.1107/S160053680400131X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007966","6.2908","","12.4043","","9.2181","","90","","106.146","","90","","690.943","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 Cu H16 O16 -","- Cl2 Cu H16 O16 -","- Cl4 Cu2 H32 O32 -","2","0.5","","Li, X. H.; Xia, F. Y.; Xiao, H. P.; Hu, M. L.","Hexaaquacopper(II) diperchlorate dihydrate","Acta Crystallographica, Section E","2004","60","","i31","i32","10.1107/S1600536804002168","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007972","8.3723","","4.7404","","9.799","","90","","90","","90","","388.903","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br Eu I -","- Br Eu I -","- Br4 Eu4 I4 -","4","0.5","","Liao, W.; Liu, X.; Dronskowski, R.","Europium(II) bromide iodide","Acta Crystallographica, Section E","2004","60","","i69","i71","10.1107/S160053680401075X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007976","12.2491","","12.2491","","12.2491","","90","","90","","90","","1837.86","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Cr H28 N O20 S2 -","- Cr H28 N O20 S2 -","- Cr4 H112 N4 O80 S8 -","4","0.166667","","Rempfer, N.; Lerner, H. W.; Bolte, M.","The ammonium chromium(III) alum NH4Cr(SO4)2*12H2O","Acta Crystallographica, Section E","2004","60","","i80","i81","10.1107/S1600536804011900","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9007978","16.194","","7.024","","9.498","","90","","125.91","","90","","875.031","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Li O12 P4 Yb -","- Li O12 P4 Yb -","- Li4 O48 P16 Yb4 -","4","0.5","","Zarkouna, E. B.; Driss, A.","LiYb(PO3)4","Acta Crystallographica, Section E","2004","60","","i102","i104","10.1107/S1600536804017283","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008440","9.474","","8.39","","5.219","","90","","110.07","","90","","389.65","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Spodumene","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiAl","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008441","9.593","","8.584","","5.284","","90","","110.22","","90","","408.303","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ga Li O6 Si2 -","- Ga Li O6 Si2 -","- Ga4 Li4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiGa","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008442","9.57","","8.582","","5.268","","90","","110.18","","90","","406.1","","","","335","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cr Li O6 Si2 -","- Cr Li O6 Si2 -","- Cr4 Li4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiCr Sample: T = 335 K","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008443","9.657","","8.623","","5.287","","90","","110.15","","90","","413.314","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Li O6 Si2 V -","- Li O6 Si2 V -","- Li4 O24 Si8 V4 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiV","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008444","9.664","","8.66","","5.293","","90","","110.19","","90","","415.753","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe Li O6 Si2 -","- Fe Li O6 Si2 -","- Fe4 Li4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiFe","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008445","9.678","","8.697","","5.3","","90","","110.15","","90","","418.795","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0.873 Li O6 Sc0.127 Si2 -","- Fe0.873 Li O6 Sc0.127 Si2 -","- Fe3.492 Li4 O24 Sc0.508 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: ScFe90","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008446","9.686","","8.718","","5.308","","90","","110.2","","90","","420.652","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0.826 Li O6 Sc0.177 Si2 -","- Fe0.826 Li O6 Sc0.177 Si2 -","- Fe3.304 Li4 O24 Sc0.708 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: ScFe75","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008447","9.704","","8.737","","5.312","","90","","110.2","","90","","422.671","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0.739 Li O6 Sc0.261 Si2 -","- Fe0.739 Li O6 Sc0.261 Si2 -","- Fe2.956 Li4 O24 Sc1.044 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: ScFe70 Note: y(O3) changed to match reported bond lengths","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008448","9.723","","8.795","","5.322","","90","","110.25","","90","","426.975","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0.573 Li O6 Sc0.426 Si2 -","- Fe0.573 Li O6 Sc0.426 Si2 -","- Fe2.292 Li4 O24 Sc1.704 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: ScFe50","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008449","9.747","","8.846","","5.335","","90","","110.28","","90","","431.479","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0.385 Li O6 Sc0.614 Si2 -","- Fe0.385 Li O6 Sc0.614 Si2 -","- Fe1.54 Li4 O24 Sc2.456 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: ScFe40","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008450","9.794","","8.917","","5.351","","90","","110.36","","90","","438.124","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0.087 Li O6 Sc0.913 Si2 -","- Fe0.087 Li O6 Sc0.913 Si2 -","- Fe0.348 Li4 O24 Sc3.652 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: ScFe25","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008451","9.805","","8.949","","5.358","","90","","110.39","","90","","440.68","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Li O6 Sc Si2 -","- Li O6 Sc Si2 -","- Li4 O24 Sc4 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: ScPx","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008452","9.805","","8.949","","5.358","","90","","110.39","","90","","440.68","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Li O6 Sc Si2 -","- Li O6 Sc Si2 -","- Li4 O24 Sc4 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiSc2","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008453","9.801","","8.965","","5.361","","90","","110.38","","90","","441.563","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- In0.203 Li O6 Sc0.787 Si2 -","- In0.203 Li O6 Sc0.787 Si2 -","- In0.812 Li4 O24 Sc3.148 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiIn25","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008454","9.801","","8.985","","5.366","","90","","110.38","","90","","442.961","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- In0.289 Li O6 Sc0.71 Si2 -","- In0.289 Li O6 Sc0.71 Si2 -","- In1.156 Li4 O24 Sc2.84 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiIn50","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008455","9.802","","9.005","","5.37","","90","","110.41","","90","","444.237","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- In0.553 Li O6 Sc0.447 Si2 -","- In0.553 Li O6 Sc0.447 Si2 -","- In2.212 Li4 O24 Sc1.788 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiIn65","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008456","9.806","","9.035","","5.377","","90","","110.46","","90","","446.335","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- In0.815 Li O6 Sc0.185 Si2 -","- In0.815 Li O6 Sc0.185 Si2 -","- In3.26 Li4 O24 Sc0.74 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiIn90 Note: y(Si) changed to match reported bond lengths","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9008457","9.807","","9.055","","5.383","","90","","110.49","","90","","447.78","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- In Li O6 Si2 -","- In Li O6 Si2 -","- In4 Li4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.","Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes Me3+ = Al, Ga, Cr, V, Fe, Sc, and In Sample: LiIn100","Zeitschrift fur Kristallographie","2004","219","","278","294","10.1524/zkri.219.5.278.32748","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9009217","2.456","","8.042","","6.093","","90","","90","","90","","120.344","","","","300","","","","121000000","","","","","3","C m c m","-C 2c 2","63","","","","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.25","","Murakami, M.; Hirose, K.; Kawamura, K.; Sata, N.; Ohishi, Y.","Post-perovskite phase transition in MgSiO3 Sample: P = 121 GPa, T = 300 K Note: CaIrO3-type structure from ab initio calculations using observed cell parameters","Science","2004","304","","855","858","10.1126/science.1095932","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009429","11.65","","4.922","","4.674","","90","","90","","90","","268.013","","","","","","","","","","","","Khibina alkaline massif, Kola Peninsula, Russia","4","P m n 21","P 2ac -2","31","","","Clinobarylite","- Ba Be2 O7 Si2 -","- Ba Be2 O7 Si2 -","- Ba2 Be4 O14 Si4 -","2","0.5","","Krivovichev, S. V.; Yakovenchuk, V. N.; Armbruster, T.; Mikhailova, Y.; Pakhomovsky, Y. A.","Clinobarylite, BaBe2Si2O7: Structure refinement, and revision of symmetry and physical properties Locality: Khibina alkaline massif, Kola Peninsula, Russia","Neues Jahrbuch fur Mineralogie, Monatshefte","2004","2004","","373","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009747","11.116","","11.116","","11.116","","90","","90","","90","","1373.55","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Senarmontite","- O3 Sb2 -","- O3 Sb2 -","- O48 Sb32 -","16","0.0833333","","Whitten, A. E.; Dittrich, B.; Spackman, M. A.; Turner, P.; Brown, T. C.","Charge density analysis of two polymorphs of antimony(III) oxide","Dalton Transactions","2004","2004","","23","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009748","4.8996","","12.449","","5.4103","","90","","90","","90","","330.002","","","","","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","Valentinite","- O3 Sb2 -","- O3 Sb2 -","- O12 Sb8 -","4","0.5","","Whitten, A. E.; Dittrich, B.; Spackman, M. A.; Turner, P.; Brown, T. C.","Charge density analysis of two polymorphs of antimony(III) oxide","Dalton Transactions","2004","2004","","23","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009816","18.376","","9.587","","10.575","","90","","90.12","","90","","1863","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Br Hg3 I Te2 -","- Br Hg3 I Te2 -","- Br8 Hg24 I8 Te16 -","8","2","","Minets, Y. V.; Voroshilov, Y. V.; Pan'ko, V. V.","The structures of mercury chalcogenhalogenides Hg3X2Hal2","Journal of Alloys and Compounds","2004","367","","109","114","10.1016/j.jallcom.2003.08.020","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009817","13.32","","13.32","","4.465","","90","","90","","90","","792.191","","","","","","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","Arzakite","- Br3 Hg6 I S4 -","- Br3 Hg6 I S4 -","- Br6 Hg12 I2 S8 -","2","0.25","","Minets, Y. V.; Voroshilov, Y. V.; Pan'ko, V. V.","The structures of mercury chalcogenhalogenides Hg3X2Hal2 Note: synthetic, superstructure","Journal of Alloys and Compounds","2004","367","","109","114","10.1016/j.jallcom.2003.08.020","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9010007","8.722","","9.878","","10.1187","","90","","90","","90","","871.786","","","","","","","","","","","","Kreuzberg, Pleystein, Barvaria","4","P b c a","-P 2ac 2ab","61","","","Strengite","- Fe H4 O6 P -","- Fe H4 O6 P -","- Fe8 H32 O48 P8 -","8","1","","Taxer, K.; Bartl, H.","On the dimorphy between the variscite and clinovariscite group: refined finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O Note: x(O3) corrected to match reported bond lengths","Crystal Research and Technology","2004","39","","1080","1088","10.1002/crat.200410293","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010008","5.335","","9.808","","8.72","","90","","90.54","","90","","456.26","","","","","","","","","","","","Kreuzberg, Pleystein, Barvaria","4","P 1 21/n 1","-P 2yn","14","","","Strengite","- Fe H4 O6 P -","- Fe H4 O6 P -","- Fe4 H16 O24 P4 -","4","1","","Taxer, K.; Bartl, H.","On the dimorphy between the variscite and clinovariscite group: refined finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O","Crystal Research and Technology","2004","39","","1080","1088","10.1002/crat.200410293","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9010569","5.6282","","5.6282","","5.6282","","90","","90","","90","","178.282","","","","","","","","","","","","Bastnas deposit, Vastmanland, Sweden","6","F m -3 m","-F 4 2 3","225","","","Haleniusite-(La)","- Ce0.45 F0.88 La0.46 Nd0.07 O1.12 Pr0.02 -","- Ce0.45 F0.88 La0.46 Nd0.07 O1.12 Pr0.02 -","- Ce1.8 F3.52 La1.84 Nd0.28 O4.48 Pr0.08 -","4","0.0208333","","Holtstam, D.; Grins, J.; Nysten, P.","Haleniusite-(La) from the Bastnas deposit, Vastmanland, Sweden: A new REE oxyfluoride mineral species","The Canadian Mineralogist","2004","42","","1097","1103","10.2113/gscanmin.42.4.1097","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011079","8.7684","","5.6237","","7.2039","","90","","90","","90","","355.23","","","","120","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","","- Cl K O4 -","- Cl K O4 -","- Cl4 K4 O16 -","4","0.5","","Marabello, D.; Bianchi, R.; Gervasio, G.; Cargnoni, F.","An experimental (120K) and theoretical electron-density study of KMnO4 and KClO4 Locality: synthetic Note: potassium perchlorate T = 120 K","Acta Crystallographica, Section A","2004","60","5","494","501","10.1107/S0108767304015260","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011389","23.8384","","11.0248","","16.9332","","90","","118.005","","90","","3929.18","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Lasalite","- H40 Mg2 Na2 O48 V10 -","- H40 Mg2 Na2 O48 V10 -","- H160 Mg8 Na8 O192 V40 -","4","0.5","","Iida, A.; Ozeki, T.","Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O","Acta Crystallographica, Section C","2004","60","","i43","i46","10.1107/S0108270104004676","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011390","10.4834","","10.7309","","21.2293","","90.751","","97.866","","103.663","","2296.24","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- H54.684 Mg3 O56 V10 -","- H54.684 Mg3 O56 V10 -","- H109.368 Mg6 O112 V20 -","2","1","","Iida, A.; Ozeki, T.","Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O","Acta Crystallographica, Section C","2004","60","","i43","i46","10.1107/S0108270104004676","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011732","15.085","","15.085","","15.085","","90","","90","","90","","3432.7","","","","","","","","","","","","Bellerberg volcano lava field, 2 km N of Mayen,","7","F d -3 :2","-F 2uv 2vw 3","203","","","Rondorfite","- Al0.06 Ca8 Cl1.858 Fe0.028 Mg0.912 O16.142 Si4 -","- Al0.48 Ca64 Cl14.864 Fe0.224 Mg7.296 O129.136 Si32 -","- Al0.48 Ca64 Cl14.864 Fe0.224 Mg7.296 O129.136 Si32 -","","","","Mihajlovic, T.; Lengauer, C. L.; Ntaflos, T.; Lolitsch, U.; Tillmanns, E.","Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany Locality: Bellerberg volcano lava field, 2 km N of Mayen, Eastern Eifel volcanic area, Eifel, Germany","Neues Jahrbuch fur Mineralogie, Abhandlungen","2004","179","","265","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011733","9.997","","9.997","","14.09","","90","","90","","120","","1219.5","","","","","","","","","","","","Bellerberg volcano lava field, 2 km N of Mayen,","9","P 6/m c c","-P 6 2c","192","","","Almarudite","- Al0.786 Be2.214 Fe0.62 K0.928 Mg0.322 Mn1.058 Na0.2 O30 Si12 -","- Al0.786 Be2.214 Fe0.62 K0.928 Mg0.322 Mn1.058 Na0.2 O30 Si12 -","- Al1.572 Be4.428 Fe1.24 K1.856 Mg0.644 Mn2.116 Na0.4 O60 Si24 -","2","0.0833333","","Mihajlovic, T.; Lengauer, C. L.; Ntaflos, T.; Lolitsch, U.; Tillmanns, E.","Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany Locality: Bellerberg volcano lava field, 2 km N of Mayen, Eastern Eifel volcanic area, Eifel, Germany","Neues Jahrbuch fur Mineralogie, Abhandlungen","2004","179","","265","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011734","12.0343","","12.0343","","12.0343","","90","","90","","90","","1742.86","","","","","","","","","","","","Bellerberg volcano lava field, 2 km N of Mayen,","8","I -4 3 d","I -4bd 2c 3","220","","","Wadalite","- Al3.688 Ca6 Cl2.847 Fe0.807 Mg0.339 O16 Si2.09 Ti0.076 -","- Al14.752 Ca24 Cl11.388 Fe3.228 Mg1.356 O64 Si8.36 Ti0.304 -","- Al14.752 Ca24 Cl11.388 Fe3.228 Mg1.356 O64 Si8.36 Ti0.304 -","","","","Mihajlovic, T.; Lengauer, C. L.; Ntaflos, T.; Lolitsch, U.; Tillmanns, E.","Two new minerals, rondorfite, Ca8Mg[SiO4]4Cl2, and almarudite, K(box,Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30], and a study of iron-rich wadalite, Ca12[(Al8Si4Fe2)O32]C16, from the Bellerberg (Bellberg) volcano, Eifel, Germany Locality: Bellerberg volcano lava field, 2 km N of Mayen, Eastern Eifel volcanic area, Eifel, Germany","Neues Jahrbuch fur Mineralogie, Abhandlungen","2004","179","","265","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011770","14.2828","","14.2828","","30.0222","","90","","90","","120","","5303.96","","","","","","","","","","","","Ilimaussaq alkaline complex, South Greenland","14","R 3 m :H","R 3 -2""","160","","","Taseqite","- Ca5.151 Cl1.74 Fe1.932 Hf0.051 K0.171 Mn1.503 Na10.65 Nb1.27 O76.401 Si24.45 Sn0.03 Sr3.87 Y0.138 Zr2.88 -","- Ca5.151 Cl1.74 Fe1.932 Hf0.051 K0.171 Mn1.503 Na10.719 Nb1.27 O76.401 Si24.45 Sn0.03 Sr3.87 Y0.138 Zr2.88 -","- Ca15.453 Cl5.22 Fe5.796 Hf0.153 K0.513 Mn4.509 Na32.157 Nb3.81 O229.203 Si73.35 Sn0.09 Sr11.61 Y0.414 Zr8.64 -","3","0.166667","","Petersen, O. V.; Johnsen, O.; Gault, R. A.; Niedermayr, G.; Grice, J. D.","Taseqite, a new member of the eudialyte group from the Ilimaussaq alkaline complex, South Greenland Locality: Ilimaussaq alkaline complex, South Greenland Note: water and OHs located at O20 and O21","Neues Jahrbuch fur Mineralogie, Monatshefte","2004","2004","","83","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9011771","10.002","","18.054","","5.319","","90","","103.9","","90","","932.358","","","","","","","","","","","","Ilimaussaq, Greenland","10","C 1 2/m 1","-C 2y","12","","","Potassicarfvedsonite","- F0.4 Fe4.46 H1.6 K0.684 Li0.28 Mn0.2 Na2.216 O23.6 Si8 Ti0.06 -","- F0.4 Fe4.46 H1.6 K0.684 Li0.28 Mn0.2 Na2.216 O23.6 Si8 Ti0.06 -","- F0.8 Fe8.92 H3.2 K1.368 Li0.56 Mn0.4 Na4.432 O47.2 Si16 Ti0.12 -","2","0.25","","Pekov, I. V.; Chukanov, N. V.; Lebedeva, Y. S.; Pushcharovsky, D. Y.; Ferraris, G.; Gula, A.; Zadov, A. E.; Novakova, A. A.; Petersen, O. V.","Potassicarfvedsonite, KNa2Fe2+4Fe3+Si8O22(OH)2,a K-dominant amphibole of the arfvedsonite series from agpaitic pegmatites - Mineral data, structure refinement and disorder in the A site","Neues Jahrbuch fur Mineralogie, Monatshefte","2004","2004","","555","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011825","20.117","","5.185","","13.978","","90","","107.07","","90","","1393.77","","","","","","","","","","","","Clara mine, Black Forest, Germany","7","P 1 2/c 1","-P 2yc","13","","","Kidwellite","- As0.476 Cu0.356 Fe9 H19 Na O38 P5.524 -","- As0.476 Cu0.356 Fe9 H17 Na O38 P5.524 -","- As0.952 Cu0.712 Fe18 H34 Na2 O76 P11.048 -","2","0.5","","Kolitsch, U.","The crystal structures of kidwellite and 'laubmannite', two complex fibrous iron phosphates","Mineralogical Magazine","2004","68","","147","165","10.1180/0026461046810177","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:11",""
"9011826","33.256","","8.482","","14.191","","90","","104.145","","90","","3881.59","","","","","","","","","","","","Johanngeorgenstadt, Saxony, Germany","5","C 1 2 1","C 2y","5","","","Petewilliamsite","- As10 Co4.5 Cu0.8 Ni4.7 O35 -","- As60 Co27 Cu4.8 Ni28.2 O210 -","- As60 Co27 Cu4.8 Ni28.2 O210 -","","","","Roberts, A. C.; Burns, P. C.; Gault, R. A.; Criddle, A. J.; Feinglos, M. N.","Petewilliamsite, (Ni,Co)30(As2O7)15, a new mineral from Johanngeorgenstadt, Saxony, Germany: description and crystal structure","Mineralogical Magazine","2004","68","","231","240","10.1180/0026461046820183","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9011827","3.8932","","3.8932","","22.803","","90","","90","","90","","345.625","","","","","","","","","","","","Kombat mine, Namibia","4","I 4/m m m","-I 4 2","139","","","Asisite","- Cl O4 Pb3.5 Si0.5 -","- Cl2 O8 Pb7 Si -","- Cl2 O8 Pb7 Si -","","","","Welch, M. D.","Pb-Si ordering in sheet-oxychloride minerals: the super-structure of asisite, nominally Pb7SiO8Cl2 Locality: Kombat mine, Namibia","Mineralogical Magazine","2004","68","","247","254","10.1180/0026461046820185","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9011942","10.69","","10.31","","7.407","","90","","92.4","","90","","815.638","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Kapustinite","- H3 Mn0.24 Na5.29 Nd0.1 O18 Si6 Ti0.05 Zr0.91 -","- H3 Mn0.24 Na5.29 Nd0.1 O18 Si6 Ti0.05 Zr0.91 -","- H6 Mn0.48 Na10.58 Nd0.2 O36 Si12 Ti0.1 Zr1.82 -","2","0.25","","Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.; Shchegol'kova, L. V.","Crystal structure of kapustinite Na5.5Mn0.25Zr[Si6O16(OH)2] - a new mineral of the lovozerite group","Doklady Akademii Nauk SSSR","2004","396","","680","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012213","25.1754","","6.9316","","11.2189","","90","","90","","90","","1957.76","","","","","","","","","","","","Synthetic","6","P n m a","-P 2ac 2n","62","","","Hazenite","- H28 K Mg2 Na O22 P2 -","- H28 K Mg2 Na O22 P2 -","- H112 K4 Mg8 Na4 O88 P8 -","4","0.5","","Yang, H.; Sun, H. J.","Crystal structure of a new phosphate compound, Mg2KNa(PO4)2*14H2O","Journal of Solid State Chemistry","2004","177","","2991","2997","10.1016/j.jssc.2004.05.008","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012284","5.3956","","5.5821","","7.7568","","90","","90.181","","90","","233.624","","","","","","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","","Cryolite","- Al F6 Na3 -","- Al2 F12 Na6 -","- Al2 F12 Na6 -","","","","Zhou, Q.; Kennedy, B. J.","High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6 Locality: synthetic Sample: T = room temperature Note: reported and calculated bond lengths disagree","Journal of Solid State Chemistry","2004","177","","654","659","10.1016/j.jssc.2003.08.012","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012285","7.935","","7.935","","7.935","","90","","90","","90","","499.621","","","","873.15","","","","","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Cryolite","- Al F6 Na3 -","- Al4 F24 Na12 -","- Al4 F24 Na12 -","","","","Zhou, Q.; Kennedy, B. J.","High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6 Locality: synthetic Sample: T = 600 C, ordered model","Journal of Solid State Chemistry","2004","177","","654","659","10.1016/j.jssc.2003.08.012","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012286","7.935","","7.935","","7.935","","90","","90","","90","","499.621","","","","873.15","","","","","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Cryolite","- Al F6 Na3 -","- Al4 F24 Na12 -","- Al4 F24 Na12 -","","","","Zhou, Q.; Kennedy, B. J.","High-temperature powder synchrotron diffraction studies of synthetic cryolite Na3AlF6 Locality: synthetic Sample: T = 600 C, disordered model","Journal of Solid State Chemistry","2004","177","","654","659","10.1016/j.jssc.2003.08.012","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012352","11.6424","","6.5639","","11.771","","90","","91.09","","90","","899.372","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl8 Cu5 H8 K2 O6 -","- Cl16 Cu10 H16 K4 O12 -","- Cl16 Cu10 H16 K4 O12 -","","","","Kahlenberg, V.","On the crystal structure of K2Cu5Cl8(OH)4*2H2O","Zeitschrift fur Anorganische und Allgemeine Chemie","2004","630","","900","903","10.1002/zaac.200400029","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012402","21.77","","12.327","","10.72","","90","","92.85","","90","","2873.25","","","","","","","","","","","","Leogang polymetallic ore district, Salzburg province, Austria","5","C 1 2/c 1","-C 2yc","15","","","Leogangite","- As4 Cu10 H22 O34 S -","- As4 Cu10 H22 O34 S -","- As16 Cu40 H88 O136 S4 -","4","0.5","","Lengauer, C. L.; Giester, G.; Kirchner, E.","Leogangite, Cu10(AsO4)4(SO4)(OH)6*8H2O, a new mineral from the Leogang mining district, Salzburg province, Austria Locality: Leogang polymetallic ore district, Salzburg province, Austria","Mineralogy and Petrology","2004","81","","187","201","10.1007/s00710-004-0032-x","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012660","14.596","","14.249","","15.852","","90","","117.27","","90","","2930.45","","","","","","","","","","","","Khibiny massif, Mt Khibinpakhchorr, Russia","10","C 1 2/m 1","-C 2y","12","","","Paratsepinite-Na","- Ba0.05 Ca0.4 H6.136 K0.4 Na1.4 Nb1.6 O35.3 Si8 Sr0.8 Ti2.4 -","- Ba0.05 Ca0.4 H14.6 K0.4 Na1.4 Nb1.6 O35.3 Si8 Sr0.8 Ti2.4 -","- Ba0.2 Ca1.6 H58.4 K1.6 Na5.6 Nb6.4 O141.2 Si32 Sr3.2 Ti9.6 -","4","0.5","","Organova, N. I.; Krivovichev, S. V.; Shlyukova, Z. V.; Zadov, A. E.; Rozhdestvenskaya, I. V.; Ivanova, T. I.","Structure of new mineral paratsepinite-Na and its place in the labuntsovite group","Crystallography Reports","2004","49","","946","952","10.1134/1.1828138","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012661","22.301","","10.514","","9.669","","90","","90","","90","","2267.12","","","","","","","","","","","","Diabazavoe occurence, Zhitkovichi District, Belarus","14","A m a 2","A 2 -2a","40","","","Byelorussite-(Ce)","- Ba1.9 Ce2 F0.7 Fe0.16 H2.3 K0.05 Mg0.05 Mn0.52 Na0.95 O27.3 Si8 Sr0.1 Ti2 Zn0.27 -","- Ba1.9 Ce2 F0.7 Fe0.16 H2.3 K0.05 Mg0.05 Mn0.52 Na0.95 O27.3 Si8 Sr0.1 Ti2 Zn0.27 -","- Ba7.6 Ce8 F2.8 Fe0.64 H9.2 K0.2 Mg0.2 Mn2.08 Na3.8 O109.2 Si32 Sr0.4 Ti8 Zn1.08 -","4","0.5","","Zubkova, N. V.; Pushcharovsky, D. Y.; Giester, G.; Tillmanns, E.; Pekov, I. V.; Krotova, O. D.","Crystal structure of byelorussite-(Ce) NaMnBa2Ce2(TiO)2[Si4O12]2(F,OH)*H2O","Crystallography Reports","2004","49","","964","968","10.1134/1.1828140","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9012685","12.856","","12.856","","42.256","","90","","90","","120","","6048.26","","","","","","","","","","","","Sacrofano, Biachella Valley, Latium, Italy","9","P 3 1 c","P 3 -2c","159","","","Giuseppettite","- Al24 Ca2.665 Cl H10 K8.076 Na21.256 O118.45 S5 Si24 -","- Al24 Ca2.665 Cl1.00001 H4.9 K8.076 Na21.256 O118.45 S5 Si24 -","- Al48 Ca5.33 Cl2.00002 H9.8 K16.152 Na42.512 O236.9 S10 Si48 -","2","0.333333","","Bonaccorsi, E.","The crystal structure of giuseppettite, the 16-layer member of the cancrinite- sodalite group Locality: Sacrofano, Biachella Valley, Latium, Italy","Microporous and Mesoporous Materials","2004","73","","129","136","10.1016/j.micromeso.2004.05.007","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9012775","5.541","","5.541","","7.02","","90","","90","","120","","186.657","","","","","","","","","","","","","8","P 3","P 3","143","","","Bario-olgite","- Ba0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66 -","- Ba0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66 -","- Ba0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66 -","1","0.333333","","Pekov, I. V.; Chukanov, N. V.; Kulikova, I. M.; Zubkova, N. V.; Krotova, O. D.; Sorokina, N. I.; Pushcharovsky, D. Y.","New mineral bario-olgite, Ba(Na,Sr,REE)2Na[PO4]2 and its crystal structure","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2004","133","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012776","14.381","","13.889","","7.793","","90","","117.52","","90","","1380.43","","","","","","","","","","","","Lepkhe-Nelm Mt, Lovozero, Kola Peninsula, Russia","15","C 1 m 1","C -2y","8","","","Lepkhenelmite-Zn","- Al0.112 Ba0.92 Ca0.26 Fe0.04 H10.667 K0.54 Mg0.01 Mn0.15 Na0.24 Nb1.024 O31.222 Si7.888 Sr0.22 Ti2.968 Zn0.58 -","- Al0.112 Ba0.9197 Ca0.2602 Fe0.04 H6.444 K0.5402 Mg0.01 Mn0.15 Na0.2398 Nb1.024 O31.222 Si7.888 Sr0.2201 Ti2.968 Zn0.58 -","- Al0.224 Ba1.8394 Ca0.5204 Fe0.08 H12.888 K1.0804 Mg0.02 Mn0.3 Na0.4796 Nb2.048 O62.444 Si15.776 Sr0.4402 Ti5.936 Zn1.16 -","2","0.5","","Pekov, I. V.; Chukanov, N. V.; Shilov, G. V.; Kononkova, N. N.; Zadov, A. E.","Lepkhenelmite-Zn, Ba2Zn(Ti,Nb)4[Si4O12]2(O,OH)4*7(H2O) - a new mineral of the labuntsovite group and its crystal structure Locality: Lepkhe-Nelm Mt, Lovozero, Kola Peninsula, Russia Note: y(M1) corrected","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2004","133","","49","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9012777","17.8098","","5.1228","","8.8665","","90","","92.141","","90","","808.38","","","","","","","","","","","","Kara-Chagyr, Kyrgystan","6","P 1 21/n 1","-P 2yn","14","","","Ankinovichite","- Al4 H16 Ni0.72 O20 V1.88 Zn0.28 -","- Al4 H16 Ni0.72 O20 V1.88 Zn0.28 -","- Al8 H32 Ni1.44 O40 V3.76 Zn0.56 -","2","0.5","","Karpenko, V. Y.; Pautov, L. A.; Sokolova, E. V.; Hawthorne, F. C.; Agakhanov, A. A.; Dikaya, T. V.","Ankinovichite - the nickel analogue of alvanite - a new mineral from Kurumsak (Kazakhstan) and Kara-Chagyr (Kyrgystan) Locality: Kara-Chagyr, Kyrgystan Note: isostructural with alvanite","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2004","133","","59","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012802","13.009","","13.009","","13.009","","90","","90","","90","","2201.57","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- B1.095 Cs0.814 O6 Si1.977 -","- B17.52 Cs13.024 O96 Si31.632 -","- B17.52 Cs13.024 O96 Si31.632 -","","","","Bubnova, R. S.; Stepanov, N. K.; Levin, A. A.; Filatov, S. K.; Paufler, P.; Meyer, D. C.","Crystal structure and thermal behaviour of boropollucite CsBSi2O6","Solid State Sciences","2004","6","","629","627","10.1016/j.solidstatesciences.2004.03.015","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9012803","12.1","","3.57","","6.183","","90","","120.73","","90","","229.584","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co3 Se4 -","- Co6 Se8 -","- Co6 Se8 -","","","","Garcia-Garcia F J; Larsson, A. K.; Noren, L.; Withers, R. L.","The crystal structures of Co3Se4 and Co7Se8 Note: single crystal","Solid State Sciences","2004","6","","725","733","10.1016/j.solidstatesciences.2004.03.030","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9012804","11.9309","","3.5732","","6.1359","","90","","119.325","","90","","228.062","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co3 Se4 -","- Co6 Se8 -","- Co6 Se8 -","","","","Garcia-Garcia F J; Larsson, A. K.; Noren, L.; Withers, R. L.","The crystal structures of Co3Se4 and Co7Se8 Note: powder refinement","Solid State Sciences","2004","6","","725","733","10.1016/j.solidstatesciences.2004.03.030","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9012805","12.367","","7.1402","","8.079","","90","","139.935","","90","","459.184","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co6.84 Se8 -","- Co13.68 Se16 -","- Co13.68 Se16 -","","","","Garcia-Garcia F J; Larsson, A. K.; Noren, L.; Withers, R. L.","The crystal structures of Co3Se4 and Co7Se8","Solid State Sciences","2004","6","","725","733","10.1016/j.solidstatesciences.2004.03.030","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9012806","12.4039","","7.1793","","8.1756","","90","","139.903","","90","","468.924","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co6.8 Se8 -","- Co13.6 Se16 -","- Co13.6 Se16 -","","","","Garcia-Garcia F J; Larsson, A. K.; Noren, L.; Withers, R. L.","The crystal structures of Co3Se4 and Co7Se8","Solid State Sciences","2004","6","","725","733","10.1016/j.solidstatesciences.2004.03.030","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9012813","14.42","","9.87","","23.33","","90","","105.92","","90","","3193.1","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Al Ge H4 K0.9 Na0.1 O5.666 -","- Al Ge H3.332 K0.9 Na0.1 O5.666 -","- Al24 Ge24 H79.968 K21.6 Na2.4 O135.984 -","24","3","","Celestian, A. J.; Parise, J. B.; Goodell, C.; Tripathi, A.; Hanson, J.","Time-resolved diffraction studies of ion exchange: K(+) and Na(+) exchange into (Al,Ge) gismondine (GIS)Na24Al24Ge24O96*40(H2O) and K8Al8Ge8O32*8(H2O)","Chemistry of Materials","2004","16","","2244","2254","10.1021/cm034746i","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012902","8.142","","9.954","","6.983","","100.21","","114.13","","105.87","","469.098","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","Fenaksite","- Fe K Na O10 Si4 -","- Fe2 K2 Na2 O20 Si8 -","- Fe2 K2 Na2 O20 Si8 -","","","","Rozhdestvenskaya, I. V.; Bannova, I. I.; Nikishova, L. V.; Soboleva, T. V.","The crystal structure of fenaksite K2Na2Fe2Si8O20","Doklady Earth Sciences","2004","398","","1029","1033","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:22",""
"9012921","10.576","","7.265","","10.931","","101.3","","96.98","","109.65","","759.496","","","","","","","","","","","","Fuka, Japan","4","P -1","-P 1","2","","","Jennite","- Ca9 H22 O32 Si6 -","- Ca9 H22 O32 Si6 -","- Ca9 H22 O32 Si6 -","1","0.5","","Bonaccorsi, E.; Merlino, S.; Taylor, H. F. W.","The crystal structure of jennite, Ca9Si6O18(OH)6*8H2O","Cement and Concrete Research","2004","34","","1481","1488","10.1016/j.cemconres.2003.12.033","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013159","5.833","","3.569","","6.658","","90","","90","","90","","138.606","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Andreyivanovite","- Cr Fe P -","- Cr4 Fe4 P4 -","- Cr4 Fe4 P4 -","","","","Kumar, S.; Krishnamurthy, A.; Srivastava, B. K.; Das, A.; Paranjpe, S. K.","Magnetization and neutron diffraction studies on FeCrP","Pramana - Journal of Physics","2004","63","","199","205","10.1007/BF02704973","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013450","9.5193","","11.5826","","5.482","","90","","90","","90","","604.436","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Pautovite","- Cs Fe2 S3 -","- Cs4 Fe8 S12 -","- Cs4 Fe8 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013451","9.2202","","11.2429","","5.445","","90","","90","","90","","564.438","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Fe2 Rb S3 -","- Fe8 Rb4 S12 -","- Fe8 Rb4 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013452","9.2202","","11.2429","","5.445","","90","","90","","90","","564.438","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","","- Fe2 Rb S3 -","- Fe8 Rb4 S12 -","- Fe8 Rb4 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Note: Rietveld refinement using FULLPROF Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013453","9.0415","","11.0298","","5.41771","","90","","90","","90","","540.286","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Rasvumite","- Fe2 K S3 -","- Fe8 K4 S12 -","- Fe8 K4 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013454","9.4144","","11.4632","","5.4691","","90","","90","","90","","590.221","","","","","","","","","","","","Synthetic","4","C m c m","-C 2c 2","63","","","Pautovite","- Cs0.5 Fe2 Rb0.5 S3 -","- Cs2 Fe8 Rb2 S12 -","- Cs2 Fe8 Rb2 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013455","9.1554","","11.1612","","5.4382","","90","","90","","90","","555.704","","","","","","","","","","","","Synthetic","4","C m c m","-C 2c 2","63","","","Rasvumite","- Fe2 K0.5 Rb0.5 S3 -","- Fe8 K2 Rb2 S12 -","- Fe8 K2 Rb2 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013456","9.3268","","11.3693","","5.4592","","90","","90","","90","","578.889","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","Rasvumite","- Cs0.5 Fe2 K0.5 S3 -","- Cs2 Fe8 K2 S12 -","- Cs2 Fe8 K2 S12 -","","","","Mitchell, R. H.; Ross, K. C.; Potter, E. G.","Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic","Journal of Solid State Chemistry","2004","177","","1867","1872","10.1016/j.jssc.2004.01.007","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9013471","11.347","","11.347","","5.935","","90","","90","","120","","661.78","","","","","","","","","","","","","5","P 63","P 6c","173","","","Lecoqite-(Y)","- C3 H12 Na3 O15 Y -","- C6 H24 Na6 O30 Y2 -","- C6 H24 Na6 O30 Y2 -","","","","Ben Ali, A.; Awaleh, M. O.; Leblanc, M.; Smiri, L. S.; Maisonneuve, V.; Houlbert, S.","Hydrothermal sythesis, crystal structure, thermal behaviour, IR and Raman spectroscopy of Na3Y(CO3)3*6H2O Locality: synthetic","Comptes Rendus Chimie","2004","7","","661","668","10.1016/j.crci.2004.03.007","","","","","","","","","","","","","","","","","","","","","has coordinates","176465","2020-10-21","18:00:00",""
"9013943","6.834","0.001","6.834","0.001","14.075","0.002","90","","90","","120","","569.284","","","","","","","","","","","","Mina Los Tres Presidentes, Sierra Gorda, Chile","5","R -3 m :H","-R 3 2""","166","","","Herbertsmithite","- Cl2 Cu3 H6 O6 Zn -","- Cl2 Cu3 H6 O6 Zn -","- Cl6 Cu9 H18 O18 Zn3 -","3","0.0833333","","Braithwaite, R. S. W.; Mereiter, K.; Paar, W. H.; Clark, A. M.","Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite Locality: Generosa mine, Sierra Gorda, Chile","Mineralogical Magazine","2004","68","","527","539","10.1180/0026461046830204","","","","","","","","","","","","","","","","","","","","","has coordinates","288043","2023-12-05","16:05:09",""
"9013944","6.834","","6.834","","14.075","","90","","90","","120","","569.284","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","Herbertsmithite","- Cl2 Cu3 H6 O6 Zn -","- Cl6 Cu9 H18 O18 Zn3 -","- Cl6 Cu9 H18 O18 Zn3 -","","","","Braithwaite, R. S. W.; Mereiter, K.; Paar, W. H.; Clark, A. M.","Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite Locality: Mina Los Tres Presidentes, Sierra Gorda, Chile","Mineralogical Magazine","2004","68","","527","539","10.1180/0026461046830204","","","","","","","","","","","","","","","","","","","","","has coordinates","176465","2020-10-21","18:00:00",""
"9014122","5.51","","5.5563","","15.567","","90","","90","","90","","476.587","","","","","","","","","","","","Synthetic","4","P b c m","-P 2c 2b","57","","","Lueshite","- Na1.74 Nb2 Nd0.09 O6 -","- Na6.96 Nb8 Nd0.36 O24 -","- Na6.96 Nb8 Nd0.36 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .58, Nd.09Na1.74Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014130","7.5505","","7.5505","","14.7104","","90","","90","","90","","838.641","","","","","","","","","","","","Dara-i-Pioz moraine, Tien-Shan Mountains, Tajikistan","13","P 4/m c c","-P 4 2c","124","","","Arapovite","- Ba0.02 Ca1.34 Ce0.02 Dy0.02 K0.52 Na0.68 Nd0.04 O20 Pr0.01 Si8 Sm0.01 Th0.26 U0.59 -","- Ba0.02 Ca1.34 Ce0.02 Dy0.02 K0.52 Na0.68 Nd0.04 O20 Pr0.01 Si8 Sm0.01 Th0.26 U0.59 -","- Ba0.04 Ca2.68 Ce0.04 Dy0.04 K1.04 Na1.36 Nd0.08 O40 Pr0.02 Si16 Sm0.02 Th0.52 U1.18 -","2","0.125","","Uvarova, Y. A.; Sokolova, E. V.; Hawthorne, F. C.; Agakhanov, A. A.; Pautov, L. A.","The crystal structure of arapovite, U4+(Ca,Na)2(K1-x_x)[Si8O20],x~0.5, a new mineral species of the steacyite group from the Dara-i-Pioz moraine, Tien-Shan Mountains, Tajikistan","The Canadian Mineralogist","2004","42","","1005","1011","10.2113/gscanmin.42.4.1005","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014156","6.5412","","6.5412","","4.558","","90","","90","","120","","168.896","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 30 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014174","6.7522","","6.7522","","4.74","","90","","90","","120","","187.154","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 0.0001 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014208","15.7713","","15.7713","","7.076","","90","","90","","120","","1524.24","","","","","","","","","","","","Koralpe, Austria","13","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.517 B3.54 Be0.03 Ca0.241 Fe0.189 H3.32 Li0.342 Mg0.009 Mn0.006 Na0.48 O31 Si5.13 Ti0.009 -","- Al8.517 B3.54 Be0.03 Ca0.241 Fe0.189 H3.32 Li0.342 Mg0.009 Mn0.006 Na0.48 O31 Si5.13 Ti0.009 -","- Al25.551 B10.62 Be0.09 Ca0.723 Fe0.567 H9.96 Li1.026 Mg0.027 Mn0.018 Na1.44 O93 Si15.39 Ti0.027 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T2","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014215","15.7537","","15.7537","","7.0707","","90","","90","","120","","1519.7","","","","","","","","","","","","Koralpe, Austria","14","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.697 B3.618 Be0.036 Ca0.29 Fe0.084 H3.41 K0.002 Li0.366 Mg0.006 Mn0.009 Na0.408 O31 Si4.992 Ti0.006 -","- Al8.697 B3.618 Be0.036 Ca0.29 Fe0.084 H3.41 K0.002 Li0.366 Mg0.006 Mn0.009 Na0.408 O31 Si4.992 Ti0.006 -","- Al26.091 B10.854 Be0.108 Ca0.87 Fe0.252 H10.23 K0.006 Li1.098 Mg0.018 Mn0.027 Na1.224 O93 Si14.976 Ti0.018 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T1","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014280","6.7472","","6.7472","","4.716","","90","","90","","120","","185.931","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 1.8 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014348","5.5007","","5.5621","","15.5373","","90","","90","","90","","475.371","","","","","","","","","","","","Synthetic","3","P b c m","-P 2c 2b","57","","","Lueshite","- Na Nb O3 -","- Na8 Nb8 O24 -","- Na8 Nb8 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .66, Na2Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014420","5.353","","5.353","","10.652","","90","","90","","90","","305.229","","","","","","","","","","","","Synthetic","4","I -4 2 m","I -4 2","121","","","Famatinite","- As0.264 Cu3 S4 Sb0.736 -","- As0.528 Cu6 S8 Sb1.472 -","- As0.528 Cu6 S8 Sb1.472 -","","","","Pfitzner, A.; Bernert, T.","The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3As0.3Sb0.7S4","Zeitschrift fur Kristallographie","2004","219","","20","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014466","5.4952","","5.6486","","7.8561","","90","","90","","90","","243.855","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Megawite","- Ca O3 Sn -","- Ca4 O12 Sn4 -","- Ca4 O12 Sn4 -","","","","Zhao, J.; Ross, N. L.; Angel, R. J.","Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 1.50 GPa","Physics and Chemistry of Minerals","2004","31","","299","305","10.1007/s00269-004-0391-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014494","6.6496","","6.6496","","4.638","","90","","90","","120","","177.604","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 14.4 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014569","17.015","","18.048","","18.394","","90","","90","","90","","5648.55","","","","","","","","","","","","Synthetic","6","P n n m","-P 2 2n","58","","","Linekite","- C24 H48 Ca12 K7.11 O112 U8 -","- C24 H48 Ca12 K7.11 O112 U8 -","- C48 H96 Ca24 K14.22 O224 U16 -","2","0.25","","Hughes Kubatko, K. A.; Burns, P. C.","The crystal structure of a novel uranyl tricarbonate, K2Ca3[(UO2)(CO3)3]2(H2O)6","The Canadian Mineralogist","2004","42","","997","1003","10.2113/gscanmin.42.4.997","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014599","7.399","","6.428","","6.145","","90","","90","","90","","292.261","","","","","","","","","","","","Synthetic","3","P m n 21","P 2ac -2","31","","","Enargite","- As Cu3 S4 -","- As2 Cu6 S8 -","- As2 Cu6 S8 -","","","","Pfitzner, A.; Bernert, T.","The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3AsS4","Zeitschrift fur Kristallographie","2004","219","","20","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014654","3.8972","","3.9086","","7.8057","","90","","90","","90","","118.901","","","","","","","","","","","","Synthetic","4","P m m m","-P 2 2","47","","","","- Na0.48 Nb2 Nd0.52 O6 -","- Na0.48 Nb2 Nd0.52 O6 -","- Na0.48 Nb2 Nd0.52 O6 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .16","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014763","6.6904","","6.6904","","4.667","","90","","90","","120","","180.914","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 8.8 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014783","6.5771","","6.5771","","4.593","","90","","90","","120","","172.066","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 22.6 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014794","3.921","","3.923","","7.8651","","90","","90","","90","","120.982","","","","","","","","","","","","Synthetic","4","P m m m","-P 2 2","47","","","","- La0.52 Na0.48 Nb2 O6 -","- La0.52 Na0.48 Nb2 O6 -","- La0.52 Na0.48 Nb2 O6 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .16","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014818","5.0135","","10.6044","","18.2828","","90","","90","","90","","972.008","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Hopeite","- H8 O12 P2 Zn3 -","- H32 O48 P8 Zn12 -","- H32 O48 P8 Zn12 -","","","","Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.","The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: alpha-hopeite","Chemistry - A European Journal","2004","10","","2795","2803","10.1002/chem.200305693","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014841","17.1925","","17.1925","","17.1925","","90","","90","","90","","5081.79","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Propane-ethanol-methane-hydrate","- C2.878 H11.38 O5 -","- C92.08 H364.16 O160 -","- C92.08 H364.16 O160 -","","","","Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R.","Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014909","17.175","","17.175","","17.175","","90","","90","","90","","5066.29","","","","","","","","","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Propane-hydrate","- C1.72 H18 O10 -","- C27.52 H368 O160 -","- C27.52 H368 O160 -","","","","Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R.","Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K","Journal of the American Chemical Society","2004","126","","9407","9412","10.1021/ja049247c","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014954","5.51","","5.5563","","15.567","","90","","90","","90","","476.587","","","","","","","","","","","","Synthetic","4","P b c m","-P 2c 2b","57","","","Lueshite","- La0.09 Na1.74 Nb2 O6 -","- La0.36 Na6.96 Nb8 O24 -","- La0.36 Na6.96 Nb8 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .58, La.09Na1.74Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015026","6.7169","","6.7169","","4.696","","90","","90","","120","","183.483","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 4.5 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015054","5.4538","","5.6162","","7.8006","","90","","90","","90","","238.93","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Megawite","- Ca O3 Sn -","- Ca4 O12 Sn4 -","- Ca4 O12 Sn4 -","","","","Zhao, J.; Ross, N. L.; Angel, R. J.","Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 5.18 GPa","Physics and Chemistry of Minerals","2004","31","","299","305","10.1007/s00269-004-0391-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015104","6.7277","","6.7277","","4.695","","90","","90","","120","","184.035","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 3.6 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015157","5.4676","","5.6267","","7.8186","","90","","90","","90","","240.536","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Megawite","- Ca O3 Sn -","- Ca4 O12 Sn4 -","- Ca4 O12 Sn4 -","","","","Zhao, J.; Ross, N. L.; Angel, R. J.","Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 3.94 GPa","Physics and Chemistry of Minerals","2004","31","","299","305","10.1007/s00269-004-0391-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015208","4.497479","","4.497479","","7.322382","","90","","90","","120","","128.269","","","","","","","","","","","","Kohen Station, Antarctica","2","P 63/m m c","-P 6c 2c","194","","","Ice","- H2 O -","- H8 O4 -","- H8 O4 -","","","","Fortes, A. D.; Wood, I. G.; Grigoriev, D.; Alfredsson, M.; Kipfstuhl, S.; Knight, K. S.; Smith, R. I.","No evidence for large-scale proton ordering in Antarctic ice from powder neutron diffraction Note: T = 100 K Note: known as ice-IH","Journal of Chemical Physics","2004","120","","11376","11379","10.1063/1.1765099","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"9015279","3.8809","","3.9049","","7.838","","90","","90","","90","","118.781","","","","","","","","","","","","Synthetic","3","P m m m","-P 2 2","47","","","","- Nb2 Nd0.67 O6 -","- Nb2 Nd0.67 O6 -","- Nb2 Nd0.67 O6 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = 0","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015412","5.0266","","10.606","","18.2946","","90","","90","","90","","975.324","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Hopeite","- H8 O13 P2 Zn3 -","- H28 O48 P8 Zn12 -","- H28 O48 P8 Zn12 -","","","","Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.","The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: beta-hopeite","Chemistry - A European Journal","2004","10","","2795","2803","10.1002/chem.200305693","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015550","7.80411","","7.82272","","7.9231","","90","","90","","90","","483.7","","","","","","","","","","","","Synthetic","4","C m m m","-C 2 2","65","Compound 3","","","- La0.741 Nb1.778 O6 Ti0.222 -","- La2.964 Nb7.112 O24 Ti0.888 -","- La2.964 Nb7.112 O24 Ti0.888 -","","","","Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A.","Solving Structural Problems of Ceramic Materials","Croatica Chemica Acta","2004","77","3","435","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015573","11.2041","","8.85114","","5.2718","","90","","115.328","","90","","472.544","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","Compound 1","","","- La Nb O6 Ti -","- La4 Nb4 O24 Ti4 -","- La4 Nb4 O24 Ti4 -","","","","Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A.","Solving Structural Problems of Ceramic Materials","Croatica Chemica Acta","2004","77","3","435","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015607","3.9105","","3.9197","","7.9142","","90","","90","","90","","121.309","","","","","","","","","","","","Synthetic","3","P m m m","-P 2 2","47","","","","- La0.67 Nb2 O6 -","- La0.67 Nb2 O6 -","- La0.67 Nb2 O6 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = 0","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015646","15.9013","","15.9013","","7.1213","","90","","90","","120","","1559.39","","","","","","","","","","","","Koralpe, Austria","13","R 3 m :H","R 3 -2""","160","","","Olenite","- Al7.452 B3.336 Be0.012 Ca0.145 Fe1.203 H6.19 Li0.189 Mg0.087 Mn0.024 Na0.632 O31 Si5.526 Ti0.027 -","- Al7.452 B3.336 Be0.012 Ca0.145 Fe1.203 H6.19 Li0.189 Mg0.087 Mn0.024 Na0.632 O31 Si5.526 Ti0.027 -","- Al22.356 B10.008 Be0.036 Ca0.435 Fe3.609 H18.57 Li0.567 Mg0.261 Mn0.072 Na1.896 O93 Si16.578 Ti0.081 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T5","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015651","5.5142","","5.6634","","7.88162","","90","","90","","90","","246.136","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Megawite","- Ca O3 Sn -","- Ca4 O12 Sn4 -","- Ca4 O12 Sn4 -","","","","Zhao, J.; Ross, N. L.; Angel, R. J.","Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 0.0 GPa","Physics and Chemistry of Minerals","2004","31","","299","305","10.1007/s00269-004-0391-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015681","5.5018","","5.5598","","15.551","","90","","90","","90","","475.688","","","","","","","","","","","","Synthetic","4","P b c m","-P 2c 2b","57","","","Lueshite","- Na1.86 Nb2 Nd0.05 O6 -","- Na7.44 Nb8 Nd0.2 O24 -","- Na7.44 Nb8 Nd0.2 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .62, Nd.05Na1.86Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015765","6.6193","","6.6193","","4.621","","90","","90","","120","","175.344","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 18.7 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015771","5.4824","","5.6384","","7.8387","","90","","90","","90","","242.31","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Megawite","- Ca O3 Sn -","- Ca4 O12 Sn4 -","- Ca4 O12 Sn4 -","","","","Zhao, J.; Ross, N. L.; Angel, R. J.","Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 2.61 GPa","Physics and Chemistry of Minerals","2004","31","","299","305","10.1007/s00269-004-0391-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015815","5.43626","","5.60235","","7.77743","","90","","90","","90","","236.868","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Megawite","- Ca O3 Sn -","- Ca4 O12 Sn4 -","- Ca4 O12 Sn4 -","","","","Zhao, J.; Ross, N. L.; Angel, R. J.","Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 6.73 GPa","Physics and Chemistry of Minerals","2004","31","","299","305","10.1007/s00269-004-0391-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015897","10.96305","","7.58996","","5.46833","","90","","90","","90","","455.015","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","Compound 2","","Aeschynite-(La)","- La0.924 Nb1.228 O6 Ti0.772 -","- La3.696 Nb4.912 O24 Ti3.088 -","- La3.696 Nb4.912 O24 Ti3.088 -","","","","Golobic, A.; Skapin, S. D.; Suvorov, D.; Meden, A.","Solving Structural Problems of Ceramic Materials","Croatica Chemica Acta","2004","77","3","435","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015928","15.8472","","15.8472","","7.0988","","90","","90","","120","","1543.91","","","","","","","","","","","","Koralpe, Austria","13","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.061 B3.354 Be0.024 Ca0.245 Fe0.669 H3.25 Li0.225 Mg0.039 Mn0.021 Na0.545 O31 Si5.352 Ti0.012 -","- Al8.061 B3.354 Be0.024 Ca0.245 Fe0.669 H3.25 Li0.225 Mg0.039 Mn0.021 Na0.545 O31 Si5.352 Ti0.012 -","- Al24.183 B10.062 Be0.072 Ca0.735 Fe2.007 H9.75 Li0.675 Mg0.117 Mn0.063 Na1.635 O93 Si16.056 Ti0.036 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015956","15.7959","","15.7959","","7.0815","","90","","90","","120","","1530.19","","","","","","","","","","","","Koralpe, Austria","13","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.367 B3.48 Be0.03 Ca0.252 Fe0.336 H3.31 Li0.273 Mg0.012 Mn0.015 Na0.478 O31 Si5.244 Ti0.009 -","- Al8.367 B3.48 Be0.03 Ca0.252 Fe0.336 H3.31 Li0.273 Mg0.012 Mn0.015 Na0.478 O31 Si5.244 Ti0.009 -","- Al25.101 B10.44 Be0.09 Ca0.756 Fe1.008 H9.93 Li0.819 Mg0.036 Mn0.045 Na1.434 O93 Si15.732 Ti0.027 -","3","0.166667","","Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.","Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T3","American Mineralogist","2004","89","","447","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015992","5.5043","","5.6558","","7.8687","","90","","90","","90","","244.962","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Megawite","- Ca O3 Sn -","- Ca4 O12 Sn4 -","- Ca4 O12 Sn4 -","","","","Zhao, J.; Ross, N. L.; Angel, R. J.","Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 0.738 GPa","Physics and Chemistry of Minerals","2004","31","","299","305","10.1007/s00269-004-0391-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016009","6.7108","","6.7108","","4.688","","90","","90","","120","","182.838","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 5.7 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016126","5.5189","","5.5458","","15.6313","","90","","90","","90","","478.423","","","","","","","","","","","","Synthetic","4","P b c m","-P 2c 2b","57","","","Lueshite","- La0.17 Na1.5 Nb2 O6 -","- La0.68 Na6 Nb8 O24 -","- La0.68 Na6 Nb8 O24 -","","","","Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.","Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .5, La.17Na1.5Nb2O6","Inorganic Materials","2004","40","","1324","1330","10.1007/s10789-005-0019-y","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016187","6.7031","","6.7031","","4.676","","90","","90","","120","","181.952","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 7.5 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016189","5.4448","","5.60887","","7.78906","","90","","90","","90","","237.871","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Megawite","- Ca O3 Sn -","- Ca4 O12 Sn4 -","- Ca4 O12 Sn4 -","","","","Zhao, J.; Ross, N. L.; Angel, R. J.","Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 5.98 GPa","Physics and Chemistry of Minerals","2004","31","","299","305","10.1007/s00269-004-0391-1","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016655","5.315","","5.315","","10.536","","90","","90","","90","","297.634","","","","","","","","","","","","Synthetic","4","I -4 2 m","I -4 2","121","","","Luzonite","- As0.67 Cu3 S4 Sb0.33 -","- As1.34 Cu6 S8 Sb0.66 -","- As1.34 Cu6 S8 Sb0.66 -","","","","Pfitzner, A.; Bernert, T.","The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3As0.7Sb0.3S4","Zeitschrift fur Kristallographie","2004","219","","20","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016681","6.6752","","6.6752","","4.649","","90","","90","","120","","179.398","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Xifengite","- Fe5 Si3 -","- Fe10 Si6 -","- Fe10 Si6 -","","","","Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.","Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 11 GPa","Solid State Sciences","2004","6","","673","678","10.1016/j.solidstatesciences.2004.03.027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017420","15.941","","11.877","","6.625","","90","","95.09","","90","","1249.37","","","","","","","","","","","","Pirineus mine, Minas Gerais, Brazil","10","C 1 2/c 1","-C 2yc","15","","","Greifensteinite","- Al0.14 Be2 Ca Fe1.176 H8 Mg0.096 Mn0.57 O17 P3 Zn0.36 -","- Al0.14 Be2 Ca Fe1.176 H8 Mg0.096 Mn0.57 O17 P3 Zn0.36 -","- Al0.56 Be8 Ca4 Fe4.704 H32 Mg0.384 Mn2.28 O68 P12 Zn1.44 -","4","0.5","","Barinova, A. V.; Rastsvetaeva, R. K.; Chukanov, N. V.; Pietraszko, A.","Refinement of the crystal structure of Zn-containing greifensteinite","Crystallography Reports","2004","49","","942","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017459","6.668","","9.879","","9.883","","73.53","","85.6","","86.93","","622.127","","","","","","","","","","","","Galileia, Minas Gerais, Brazil","9","P -1","-P 1","2","","","Atencioite","- Al0.1 Be4 Ca2 Fe2.5 H16 Mg2.2 Mn0.2 O34 P6 -","- Al0.1 Be4 Ca2 Fe2.5 H16 Mg2.2 Mn0.2 O34 P6 -","- Al0.1 Be4 Ca2 Fe2.5 H16 Mg2.2 Mn0.2 O34 P6 -","1","0.5","","Rastsvetaeva, R. K.; Barinova, A. V.; Chukanov, N. V.; Pietraszko, A.","Crystal structure of a magnesium-rich triclinic analogue of greifensteinite","Doklady Chemistry","2004","398","","191","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017803","11.8656","","6.8482","","12.8958","","90","","118.075","","90","","924.584","","","","11","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Pyrrhotite","- Fe7 S8 -","- Fe28 S32 -","- Fe28 S32 -","","","","Powell, A. V.; Vaqueiro, P.; Knight, K. S.; Chapon, L. C.; Sanchez, R. D.","Structure and magnetism in synthetic pyrrhotite Fe7S8: A powder neutron-diffraction study Note: T = 11 K","Physical Review","2004","","","014415","014412","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:23",""
"9017804","11.9258","","6.8822","","12.9245","","90","","118.015","","90","","936.49","","","","298","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Pyrrhotite","- Fe7 S8 -","- Fe28 S32 -","- Fe28 S32 -","","","","Powell, A. V.; Vaqueiro, P.; Knight, K. S.; Chapon, L. C.; Sanchez, R. D.","Structure and magnetism in synthetic pyrrhotite Fe7S8: A powder neutron-diffraction study Note: T = 298 K","Physical Review","2004","","","014415","014412","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:23",""
"9017814","8.5832","","13.0076","","7.1943","","90","","116.023","","90","","721.789","","","","","","","","","","","","Itrongay, Madagascar","6","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al0.9 Fe0.04 K0.895 Na0.105 O8 Si3.06 -","- Al3.6 Fe0.16 K3.58 Na0.42 O32 Si12.24 -","- Al3.6 Fe0.16 K3.58 Na0.42 O32 Si12.24 -","","","","Ackermann, S.; Kunz, M.; Armbruster, T.; Schefer, J.; Hanni, H.","Cation distribution in a Fe-bearing K-feldspar from Itrongay, Madagascar: A combined neutron- and X-ray single-crystal diffraction study Note: Combined X-Ray, Neutron diffraction data, cell parameters from X-Ray data","Schweizerische Mineralogische und Petrographische Mitteilungen","2004","84","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""
"9017815","8.5832","","13.0076","","7.1943","","90","","116.023","","90","","721.789","","","","","","","","","","","","Itrongay, Madagascar","6","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al0.9 Fe0.04 K0.895 Na0.105 O8 Si3.06 -","- Al3.6 Fe0.16 K3.58 Na0.42 O32 Si12.24 -","- Al3.6 Fe0.16 K3.58 Na0.42 O32 Si12.24 -","","","","Ackermann, S.; Kunz, M.; Armbruster, T.; Schefer, J.; Hanni, H.","Cation distribution in a Fe-bearing K-feldspar from Itrongay, Madagascar: A combined neutron- and X-ray single-crystal diffraction study Note: X-Ray diffraction data, occupancies taken from simultaneous data","Schweizerische Mineralogische und Petrographische Mitteilungen","2004","84","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""
"9017816","8.5992","","13.0277","","7.1926","","90","","116.056","","90","","723.877","","","","","","","","","","","","Itrongay, Madagascar","6","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al0.9 Fe0.04 K0.895 Na0.105 O8 Si3.06 -","- Al3.6 Fe0.16 K3.58 Na0.42 O32 Si12.24 -","- Al3.6 Fe0.16 K3.58 Na0.42 O32 Si12.24 -","","","","Ackermann, S.; Kunz, M.; Armbruster, T.; Schefer, J.; Hanni, H.","Cation distribution in a Fe-bearing K-feldspar from Itrongay, Madagascar: A combined neutron- and X-ray single-crystal diffraction study Note: Neutron diffraction data, occupancies taken from simultaneous data","Schweizerische Mineralogische und Petrographische Mitteilungen","2004","84","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""